USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1084 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 134 GLN : amide:sc= 0 K(o=-0.17,f=-2!) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.73) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 0.194 (180deg=-1.79) USER MOD Single : A 15 THR OG1 : rot -92:sc= 1.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.18 K(o=-1.2,f=-9.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 81:sc= 0.13 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 68:sc= 0.0658 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 60:sc= -0.132 USER MOD Single : A 44 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= -0.324 (180deg=-0.332) USER MOD Single : A 60 THR OG1 : rot -150:sc= 0.35 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 44:sc= 0.0871 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.011) USER MOD Single : A 79 THR OG1 : rot 174:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.056) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.214) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 162:sc= 1.24 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.694 K(o=0.69,f=-0.39) USER MOD Single : A 120 TYR OH : rot -27:sc= -2.67 USER MOD Single : A 121 ASN : amide:sc= 0.772 K(o=0.77,f=-4!) USER MOD Single : A 127 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 132 THR OG1 : rot -170:sc= 0 USER MOD Single : A 140 ASN : amide:sc= 0.734 K(o=0.73,f=-6.3!) USER MOD Single : A 141 LYS NZ :NH3+ 133:sc= 1.28 (180deg=0.418) USER MOD Single : A 147 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 23.116 3.815 -5.623 1.00 65.31 N ATOM 34 CA GLU A 4 21.692 3.991 -5.379 1.00 73.34 C ATOM 35 C GLU A 4 21.304 3.519 -3.982 1.00 32.52 C ATOM 36 O GLU A 4 22.069 2.853 -3.270 1.00 73.50 O ATOM 37 CB GLU A 4 20.832 3.305 -6.455 1.00 65.43 C ATOM 38 CG GLU A 4 21.405 3.281 -7.876 1.00 52.12 C ATOM 39 CD GLU A 4 21.955 1.895 -8.257 1.00 73.12 C ATOM 40 OE1 GLU A 4 23.060 1.526 -7.800 1.00 22.34 O ATOM 41 OE2 GLU A 4 21.275 1.155 -9.013 1.00 30.21 O ATOM 0 HA GLU A 4 21.491 5.061 -5.439 1.00 73.34 H new ATOM 0 HB2 GLU A 4 20.651 2.276 -6.143 1.00 65.43 H new ATOM 0 HB3 GLU A 4 19.863 3.803 -6.486 1.00 65.43 H new ATOM 0 HG2 GLU A 4 20.628 3.569 -8.584 1.00 52.12 H new ATOM 0 HG3 GLU A 4 22.201 4.021 -7.958 1.00 52.12 H new ATOM 48 N GLU A 5 20.095 3.906 -3.591 1.00 71.11 N ATOM 49 CA GLU A 5 19.495 3.538 -2.317 1.00 73.32 C ATOM 50 C GLU A 5 19.001 2.084 -2.403 1.00 11.12 C ATOM 51 O GLU A 5 18.705 1.579 -3.492 1.00 10.44 O ATOM 52 CB GLU A 5 18.405 4.568 -1.981 1.00 71.23 C ATOM 53 CG GLU A 5 17.642 4.244 -0.689 1.00 43.02 C ATOM 54 CD GLU A 5 17.163 5.501 0.031 1.00 21.25 C ATOM 55 OE1 GLU A 5 18.002 6.184 0.667 1.00 54.34 O ATOM 56 OE2 GLU A 5 15.952 5.806 -0.043 1.00 12.42 O ATOM 0 H GLU A 5 19.493 4.497 -4.164 1.00 71.11 H new ATOM 0 HA GLU A 5 20.209 3.564 -1.494 1.00 73.32 H new ATOM 0 HB2 GLU A 5 18.862 5.553 -1.888 1.00 71.23 H new ATOM 0 HB3 GLU A 5 17.698 4.622 -2.809 1.00 71.23 H new ATOM 0 HG2 GLU A 5 16.784 3.614 -0.924 1.00 43.02 H new ATOM 0 HG3 GLU A 5 18.286 3.670 -0.023 1.00 43.02 H new ATOM 63 N ASP A 6 18.940 1.390 -1.268 1.00 54.44 N ATOM 64 CA ASP A 6 18.874 -0.067 -1.209 1.00 71.12 C ATOM 65 C ASP A 6 17.533 -0.556 -0.668 1.00 1.11 C ATOM 66 O ASP A 6 17.038 -0.061 0.344 1.00 53.03 O ATOM 67 CB ASP A 6 20.019 -0.607 -0.349 1.00 34.41 C ATOM 68 CG ASP A 6 19.916 -2.122 -0.250 1.00 61.52 C ATOM 69 OD1 ASP A 6 20.378 -2.799 -1.205 1.00 11.32 O ATOM 70 OD2 ASP A 6 19.329 -2.594 0.744 1.00 11.01 O ATOM 0 H ASP A 6 18.935 1.833 -0.349 1.00 54.44 H new ATOM 0 HA ASP A 6 18.973 -0.445 -2.227 1.00 71.12 H new ATOM 0 HB2 ASP A 6 20.978 -0.326 -0.785 1.00 34.41 H new ATOM 0 HB3 ASP A 6 19.979 -0.164 0.646 1.00 34.41 H new ATOM 75 N PHE A 7 16.981 -1.562 -1.340 1.00 74.42 N ATOM 76 CA PHE A 7 15.675 -2.176 -1.124 1.00 70.52 C ATOM 77 C PHE A 7 15.445 -2.726 0.290 1.00 13.41 C ATOM 78 O PHE A 7 14.292 -2.827 0.709 1.00 3.11 O ATOM 79 CB PHE A 7 15.454 -3.235 -2.210 1.00 4.23 C ATOM 80 CG PHE A 7 16.289 -4.475 -1.985 1.00 54.23 C ATOM 81 CD1 PHE A 7 17.610 -4.542 -2.462 1.00 52.12 C ATOM 82 CD2 PHE A 7 15.760 -5.538 -1.230 1.00 43.12 C ATOM 83 CE1 PHE A 7 18.394 -5.669 -2.182 1.00 34.54 C ATOM 84 CE2 PHE A 7 16.544 -6.669 -0.959 1.00 4.25 C ATOM 85 CZ PHE A 7 17.869 -6.733 -1.429 1.00 63.42 C ATOM 0 H PHE A 7 17.477 -2.005 -2.113 1.00 74.42 H new ATOM 0 HA PHE A 7 14.924 -1.390 -1.205 1.00 70.52 H new ATOM 0 HB2 PHE A 7 14.400 -3.510 -2.236 1.00 4.23 H new ATOM 0 HB3 PHE A 7 15.696 -2.809 -3.184 1.00 4.23 H new ATOM 0 HD1 PHE A 7 18.019 -3.728 -3.042 1.00 52.12 H new ATOM 0 HD2 PHE A 7 14.748 -5.483 -0.858 1.00 43.12 H new ATOM 0 HE1 PHE A 7 19.409 -5.720 -2.547 1.00 34.54 H new ATOM 0 HE2 PHE A 7 16.132 -7.489 -0.391 1.00 4.25 H new ATOM 0 HZ PHE A 7 18.480 -7.597 -1.212 1.00 63.42 H new ATOM 95 N LYS A 8 16.485 -3.032 1.069 1.00 5.13 N ATOM 96 CA LYS A 8 16.337 -3.272 2.503 1.00 63.24 C ATOM 97 C LYS A 8 16.365 -1.930 3.228 1.00 64.30 C ATOM 98 O LYS A 8 15.434 -1.580 3.953 1.00 41.10 O ATOM 99 CB LYS A 8 17.451 -4.226 2.956 1.00 31.12 C ATOM 100 CG LYS A 8 17.520 -4.419 4.477 1.00 71.40 C ATOM 101 CD LYS A 8 18.635 -5.403 4.854 1.00 72.10 C ATOM 102 CE LYS A 8 20.024 -4.825 4.550 1.00 21.55 C ATOM 103 NZ LYS A 8 20.840 -5.740 3.727 1.00 45.21 N ATOM 0 H LYS A 8 17.442 -3.119 0.727 1.00 5.13 H new ATOM 0 HA LYS A 8 15.385 -3.748 2.740 1.00 63.24 H new ATOM 0 HB2 LYS A 8 17.301 -5.196 2.482 1.00 31.12 H new ATOM 0 HB3 LYS A 8 18.409 -3.844 2.604 1.00 31.12 H new ATOM 0 HG2 LYS A 8 17.698 -3.459 4.962 1.00 71.40 H new ATOM 0 HG3 LYS A 8 16.563 -4.789 4.844 1.00 71.40 H new ATOM 0 HD2 LYS A 8 18.565 -5.645 5.915 1.00 72.10 H new ATOM 0 HD3 LYS A 8 18.500 -6.335 4.305 1.00 72.10 H new ATOM 0 HE2 LYS A 8 19.914 -3.873 4.031 1.00 21.55 H new ATOM 0 HE3 LYS A 8 20.543 -4.620 5.486 1.00 21.55 H new ATOM 0 HZ1 LYS A 8 21.769 -5.309 3.546 1.00 45.21 H new ATOM 0 HZ2 LYS A 8 20.968 -6.640 4.232 1.00 45.21 H new ATOM 0 HZ3 LYS A 8 20.358 -5.916 2.822 1.00 45.21 H new ATOM 117 N THR A 9 17.444 -1.172 3.073 1.00 62.24 N ATOM 118 CA THR A 9 17.718 0.006 3.883 1.00 24.31 C ATOM 119 C THR A 9 16.695 1.139 3.708 1.00 51.00 C ATOM 120 O THR A 9 16.493 1.919 4.648 1.00 11.42 O ATOM 121 CB THR A 9 19.157 0.425 3.571 1.00 25.13 C ATOM 122 OG1 THR A 9 20.008 -0.617 4.012 1.00 44.04 O ATOM 123 CG2 THR A 9 19.576 1.723 4.263 1.00 25.25 C ATOM 0 H THR A 9 18.161 -1.361 2.373 1.00 62.24 H new ATOM 0 HA THR A 9 17.614 -0.238 4.940 1.00 24.31 H new ATOM 0 HB THR A 9 19.229 0.604 2.498 1.00 25.13 H new ATOM 0 HG1 THR A 9 20.940 -0.380 3.824 1.00 44.04 H new ATOM 0 HG21 THR A 9 20.606 1.960 3.998 1.00 25.25 H new ATOM 0 HG22 THR A 9 18.923 2.534 3.942 1.00 25.25 H new ATOM 0 HG23 THR A 9 19.498 1.601 5.343 1.00 25.25 H new ATOM 131 N PHE A 10 16.030 1.255 2.556 1.00 41.03 N ATOM 132 CA PHE A 10 14.978 2.247 2.360 1.00 31.21 C ATOM 133 C PHE A 10 13.729 1.816 3.140 1.00 53.12 C ATOM 134 O PHE A 10 13.012 2.656 3.680 1.00 64.53 O ATOM 135 CB PHE A 10 14.692 2.469 0.859 1.00 4.33 C ATOM 136 CG PHE A 10 13.544 1.711 0.215 1.00 44.22 C ATOM 137 CD1 PHE A 10 13.499 0.307 0.247 1.00 74.51 C ATOM 138 CD2 PHE A 10 12.580 2.414 -0.535 1.00 3.25 C ATOM 139 CE1 PHE A 10 12.502 -0.387 -0.458 1.00 24.35 C ATOM 140 CE2 PHE A 10 11.604 1.718 -1.268 1.00 30.53 C ATOM 141 CZ PHE A 10 11.556 0.315 -1.219 1.00 10.21 C ATOM 0 H PHE A 10 16.206 0.668 1.741 1.00 41.03 H new ATOM 0 HA PHE A 10 15.306 3.211 2.749 1.00 31.21 H new ATOM 0 HB2 PHE A 10 14.509 3.533 0.711 1.00 4.33 H new ATOM 0 HB3 PHE A 10 15.600 2.222 0.309 1.00 4.33 H new ATOM 0 HD1 PHE A 10 14.235 -0.241 0.817 1.00 74.51 H new ATOM 0 HD2 PHE A 10 12.591 3.494 -0.546 1.00 3.25 H new ATOM 0 HE1 PHE A 10 12.464 -1.465 -0.414 1.00 24.35 H new ATOM 0 HE2 PHE A 10 10.891 2.262 -1.869 1.00 30.53 H new ATOM 0 HZ PHE A 10 10.794 -0.221 -1.765 1.00 10.21 H new ATOM 151 N LEU A 11 13.501 0.504 3.243 1.00 1.15 N ATOM 152 CA LEU A 11 12.323 -0.132 3.810 1.00 41.21 C ATOM 153 C LEU A 11 12.328 0.054 5.321 1.00 2.15 C ATOM 154 O LEU A 11 11.300 0.414 5.889 1.00 74.51 O ATOM 155 CB LEU A 11 12.344 -1.620 3.411 1.00 10.24 C ATOM 156 CG LEU A 11 10.980 -2.284 3.164 1.00 45.23 C ATOM 157 CD1 LEU A 11 10.247 -1.678 1.955 1.00 12.24 C ATOM 158 CD2 LEU A 11 11.240 -3.773 2.898 1.00 63.13 C ATOM 0 H LEU A 11 14.181 -0.180 2.910 1.00 1.15 H new ATOM 0 HA LEU A 11 11.406 0.318 3.429 1.00 41.21 H new ATOM 0 HB2 LEU A 11 12.942 -1.722 2.505 1.00 10.24 H new ATOM 0 HB3 LEU A 11 12.857 -2.176 4.196 1.00 10.24 H new ATOM 0 HG LEU A 11 10.346 -2.126 4.036 1.00 45.23 H new ATOM 0 HD11 LEU A 11 9.289 -2.180 1.821 1.00 12.24 H new ATOM 0 HD12 LEU A 11 10.079 -0.615 2.127 1.00 12.24 H new ATOM 0 HD13 LEU A 11 10.853 -1.809 1.059 1.00 12.24 H new ATOM 0 HD21 LEU A 11 10.293 -4.281 2.717 1.00 63.13 H new ATOM 0 HD22 LEU A 11 11.882 -3.880 2.023 1.00 63.13 H new ATOM 0 HD23 LEU A 11 11.731 -4.217 3.764 1.00 63.13 H new ATOM 170 N GLN A 12 13.500 -0.083 5.955 1.00 44.33 N ATOM 171 CA GLN A 12 13.734 0.258 7.360 1.00 2.42 C ATOM 172 C GLN A 12 13.178 1.661 7.656 1.00 5.22 C ATOM 173 O GLN A 12 12.314 1.834 8.511 1.00 51.14 O ATOM 174 CB GLN A 12 15.243 0.182 7.682 1.00 13.31 C ATOM 175 CG GLN A 12 15.836 -1.228 7.528 1.00 42.14 C ATOM 176 CD GLN A 12 17.323 -1.286 7.894 1.00 62.11 C ATOM 177 OE1 GLN A 12 18.166 -0.599 7.308 1.00 32.53 O ATOM 178 NE2 GLN A 12 17.692 -2.119 8.850 1.00 31.14 N ATOM 0 H GLN A 12 14.333 -0.444 5.490 1.00 44.33 H new ATOM 0 HA GLN A 12 13.215 -0.460 7.996 1.00 2.42 H new ATOM 0 HB2 GLN A 12 15.781 0.867 7.026 1.00 13.31 H new ATOM 0 HB3 GLN A 12 15.406 0.526 8.704 1.00 13.31 H new ATOM 0 HG2 GLN A 12 15.283 -1.922 8.161 1.00 42.14 H new ATOM 0 HG3 GLN A 12 15.706 -1.562 6.499 1.00 42.14 H new ATOM 0 HE21 GLN A 12 16.993 -2.685 9.332 1.00 31.14 H new ATOM 0 HE22 GLN A 12 18.676 -2.197 9.107 1.00 31.14 H new ATOM 187 N LYS A 13 13.637 2.663 6.898 1.00 33.35 N ATOM 188 CA LYS A 13 13.242 4.066 7.046 1.00 51.31 C ATOM 189 C LYS A 13 11.745 4.232 6.807 1.00 74.21 C ATOM 190 O LYS A 13 11.067 4.921 7.572 1.00 54.22 O ATOM 191 CB LYS A 13 14.043 4.929 6.055 1.00 22.12 C ATOM 192 CG LYS A 13 15.538 4.912 6.380 1.00 62.51 C ATOM 193 CD LYS A 13 16.372 5.306 5.159 1.00 2.13 C ATOM 194 CE LYS A 13 17.861 5.330 5.515 1.00 22.12 C ATOM 195 NZ LYS A 13 18.300 4.040 6.083 1.00 42.40 N ATOM 0 H LYS A 13 14.310 2.516 6.146 1.00 33.35 H new ATOM 0 HA LYS A 13 13.458 4.391 8.064 1.00 51.31 H new ATOM 0 HB2 LYS A 13 13.886 4.562 5.041 1.00 22.12 H new ATOM 0 HB3 LYS A 13 13.675 5.955 6.083 1.00 22.12 H new ATOM 0 HG2 LYS A 13 15.743 5.599 7.201 1.00 62.51 H new ATOM 0 HG3 LYS A 13 15.829 3.917 6.717 1.00 62.51 H new ATOM 0 HD2 LYS A 13 16.197 4.599 4.348 1.00 2.13 H new ATOM 0 HD3 LYS A 13 16.062 6.287 4.800 1.00 2.13 H new ATOM 0 HE2 LYS A 13 18.446 5.555 4.623 1.00 22.12 H new ATOM 0 HE3 LYS A 13 18.053 6.129 6.232 1.00 22.12 H new ATOM 0 HZ1 LYS A 13 19.310 3.897 5.880 1.00 42.40 H new ATOM 0 HZ2 LYS A 13 18.151 4.045 7.112 1.00 42.40 H new ATOM 0 HZ3 LYS A 13 17.749 3.268 5.658 1.00 42.40 H new ATOM 209 N PHE A 14 11.238 3.649 5.722 1.00 52.20 N ATOM 210 CA PHE A 14 9.847 3.763 5.306 1.00 23.35 C ATOM 211 C PHE A 14 8.927 3.289 6.432 1.00 25.15 C ATOM 212 O PHE A 14 8.007 4.009 6.812 1.00 63.10 O ATOM 213 CB PHE A 14 9.675 2.996 3.986 1.00 53.14 C ATOM 214 CG PHE A 14 8.517 3.407 3.098 1.00 64.53 C ATOM 215 CD1 PHE A 14 8.391 4.735 2.641 1.00 72.44 C ATOM 216 CD2 PHE A 14 7.639 2.422 2.613 1.00 44.33 C ATOM 217 CE1 PHE A 14 7.374 5.076 1.731 1.00 22.44 C ATOM 218 CE2 PHE A 14 6.634 2.758 1.689 1.00 41.21 C ATOM 219 CZ PHE A 14 6.485 4.093 1.270 1.00 25.51 C ATOM 0 H PHE A 14 11.799 3.072 5.095 1.00 52.20 H new ATOM 0 HA PHE A 14 9.565 4.799 5.116 1.00 23.35 H new ATOM 0 HB2 PHE A 14 10.596 3.099 3.412 1.00 53.14 H new ATOM 0 HB3 PHE A 14 9.563 1.938 4.221 1.00 53.14 H new ATOM 0 HD1 PHE A 14 9.077 5.492 2.991 1.00 72.44 H new ATOM 0 HD2 PHE A 14 7.737 1.401 2.952 1.00 44.33 H new ATOM 0 HE1 PHE A 14 7.277 6.095 1.387 1.00 22.44 H new ATOM 0 HE2 PHE A 14 5.978 1.993 1.302 1.00 41.21 H new ATOM 0 HZ PHE A 14 5.687 4.361 0.594 1.00 25.51 H new ATOM 229 N THR A 15 9.237 2.137 7.024 1.00 72.44 N ATOM 230 CA THR A 15 8.427 1.461 8.030 1.00 62.31 C ATOM 231 C THR A 15 8.639 2.031 9.441 1.00 3.22 C ATOM 232 O THR A 15 8.289 1.374 10.421 1.00 0.45 O ATOM 233 CB THR A 15 8.662 -0.064 7.906 1.00 74.12 C ATOM 234 OG1 THR A 15 10.025 -0.396 8.118 1.00 52.41 O ATOM 235 CG2 THR A 15 8.267 -0.599 6.519 1.00 74.43 C ATOM 0 H THR A 15 10.095 1.630 6.805 1.00 72.44 H new ATOM 0 HA THR A 15 7.369 1.649 7.845 1.00 62.31 H new ATOM 0 HB THR A 15 8.034 -0.523 8.670 1.00 74.12 H new ATOM 0 HG1 THR A 15 10.498 -0.400 7.260 1.00 52.41 H new ATOM 0 HG21 THR A 15 8.449 -1.673 6.478 1.00 74.43 H new ATOM 0 HG22 THR A 15 7.210 -0.403 6.341 1.00 74.43 H new ATOM 0 HG23 THR A 15 8.862 -0.101 5.754 1.00 74.43 H new ATOM 243 N SER A 16 9.201 3.242 9.573 1.00 21.44 N ATOM 244 CA SER A 16 9.482 3.837 10.873 1.00 40.14 C ATOM 245 C SER A 16 9.266 5.357 10.911 1.00 33.15 C ATOM 246 O SER A 16 9.567 5.950 11.946 1.00 12.05 O ATOM 247 CB SER A 16 10.903 3.412 11.299 1.00 21.42 C ATOM 248 OG SER A 16 11.030 3.236 12.704 1.00 51.42 O ATOM 0 H SER A 16 9.469 3.827 8.782 1.00 21.44 H new ATOM 0 HA SER A 16 8.761 3.461 11.599 1.00 40.14 H new ATOM 0 HB2 SER A 16 11.164 2.481 10.796 1.00 21.42 H new ATOM 0 HB3 SER A 16 11.617 4.165 10.966 1.00 21.42 H new ATOM 0 HG SER A 16 11.947 2.966 12.918 1.00 51.42 H new ATOM 254 N SER A 17 8.766 6.027 9.862 1.00 62.21 N ATOM 255 CA SER A 17 8.492 7.464 9.951 1.00 64.20 C ATOM 256 C SER A 17 7.389 7.875 8.977 1.00 51.44 C ATOM 257 O SER A 17 7.506 7.657 7.766 1.00 2.05 O ATOM 258 CB SER A 17 9.783 8.250 9.717 1.00 70.34 C ATOM 259 OG SER A 17 9.571 9.640 9.855 1.00 34.53 O ATOM 0 H SER A 17 8.547 5.605 8.960 1.00 62.21 H new ATOM 0 HA SER A 17 8.129 7.696 10.952 1.00 64.20 H new ATOM 0 HB2 SER A 17 10.543 7.924 10.427 1.00 70.34 H new ATOM 0 HB3 SER A 17 10.166 8.036 8.719 1.00 70.34 H new ATOM 0 HG SER A 17 10.414 10.116 9.702 1.00 34.53 H new ATOM 265 N ALA A 18 6.327 8.486 9.512 1.00 12.24 N ATOM 266 CA ALA A 18 5.148 8.895 8.764 1.00 41.40 C ATOM 267 C ALA A 18 5.504 9.951 7.720 1.00 52.13 C ATOM 268 O ALA A 18 5.278 9.734 6.529 1.00 23.12 O ATOM 269 CB ALA A 18 4.074 9.404 9.729 1.00 62.33 C ATOM 0 H ALA A 18 6.268 8.713 10.505 1.00 12.24 H new ATOM 0 HA ALA A 18 4.751 8.032 8.229 1.00 41.40 H new ATOM 0 HB1 ALA A 18 3.193 9.709 9.165 1.00 62.33 H new ATOM 0 HB2 ALA A 18 3.803 8.609 10.424 1.00 62.33 H new ATOM 0 HB3 ALA A 18 4.461 10.257 10.287 1.00 62.33 H new ATOM 275 N SER A 19 6.072 11.090 8.131 1.00 10.33 N ATOM 276 CA SER A 19 6.374 12.163 7.186 1.00 52.00 C ATOM 277 C SER A 19 7.348 11.701 6.108 1.00 71.11 C ATOM 278 O SER A 19 7.148 12.044 4.947 1.00 43.20 O ATOM 279 CB SER A 19 6.904 13.404 7.900 1.00 70.12 C ATOM 280 OG SER A 19 5.894 13.929 8.736 1.00 31.55 O ATOM 0 H SER A 19 6.328 11.289 9.098 1.00 10.33 H new ATOM 0 HA SER A 19 5.438 12.433 6.697 1.00 52.00 H new ATOM 0 HB2 SER A 19 7.785 13.150 8.490 1.00 70.12 H new ATOM 0 HB3 SER A 19 7.214 14.153 7.171 1.00 70.12 H new ATOM 0 HG SER A 19 6.232 14.725 9.197 1.00 31.55 H new ATOM 286 N PHE A 20 8.348 10.884 6.456 1.00 4.01 N ATOM 287 CA PHE A 20 9.251 10.295 5.476 1.00 24.32 C ATOM 288 C PHE A 20 8.463 9.507 4.430 1.00 54.20 C ATOM 289 O PHE A 20 8.690 9.696 3.237 1.00 71.43 O ATOM 290 CB PHE A 20 10.267 9.393 6.179 1.00 11.34 C ATOM 291 CG PHE A 20 11.185 8.636 5.239 1.00 42.22 C ATOM 292 CD1 PHE A 20 12.399 9.204 4.818 1.00 44.00 C ATOM 293 CD2 PHE A 20 10.830 7.348 4.795 1.00 14.23 C ATOM 294 CE1 PHE A 20 13.257 8.481 3.973 1.00 53.14 C ATOM 295 CE2 PHE A 20 11.682 6.633 3.934 1.00 73.20 C ATOM 296 CZ PHE A 20 12.900 7.199 3.524 1.00 30.13 C ATOM 0 H PHE A 20 8.549 10.617 7.420 1.00 4.01 H new ATOM 0 HA PHE A 20 9.788 11.094 4.965 1.00 24.32 H new ATOM 0 HB2 PHE A 20 10.874 10.002 6.849 1.00 11.34 H new ATOM 0 HB3 PHE A 20 9.730 8.676 6.800 1.00 11.34 H new ATOM 0 HD1 PHE A 20 12.673 10.197 5.144 1.00 44.00 H new ATOM 0 HD2 PHE A 20 9.898 6.907 5.117 1.00 14.23 H new ATOM 0 HE1 PHE A 20 14.198 8.914 3.666 1.00 53.14 H new ATOM 0 HE2 PHE A 20 11.400 5.649 3.588 1.00 73.20 H new ATOM 0 HZ PHE A 20 13.559 6.651 2.867 1.00 30.13 H new ATOM 306 N GLN A 21 7.536 8.639 4.856 1.00 5.25 N ATOM 307 CA GLN A 21 6.693 7.880 3.945 1.00 10.15 C ATOM 308 C GLN A 21 5.947 8.832 3.000 1.00 23.43 C ATOM 309 O GLN A 21 6.054 8.680 1.782 1.00 23.32 O ATOM 310 CB GLN A 21 5.778 6.918 4.735 1.00 71.14 C ATOM 311 CG GLN A 21 4.729 6.237 3.839 1.00 70.23 C ATOM 312 CD GLN A 21 4.412 4.822 4.278 1.00 61.22 C ATOM 313 OE1 GLN A 21 3.269 4.510 4.572 1.00 24.40 O ATOM 314 NE2 GLN A 21 5.387 3.941 4.246 1.00 70.41 N ATOM 0 H GLN A 21 7.355 8.449 5.842 1.00 5.25 H new ATOM 0 HA GLN A 21 7.304 7.244 3.305 1.00 10.15 H new ATOM 0 HB2 GLN A 21 6.389 6.156 5.219 1.00 71.14 H new ATOM 0 HB3 GLN A 21 5.272 7.471 5.527 1.00 71.14 H new ATOM 0 HG2 GLN A 21 3.813 6.828 3.845 1.00 70.23 H new ATOM 0 HG3 GLN A 21 5.091 6.221 2.811 1.00 70.23 H new ATOM 0 HE21 GLN A 21 6.331 4.234 3.996 1.00 70.41 H new ATOM 0 HE22 GLN A 21 5.199 2.964 4.471 1.00 70.41 H new ATOM 323 N TYR A 22 5.241 9.836 3.527 1.00 5.22 N ATOM 324 CA TYR A 22 4.522 10.813 2.705 1.00 24.14 C ATOM 325 C TYR A 22 5.442 11.595 1.759 1.00 1.02 C ATOM 326 O TYR A 22 4.997 11.998 0.681 1.00 22.41 O ATOM 327 CB TYR A 22 3.693 11.754 3.597 1.00 32.55 C ATOM 328 CG TYR A 22 2.414 11.130 4.137 1.00 11.40 C ATOM 329 CD1 TYR A 22 1.308 10.977 3.280 1.00 54.15 C ATOM 330 CD2 TYR A 22 2.296 10.742 5.489 1.00 44.15 C ATOM 331 CE1 TYR A 22 0.125 10.369 3.747 1.00 45.31 C ATOM 332 CE2 TYR A 22 1.105 10.159 5.963 1.00 10.13 C ATOM 333 CZ TYR A 22 0.021 9.947 5.087 1.00 50.22 C ATOM 334 OH TYR A 22 -1.083 9.254 5.475 1.00 41.35 O ATOM 0 H TYR A 22 5.152 9.994 4.531 1.00 5.22 H new ATOM 0 HA TYR A 22 3.843 10.254 2.061 1.00 24.14 H new ATOM 0 HB2 TYR A 22 4.309 12.078 4.436 1.00 32.55 H new ATOM 0 HB3 TYR A 22 3.436 12.646 3.026 1.00 32.55 H new ATOM 0 HD1 TYR A 22 1.366 11.327 2.260 1.00 54.15 H new ATOM 0 HD2 TYR A 22 3.125 10.893 6.165 1.00 44.15 H new ATOM 0 HE1 TYR A 22 -0.707 10.226 3.073 1.00 45.31 H new ATOM 0 HE2 TYR A 22 1.022 9.873 7.001 1.00 10.13 H new ATOM 0 HH TYR A 22 -1.011 9.030 6.426 1.00 41.35 H new ATOM 344 N SER A 23 6.717 11.780 2.094 1.00 71.52 N ATOM 345 CA SER A 23 7.696 12.427 1.228 1.00 32.25 C ATOM 346 C SER A 23 8.308 11.492 0.167 1.00 12.43 C ATOM 347 O SER A 23 9.214 11.921 -0.557 1.00 62.14 O ATOM 348 CB SER A 23 8.780 13.068 2.098 1.00 10.15 C ATOM 349 OG SER A 23 8.220 14.106 2.879 1.00 12.21 O ATOM 0 H SER A 23 7.103 11.479 2.989 1.00 71.52 H new ATOM 0 HA SER A 23 7.171 13.191 0.655 1.00 32.25 H new ATOM 0 HB2 SER A 23 9.230 12.316 2.746 1.00 10.15 H new ATOM 0 HB3 SER A 23 9.577 13.464 1.468 1.00 10.15 H new ATOM 0 HG SER A 23 7.777 13.722 3.664 1.00 12.21 H new ATOM 355 N ARG A 24 7.882 10.224 0.051 1.00 53.22 N ATOM 356 CA ARG A 24 8.542 9.216 -0.781 1.00 51.03 C ATOM 357 C ARG A 24 7.520 8.423 -1.614 1.00 12.43 C ATOM 358 O ARG A 24 7.718 7.231 -1.861 1.00 25.14 O ATOM 359 CB ARG A 24 9.440 8.336 0.116 1.00 73.14 C ATOM 360 CG ARG A 24 10.651 9.069 0.735 1.00 63.52 C ATOM 361 CD ARG A 24 11.715 9.535 -0.274 1.00 13.01 C ATOM 362 NE ARG A 24 12.320 8.399 -0.989 1.00 54.30 N ATOM 363 CZ ARG A 24 13.429 7.725 -0.667 1.00 43.11 C ATOM 364 NH1 ARG A 24 14.290 8.119 0.263 1.00 12.12 N ATOM 365 NH2 ARG A 24 13.686 6.590 -1.288 1.00 50.43 N ATOM 0 H ARG A 24 7.060 9.870 0.540 1.00 53.22 H new ATOM 0 HA ARG A 24 9.188 9.696 -1.516 1.00 51.03 H new ATOM 0 HB2 ARG A 24 8.832 7.923 0.921 1.00 73.14 H new ATOM 0 HB3 ARG A 24 9.804 7.494 -0.473 1.00 73.14 H new ATOM 0 HG2 ARG A 24 10.288 9.938 1.285 1.00 63.52 H new ATOM 0 HG3 ARG A 24 11.125 8.408 1.460 1.00 63.52 H new ATOM 0 HD2 ARG A 24 11.261 10.218 -0.993 1.00 13.01 H new ATOM 0 HD3 ARG A 24 12.493 10.093 0.248 1.00 13.01 H new ATOM 0 HE ARG A 24 11.835 8.089 -1.831 1.00 54.30 H new ATOM 0 HH11 ARG A 24 14.123 8.983 0.780 1.00 12.12 H new ATOM 0 HH12 ARG A 24 15.119 7.558 0.461 1.00 12.12 H new ATOM 0 HH21 ARG A 24 13.044 6.241 -2.000 1.00 50.43 H new ATOM 0 HH22 ARG A 24 14.527 6.061 -1.057 1.00 50.43 H new ATOM 379 N ILE A 25 6.436 9.065 -2.063 1.00 41.41 N ATOM 380 CA ILE A 25 5.396 8.485 -2.926 1.00 30.24 C ATOM 381 C ILE A 25 5.243 9.391 -4.170 1.00 50.31 C ATOM 382 O ILE A 25 5.703 10.533 -4.161 1.00 50.23 O ATOM 383 CB ILE A 25 4.100 8.354 -2.080 1.00 10.24 C ATOM 384 CG1 ILE A 25 4.294 7.492 -0.808 1.00 31.45 C ATOM 385 CG2 ILE A 25 2.888 7.792 -2.842 1.00 21.30 C ATOM 386 CD1 ILE A 25 3.339 7.914 0.310 1.00 45.14 C ATOM 0 H ILE A 25 6.250 10.040 -1.827 1.00 41.41 H new ATOM 0 HA ILE A 25 5.647 7.489 -3.290 1.00 30.24 H new ATOM 0 HB ILE A 25 3.888 9.388 -1.810 1.00 10.24 H new ATOM 0 HG12 ILE A 25 4.129 6.442 -1.051 1.00 31.45 H new ATOM 0 HG13 ILE A 25 5.323 7.581 -0.461 1.00 31.45 H new ATOM 0 HG21 ILE A 25 2.030 7.737 -2.171 1.00 21.30 H new ATOM 0 HG22 ILE A 25 2.651 8.446 -3.681 1.00 21.30 H new ATOM 0 HG23 ILE A 25 3.123 6.795 -3.214 1.00 21.30 H new ATOM 0 HD11 ILE A 25 3.505 7.287 1.186 1.00 45.14 H new ATOM 0 HD12 ILE A 25 3.522 8.957 0.570 1.00 45.14 H new ATOM 0 HD13 ILE A 25 2.309 7.800 -0.029 1.00 45.14 H new ATOM 398 N LYS A 26 4.604 8.918 -5.248 1.00 71.42 N ATOM 399 CA LYS A 26 3.960 9.768 -6.259 1.00 45.14 C ATOM 400 C LYS A 26 2.482 9.516 -6.106 1.00 70.44 C ATOM 401 O LYS A 26 2.086 8.366 -5.976 1.00 31.30 O ATOM 402 CB LYS A 26 4.318 9.402 -7.717 1.00 43.43 C ATOM 403 CG LYS A 26 5.446 10.247 -8.309 1.00 12.32 C ATOM 404 CD LYS A 26 6.790 9.734 -7.812 1.00 45.00 C ATOM 405 CE LYS A 26 7.842 10.834 -7.792 1.00 25.25 C ATOM 406 NZ LYS A 26 8.539 11.015 -9.079 1.00 54.12 N ATOM 0 H LYS A 26 4.518 7.921 -5.445 1.00 71.42 H new ATOM 0 HA LYS A 26 4.285 10.796 -6.098 1.00 45.14 H new ATOM 0 HB2 LYS A 26 4.605 8.351 -7.757 1.00 43.43 H new ATOM 0 HB3 LYS A 26 3.429 9.514 -8.338 1.00 43.43 H new ATOM 0 HG2 LYS A 26 5.411 10.206 -9.398 1.00 12.32 H new ATOM 0 HG3 LYS A 26 5.318 11.292 -8.025 1.00 12.32 H new ATOM 0 HD2 LYS A 26 6.674 9.323 -6.809 1.00 45.00 H new ATOM 0 HD3 LYS A 26 7.128 8.919 -8.453 1.00 45.00 H new ATOM 0 HE2 LYS A 26 7.366 11.774 -7.512 1.00 25.25 H new ATOM 0 HE3 LYS A 26 8.577 10.607 -7.020 1.00 25.25 H new ATOM 0 HZ1 LYS A 26 9.239 11.779 -8.990 1.00 54.12 H new ATOM 0 HZ2 LYS A 26 9.022 10.131 -9.340 1.00 54.12 H new ATOM 0 HZ3 LYS A 26 7.848 11.262 -9.816 1.00 54.12 H new ATOM 420 N PHE A 27 1.672 10.556 -6.174 1.00 44.35 N ATOM 421 CA PHE A 27 0.223 10.423 -6.270 1.00 33.21 C ATOM 422 C PHE A 27 -0.233 11.327 -7.425 1.00 3.02 C ATOM 423 O PHE A 27 0.495 12.272 -7.756 1.00 52.31 O ATOM 424 CB PHE A 27 -0.425 10.839 -4.938 1.00 64.41 C ATOM 425 CG PHE A 27 -0.228 12.292 -4.532 1.00 4.41 C ATOM 426 CD1 PHE A 27 -1.128 13.284 -4.972 1.00 54.44 C ATOM 427 CD2 PHE A 27 0.852 12.659 -3.705 1.00 31.41 C ATOM 428 CE1 PHE A 27 -0.945 14.627 -4.597 1.00 24.12 C ATOM 429 CE2 PHE A 27 1.021 13.997 -3.309 1.00 25.30 C ATOM 430 CZ PHE A 27 0.126 14.983 -3.757 1.00 41.22 C ATOM 0 H PHE A 27 1.998 11.522 -6.164 1.00 44.35 H new ATOM 0 HA PHE A 27 -0.076 9.393 -6.465 1.00 33.21 H new ATOM 0 HB2 PHE A 27 -1.495 10.640 -4.998 1.00 64.41 H new ATOM 0 HB3 PHE A 27 -0.027 10.203 -4.147 1.00 64.41 H new ATOM 0 HD1 PHE A 27 -1.963 13.011 -5.601 1.00 54.44 H new ATOM 0 HD2 PHE A 27 1.554 11.908 -3.374 1.00 31.41 H new ATOM 0 HE1 PHE A 27 -1.627 15.385 -4.954 1.00 24.12 H new ATOM 0 HE2 PHE A 27 1.840 14.268 -2.659 1.00 25.30 H new ATOM 0 HZ PHE A 27 0.260 16.012 -3.457 1.00 41.22 H new ATOM 440 N PRO A 28 -1.430 11.124 -7.998 1.00 53.42 N ATOM 441 CA PRO A 28 -2.295 9.952 -7.845 1.00 43.24 C ATOM 442 C PRO A 28 -1.659 8.728 -8.504 1.00 10.14 C ATOM 443 O PRO A 28 -0.721 8.843 -9.293 1.00 70.22 O ATOM 444 CB PRO A 28 -3.597 10.371 -8.542 1.00 11.11 C ATOM 445 CG PRO A 28 -3.145 11.306 -9.654 1.00 5.30 C ATOM 446 CD PRO A 28 -1.945 12.011 -9.034 1.00 24.41 C ATOM 0 HA PRO A 28 -2.461 9.666 -6.806 1.00 43.24 H new ATOM 0 HB2 PRO A 28 -4.130 9.508 -8.940 1.00 11.11 H new ATOM 0 HB3 PRO A 28 -4.274 10.873 -7.851 1.00 11.11 H new ATOM 0 HG2 PRO A 28 -2.871 10.759 -10.556 1.00 5.30 H new ATOM 0 HG3 PRO A 28 -3.928 12.011 -9.934 1.00 5.30 H new ATOM 0 HD2 PRO A 28 -1.182 12.212 -9.786 1.00 24.41 H new ATOM 0 HD3 PRO A 28 -2.236 12.972 -8.611 1.00 24.41 H new ATOM 454 N LEU A 29 -2.140 7.554 -8.102 1.00 5.10 N ATOM 455 CA LEU A 29 -1.534 6.270 -8.382 1.00 73.53 C ATOM 456 C LEU A 29 -2.089 5.645 -9.668 1.00 23.22 C ATOM 457 O LEU A 29 -2.657 6.332 -10.516 1.00 54.44 O ATOM 458 CB LEU A 29 -1.810 5.401 -7.152 1.00 54.15 C ATOM 459 CG LEU A 29 -1.084 5.809 -5.874 1.00 34.44 C ATOM 460 CD1 LEU A 29 0.439 5.850 -5.846 1.00 61.32 C ATOM 461 CD2 LEU A 29 -1.604 6.996 -5.152 1.00 1.00 C ATOM 0 H LEU A 29 -2.995 7.476 -7.552 1.00 5.10 H new ATOM 0 HA LEU A 29 -0.463 6.368 -8.559 1.00 73.53 H new ATOM 0 HB2 LEU A 29 -2.882 5.411 -6.957 1.00 54.15 H new ATOM 0 HB3 LEU A 29 -1.538 4.372 -7.389 1.00 54.15 H new ATOM 0 HG LEU A 29 -1.364 4.904 -5.336 1.00 34.44 H new ATOM 0 HD11 LEU A 29 0.776 6.161 -4.857 1.00 61.32 H new ATOM 0 HD12 LEU A 29 0.834 4.859 -6.069 1.00 61.32 H new ATOM 0 HD13 LEU A 29 0.798 6.560 -6.592 1.00 61.32 H new ATOM 0 HD21 LEU A 29 -0.998 7.176 -4.264 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -1.558 7.868 -5.805 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -2.638 6.818 -4.856 1.00 1.00 H new ATOM 473 N LYS A 30 -1.891 4.334 -9.818 1.00 33.44 N ATOM 474 CA LYS A 30 -2.173 3.558 -11.022 1.00 65.22 C ATOM 475 C LYS A 30 -3.223 2.453 -10.832 1.00 13.24 C ATOM 476 O LYS A 30 -3.805 2.019 -11.826 1.00 34.33 O ATOM 477 CB LYS A 30 -0.854 2.981 -11.519 1.00 73.14 C ATOM 478 CG LYS A 30 0.057 4.005 -12.202 1.00 13.12 C ATOM 479 CD LYS A 30 1.128 3.243 -12.975 1.00 24.21 C ATOM 480 CE LYS A 30 2.034 4.184 -13.765 1.00 32.34 C ATOM 481 NZ LYS A 30 2.942 3.412 -14.633 1.00 32.40 N ATOM 0 H LYS A 30 -1.511 3.759 -9.066 1.00 33.44 H new ATOM 0 HA LYS A 30 -2.617 4.228 -11.758 1.00 65.22 H new ATOM 0 HB2 LYS A 30 -0.321 2.542 -10.676 1.00 73.14 H new ATOM 0 HB3 LYS A 30 -1.064 2.173 -12.220 1.00 73.14 H new ATOM 0 HG2 LYS A 30 -0.520 4.639 -12.875 1.00 13.12 H new ATOM 0 HG3 LYS A 30 0.515 4.661 -11.462 1.00 13.12 H new ATOM 0 HD2 LYS A 30 1.730 2.657 -12.280 1.00 24.21 H new ATOM 0 HD3 LYS A 30 0.652 2.539 -13.657 1.00 24.21 H new ATOM 0 HE2 LYS A 30 1.429 4.860 -14.370 1.00 32.34 H new ATOM 0 HE3 LYS A 30 2.614 4.802 -13.080 1.00 32.34 H new ATOM 0 HZ1 LYS A 30 3.553 4.065 -15.165 1.00 32.40 H new ATOM 0 HZ2 LYS A 30 3.531 2.785 -14.049 1.00 32.40 H new ATOM 0 HZ3 LYS A 30 2.384 2.841 -15.299 1.00 32.40 H new ATOM 495 N SER A 31 -3.486 2.033 -9.594 1.00 52.33 N ATOM 496 CA SER A 31 -4.579 1.239 -9.064 1.00 53.05 C ATOM 497 C SER A 31 -5.762 2.167 -8.761 1.00 65.51 C ATOM 498 O SER A 31 -5.838 2.710 -7.649 1.00 12.00 O ATOM 499 CB SER A 31 -4.133 0.565 -7.758 1.00 61.44 C ATOM 500 OG SER A 31 -3.291 -0.545 -7.958 1.00 70.21 O ATOM 0 H SER A 31 -2.843 2.281 -8.842 1.00 52.33 H new ATOM 0 HA SER A 31 -4.869 0.480 -9.791 1.00 53.05 H new ATOM 0 HB2 SER A 31 -3.615 1.297 -7.139 1.00 61.44 H new ATOM 0 HB3 SER A 31 -5.015 0.246 -7.203 1.00 61.44 H new ATOM 0 HG SER A 31 -2.430 -0.242 -8.315 1.00 70.21 H new ATOM 506 N PRO A 32 -6.652 2.467 -9.717 1.00 23.43 N ATOM 507 CA PRO A 32 -7.880 3.156 -9.378 1.00 14.43 C ATOM 508 C PRO A 32 -8.741 2.265 -8.462 1.00 71.42 C ATOM 509 O PRO A 32 -8.551 1.046 -8.394 1.00 14.11 O ATOM 510 CB PRO A 32 -8.503 3.485 -10.733 1.00 64.14 C ATOM 511 CG PRO A 32 -8.137 2.261 -11.564 1.00 3.31 C ATOM 512 CD PRO A 32 -6.706 2.019 -11.101 1.00 31.12 C ATOM 0 HA PRO A 32 -7.750 4.072 -8.802 1.00 14.43 H new ATOM 0 HB2 PRO A 32 -9.582 3.621 -10.662 1.00 64.14 H new ATOM 0 HB3 PRO A 32 -8.094 4.402 -11.157 1.00 64.14 H new ATOM 0 HG2 PRO A 32 -8.788 1.411 -11.357 1.00 3.31 H new ATOM 0 HG3 PRO A 32 -8.198 2.455 -12.635 1.00 3.31 H new ATOM 0 HD2 PRO A 32 -6.443 0.964 -11.180 1.00 31.12 H new ATOM 0 HD3 PRO A 32 -5.997 2.571 -11.718 1.00 31.12 H new ATOM 520 N ILE A 33 -9.657 2.885 -7.716 1.00 11.14 N ATOM 521 CA ILE A 33 -10.583 2.195 -6.820 1.00 24.10 C ATOM 522 C ILE A 33 -11.872 2.077 -7.609 1.00 50.13 C ATOM 523 O ILE A 33 -12.539 3.092 -7.850 1.00 10.03 O ATOM 524 CB ILE A 33 -10.742 2.962 -5.487 1.00 53.43 C ATOM 525 CG1 ILE A 33 -9.462 2.788 -4.636 1.00 64.33 C ATOM 526 CG2 ILE A 33 -11.964 2.521 -4.657 1.00 51.01 C ATOM 527 CD1 ILE A 33 -9.228 3.924 -3.635 1.00 32.32 C ATOM 0 H ILE A 33 -9.777 3.898 -7.718 1.00 11.14 H new ATOM 0 HA ILE A 33 -10.229 1.209 -6.519 1.00 24.10 H new ATOM 0 HB ILE A 33 -10.903 4.007 -5.751 1.00 53.43 H new ATOM 0 HG12 ILE A 33 -9.523 1.845 -4.094 1.00 64.33 H new ATOM 0 HG13 ILE A 33 -8.601 2.719 -5.301 1.00 64.33 H new ATOM 0 HG21 ILE A 33 -12.008 3.104 -3.737 1.00 51.01 H new ATOM 0 HG22 ILE A 33 -12.874 2.684 -5.234 1.00 51.01 H new ATOM 0 HG23 ILE A 33 -11.875 1.463 -4.412 1.00 51.01 H new ATOM 0 HD11 ILE A 33 -8.313 3.733 -3.075 1.00 32.32 H new ATOM 0 HD12 ILE A 33 -9.134 4.868 -4.172 1.00 32.32 H new ATOM 0 HD13 ILE A 33 -10.070 3.981 -2.945 1.00 32.32 H new ATOM 539 N ALA A 34 -12.193 0.862 -8.050 1.00 1.13 N ATOM 540 CA ALA A 34 -13.479 0.569 -8.648 1.00 71.44 C ATOM 541 C ALA A 34 -14.361 0.007 -7.551 1.00 61.53 C ATOM 542 O ALA A 34 -13.878 -0.730 -6.687 1.00 71.45 O ATOM 543 CB ALA A 34 -13.349 -0.427 -9.806 1.00 2.23 C ATOM 0 H ALA A 34 -11.565 0.060 -8.000 1.00 1.13 H new ATOM 0 HA ALA A 34 -13.912 1.476 -9.071 1.00 71.44 H new ATOM 0 HB1 ALA A 34 -14.334 -0.623 -10.230 1.00 2.23 H new ATOM 0 HB2 ALA A 34 -12.700 -0.008 -10.575 1.00 2.23 H new ATOM 0 HB3 ALA A 34 -12.921 -1.359 -9.438 1.00 2.23 H new ATOM 549 N LEU A 35 -15.641 0.374 -7.583 1.00 42.22 N ATOM 550 CA LEU A 35 -16.659 -0.142 -6.672 1.00 74.21 C ATOM 551 C LEU A 35 -17.927 -0.383 -7.489 1.00 64.31 C ATOM 552 O LEU A 35 -17.918 -0.189 -8.709 1.00 54.14 O ATOM 553 CB LEU A 35 -16.908 0.825 -5.496 1.00 70.52 C ATOM 554 CG LEU A 35 -15.652 1.151 -4.665 1.00 73.53 C ATOM 555 CD1 LEU A 35 -15.897 2.402 -3.828 1.00 14.01 C ATOM 556 CD2 LEU A 35 -15.252 -0.023 -3.769 1.00 31.40 C ATOM 0 H LEU A 35 -16.005 1.050 -8.255 1.00 42.22 H new ATOM 0 HA LEU A 35 -16.324 -1.077 -6.222 1.00 74.21 H new ATOM 0 HB2 LEU A 35 -17.322 1.755 -5.887 1.00 70.52 H new ATOM 0 HB3 LEU A 35 -17.662 0.392 -4.838 1.00 70.52 H new ATOM 0 HG LEU A 35 -14.826 1.334 -5.353 1.00 73.53 H new ATOM 0 HD11 LEU A 35 -15.006 2.628 -3.242 1.00 14.01 H new ATOM 0 HD12 LEU A 35 -16.122 3.242 -4.486 1.00 14.01 H new ATOM 0 HD13 LEU A 35 -16.739 2.232 -3.157 1.00 14.01 H new ATOM 0 HD21 LEU A 35 -14.363 0.242 -3.197 1.00 31.40 H new ATOM 0 HD22 LEU A 35 -16.068 -0.253 -3.084 1.00 31.40 H new ATOM 0 HD23 LEU A 35 -15.040 -0.896 -4.386 1.00 31.40 H new ATOM 568 N LEU A 36 -18.993 -0.823 -6.826 1.00 5.21 N ATOM 569 CA LEU A 36 -20.239 -1.269 -7.434 1.00 45.12 C ATOM 570 C LEU A 36 -21.310 -0.277 -6.997 1.00 62.25 C ATOM 571 O LEU A 36 -21.510 -0.093 -5.792 1.00 10.53 O ATOM 572 CB LEU A 36 -20.572 -2.698 -6.955 1.00 44.35 C ATOM 573 CG LEU A 36 -19.767 -3.854 -7.591 1.00 73.35 C ATOM 574 CD1 LEU A 36 -20.136 -4.086 -9.060 1.00 24.43 C ATOM 575 CD2 LEU A 36 -18.249 -3.737 -7.450 1.00 44.15 C ATOM 0 H LEU A 36 -19.011 -0.880 -5.808 1.00 5.21 H new ATOM 0 HA LEU A 36 -20.171 -1.303 -8.521 1.00 45.12 H new ATOM 0 HB2 LEU A 36 -20.426 -2.737 -5.876 1.00 44.35 H new ATOM 0 HB3 LEU A 36 -21.631 -2.880 -7.140 1.00 44.35 H new ATOM 0 HG LEU A 36 -20.065 -4.723 -7.004 1.00 73.35 H new ATOM 0 HD11 LEU A 36 -19.542 -4.908 -9.459 1.00 24.43 H new ATOM 0 HD12 LEU A 36 -21.195 -4.334 -9.134 1.00 24.43 H new ATOM 0 HD13 LEU A 36 -19.934 -3.181 -9.633 1.00 24.43 H new ATOM 0 HD21 LEU A 36 -17.772 -4.593 -7.927 1.00 44.15 H new ATOM 0 HD22 LEU A 36 -17.909 -2.819 -7.929 1.00 44.15 H new ATOM 0 HD23 LEU A 36 -17.982 -3.715 -6.393 1.00 44.15 H new ATOM 587 N LYS A 37 -21.939 0.428 -7.943 1.00 44.21 N ATOM 588 CA LYS A 37 -23.022 1.363 -7.621 1.00 21.24 C ATOM 589 C LYS A 37 -24.273 0.565 -7.239 1.00 30.24 C ATOM 590 O LYS A 37 -24.295 -0.665 -7.287 1.00 23.24 O ATOM 591 CB LYS A 37 -23.292 2.382 -8.752 1.00 62.15 C ATOM 592 CG LYS A 37 -22.024 2.988 -9.380 1.00 5.23 C ATOM 593 CD LYS A 37 -22.280 3.795 -10.662 1.00 21.03 C ATOM 594 CE LYS A 37 -22.483 5.305 -10.465 1.00 21.01 C ATOM 595 NZ LYS A 37 -23.877 5.709 -10.190 1.00 45.53 N ATOM 0 H LYS A 37 -21.717 0.369 -8.937 1.00 44.21 H new ATOM 0 HA LYS A 37 -22.715 1.969 -6.769 1.00 21.24 H new ATOM 0 HB2 LYS A 37 -23.872 1.892 -9.535 1.00 62.15 H new ATOM 0 HB3 LYS A 37 -23.908 3.190 -8.357 1.00 62.15 H new ATOM 0 HG2 LYS A 37 -21.543 3.635 -8.647 1.00 5.23 H new ATOM 0 HG3 LYS A 37 -21.323 2.184 -9.604 1.00 5.23 H new ATOM 0 HD2 LYS A 37 -21.439 3.645 -11.339 1.00 21.03 H new ATOM 0 HD3 LYS A 37 -23.163 3.389 -11.156 1.00 21.03 H new ATOM 0 HE2 LYS A 37 -21.853 5.638 -9.640 1.00 21.01 H new ATOM 0 HE3 LYS A 37 -22.138 5.824 -11.359 1.00 21.01 H new ATOM 0 HZ1 LYS A 37 -23.922 6.741 -10.071 1.00 45.53 H new ATOM 0 HZ2 LYS A 37 -24.484 5.425 -10.985 1.00 45.53 H new ATOM 0 HZ3 LYS A 37 -24.208 5.245 -9.320 1.00 45.53 H new ATOM 609 N ASP A 38 -25.336 1.273 -6.863 1.00 65.24 N ATOM 610 CA ASP A 38 -26.567 0.700 -6.309 1.00 54.25 C ATOM 611 C ASP A 38 -27.391 -0.112 -7.326 1.00 64.44 C ATOM 612 O ASP A 38 -28.518 -0.506 -7.043 1.00 1.30 O ATOM 613 CB ASP A 38 -27.414 1.824 -5.679 1.00 42.35 C ATOM 614 CG ASP A 38 -28.307 1.350 -4.528 1.00 12.33 C ATOM 615 OD1 ASP A 38 -28.022 0.288 -3.940 1.00 21.31 O ATOM 616 OD2 ASP A 38 -29.145 2.174 -4.083 1.00 54.25 O ATOM 0 H ASP A 38 -25.369 2.290 -6.936 1.00 65.24 H new ATOM 0 HA ASP A 38 -26.270 -0.019 -5.545 1.00 54.25 H new ATOM 0 HB2 ASP A 38 -26.749 2.606 -5.313 1.00 42.35 H new ATOM 0 HB3 ASP A 38 -28.039 2.272 -6.451 1.00 42.35 H new ATOM 621 N ASP A 39 -26.853 -0.355 -8.526 1.00 13.43 N ATOM 622 CA ASP A 39 -27.457 -1.154 -9.591 1.00 11.13 C ATOM 623 C ASP A 39 -26.965 -2.607 -9.541 1.00 2.24 C ATOM 624 O ASP A 39 -27.461 -3.470 -10.264 1.00 31.20 O ATOM 625 CB ASP A 39 -27.078 -0.523 -10.939 1.00 54.54 C ATOM 626 CG ASP A 39 -28.276 -0.318 -11.848 1.00 54.11 C ATOM 627 OD1 ASP A 39 -28.871 -1.315 -12.293 1.00 63.34 O ATOM 628 OD2 ASP A 39 -28.572 0.870 -12.133 1.00 43.32 O ATOM 0 H ASP A 39 -25.942 0.019 -8.791 1.00 13.43 H new ATOM 0 HA ASP A 39 -28.539 -1.166 -9.462 1.00 11.13 H new ATOM 0 HB2 ASP A 39 -26.593 0.437 -10.762 1.00 54.54 H new ATOM 0 HB3 ASP A 39 -26.350 -1.160 -11.442 1.00 54.54 H new ATOM 633 N GLY A 40 -25.961 -2.898 -8.708 1.00 73.43 N ATOM 634 CA GLY A 40 -25.208 -4.139 -8.724 1.00 44.32 C ATOM 635 C GLY A 40 -24.019 -3.931 -9.640 1.00 22.33 C ATOM 636 O GLY A 40 -23.069 -3.268 -9.240 1.00 14.43 O ATOM 0 H GLY A 40 -25.647 -2.251 -7.985 1.00 73.43 H new ATOM 0 HA2 GLY A 40 -24.878 -4.401 -7.719 1.00 44.32 H new ATOM 0 HA3 GLY A 40 -25.829 -4.961 -9.080 1.00 44.32 H new ATOM 640 N GLU A 41 -24.070 -4.450 -10.866 1.00 73.35 N ATOM 641 CA GLU A 41 -22.953 -4.520 -11.809 1.00 14.50 C ATOM 642 C GLU A 41 -22.731 -3.168 -12.497 1.00 32.43 C ATOM 643 O GLU A 41 -22.809 -3.044 -13.718 1.00 73.01 O ATOM 644 CB GLU A 41 -23.202 -5.592 -12.878 1.00 72.13 C ATOM 645 CG GLU A 41 -23.330 -7.028 -12.377 1.00 64.34 C ATOM 646 CD GLU A 41 -23.188 -7.992 -13.559 1.00 33.11 C ATOM 647 OE1 GLU A 41 -23.889 -7.806 -14.588 1.00 22.34 O ATOM 648 OE2 GLU A 41 -22.324 -8.901 -13.495 1.00 53.53 O ATOM 0 H GLU A 41 -24.928 -4.851 -11.246 1.00 73.35 H new ATOM 0 HA GLU A 41 -22.063 -4.783 -11.238 1.00 14.50 H new ATOM 0 HB2 GLU A 41 -24.115 -5.334 -13.415 1.00 72.13 H new ATOM 0 HB3 GLU A 41 -22.386 -5.552 -13.599 1.00 72.13 H new ATOM 0 HG2 GLU A 41 -22.563 -7.234 -11.631 1.00 64.34 H new ATOM 0 HG3 GLU A 41 -24.295 -7.171 -11.890 1.00 64.34 H new ATOM 655 N THR A 42 -22.480 -2.128 -11.721 1.00 10.53 N ATOM 656 CA THR A 42 -22.266 -0.782 -12.225 1.00 2.10 C ATOM 657 C THR A 42 -20.831 -0.360 -11.970 1.00 30.41 C ATOM 658 O THR A 42 -20.399 -0.228 -10.822 1.00 71.14 O ATOM 659 CB THR A 42 -23.285 0.203 -11.647 1.00 53.13 C ATOM 660 OG1 THR A 42 -23.990 -0.334 -10.540 1.00 63.24 O ATOM 661 CG2 THR A 42 -24.259 0.621 -12.746 1.00 51.23 C ATOM 0 H THR A 42 -22.418 -2.196 -10.705 1.00 10.53 H new ATOM 0 HA THR A 42 -22.426 -0.776 -13.303 1.00 2.10 H new ATOM 0 HB THR A 42 -22.740 1.072 -11.279 1.00 53.13 H new ATOM 0 HG1 THR A 42 -23.356 -0.566 -9.830 1.00 63.24 H new ATOM 0 HG21 THR A 42 -24.987 1.323 -12.339 1.00 51.23 H new ATOM 0 HG22 THR A 42 -23.709 1.098 -13.557 1.00 51.23 H new ATOM 0 HG23 THR A 42 -24.777 -0.259 -13.127 1.00 51.23 H new ATOM 669 N GLU A 43 -20.105 -0.171 -13.069 1.00 13.53 N ATOM 670 CA GLU A 43 -18.732 0.284 -13.059 1.00 63.34 C ATOM 671 C GLU A 43 -18.680 1.701 -12.522 1.00 25.14 C ATOM 672 O GLU A 43 -19.513 2.553 -12.841 1.00 41.34 O ATOM 673 CB GLU A 43 -18.095 0.193 -14.454 1.00 34.14 C ATOM 674 CG GLU A 43 -18.736 1.089 -15.528 1.00 24.20 C ATOM 675 CD GLU A 43 -18.392 0.548 -16.911 1.00 64.53 C ATOM 676 OE1 GLU A 43 -17.237 0.709 -17.365 1.00 43.42 O ATOM 677 OE2 GLU A 43 -19.216 -0.173 -17.525 1.00 73.15 O ATOM 0 H GLU A 43 -20.470 -0.336 -14.007 1.00 13.53 H new ATOM 0 HA GLU A 43 -18.150 -0.368 -12.407 1.00 63.34 H new ATOM 0 HB2 GLU A 43 -17.039 0.452 -14.371 1.00 34.14 H new ATOM 0 HB3 GLU A 43 -18.144 -0.842 -14.791 1.00 34.14 H new ATOM 0 HG2 GLU A 43 -19.818 1.117 -15.395 1.00 24.20 H new ATOM 0 HG3 GLU A 43 -18.375 2.113 -15.426 1.00 24.20 H new ATOM 684 N GLN A 44 -17.666 1.956 -11.713 1.00 12.10 N ATOM 685 CA GLN A 44 -17.396 3.244 -11.131 1.00 54.32 C ATOM 686 C GLN A 44 -15.884 3.319 -10.967 1.00 25.54 C ATOM 687 O GLN A 44 -15.245 2.284 -10.770 1.00 22.33 O ATOM 688 CB GLN A 44 -18.110 3.294 -9.770 1.00 4.20 C ATOM 689 CG GLN A 44 -18.163 4.724 -9.225 1.00 2.11 C ATOM 690 CD GLN A 44 -18.205 4.833 -7.721 1.00 42.14 C ATOM 691 OE1 GLN A 44 -18.993 5.597 -7.182 1.00 52.21 O ATOM 692 NE2 GLN A 44 -17.308 4.151 -7.027 1.00 42.22 N ATOM 0 H GLN A 44 -16.990 1.243 -11.439 1.00 12.10 H new ATOM 0 HA GLN A 44 -17.747 4.080 -11.736 1.00 54.32 H new ATOM 0 HB2 GLN A 44 -19.122 2.903 -9.873 1.00 4.20 H new ATOM 0 HB3 GLN A 44 -17.591 2.650 -9.060 1.00 4.20 H new ATOM 0 HG2 GLN A 44 -17.291 5.268 -9.589 1.00 2.11 H new ATOM 0 HG3 GLN A 44 -19.043 5.220 -9.635 1.00 2.11 H new ATOM 0 HE21 GLN A 44 -16.664 3.521 -7.506 1.00 42.22 H new ATOM 0 HE22 GLN A 44 -17.261 4.255 -6.013 1.00 42.22 H new ATOM 701 N THR A 45 -15.319 4.522 -10.921 1.00 50.23 N ATOM 702 CA THR A 45 -14.001 4.736 -10.347 1.00 50.34 C ATOM 703 C THR A 45 -14.083 5.845 -9.311 1.00 22.42 C ATOM 704 O THR A 45 -15.073 6.577 -9.250 1.00 23.30 O ATOM 705 CB THR A 45 -12.945 5.010 -11.431 1.00 70.32 C ATOM 706 OG1 THR A 45 -13.170 6.241 -12.101 1.00 63.45 O ATOM 707 CG2 THR A 45 -12.877 3.893 -12.463 1.00 13.22 C ATOM 0 H THR A 45 -15.761 5.369 -11.279 1.00 50.23 H new ATOM 0 HA THR A 45 -13.673 3.825 -9.846 1.00 50.34 H new ATOM 0 HB THR A 45 -11.994 5.063 -10.902 1.00 70.32 H new ATOM 0 HG1 THR A 45 -12.476 6.376 -12.779 1.00 63.45 H new ATOM 0 HG21 THR A 45 -12.118 4.131 -13.208 1.00 13.22 H new ATOM 0 HG22 THR A 45 -12.619 2.956 -11.969 1.00 13.22 H new ATOM 0 HG23 THR A 45 -13.845 3.790 -12.953 1.00 13.22 H new ATOM 715 N PHE A 46 -13.053 5.957 -8.486 1.00 51.45 N ATOM 716 CA PHE A 46 -12.937 6.978 -7.439 1.00 30.32 C ATOM 717 C PHE A 46 -11.581 7.685 -7.509 1.00 50.33 C ATOM 718 O PHE A 46 -10.625 7.076 -7.991 1.00 14.13 O ATOM 719 CB PHE A 46 -13.187 6.335 -6.058 1.00 3.12 C ATOM 720 CG PHE A 46 -14.416 6.868 -5.349 1.00 23.50 C ATOM 721 CD1 PHE A 46 -15.691 6.754 -5.928 1.00 72.25 C ATOM 722 CD2 PHE A 46 -14.265 7.546 -4.129 1.00 25.14 C ATOM 723 CE1 PHE A 46 -16.812 7.329 -5.298 1.00 62.22 C ATOM 724 CE2 PHE A 46 -15.376 8.155 -3.516 1.00 72.55 C ATOM 725 CZ PHE A 46 -16.652 8.038 -4.096 1.00 24.21 C ATOM 0 H PHE A 46 -12.251 5.328 -8.522 1.00 51.45 H new ATOM 0 HA PHE A 46 -13.696 7.744 -7.598 1.00 30.32 H new ATOM 0 HB2 PHE A 46 -13.290 5.257 -6.183 1.00 3.12 H new ATOM 0 HB3 PHE A 46 -12.314 6.501 -5.427 1.00 3.12 H new ATOM 0 HD1 PHE A 46 -15.812 6.223 -6.861 1.00 72.25 H new ATOM 0 HD2 PHE A 46 -13.294 7.600 -3.660 1.00 25.14 H new ATOM 0 HE1 PHE A 46 -17.793 7.225 -5.738 1.00 62.22 H new ATOM 0 HE2 PHE A 46 -15.249 8.712 -2.600 1.00 72.55 H new ATOM 0 HZ PHE A 46 -17.507 8.492 -3.618 1.00 24.21 H new ATOM 735 N PRO A 47 -11.449 8.926 -7.006 1.00 61.23 N ATOM 736 CA PRO A 47 -10.199 9.687 -6.993 1.00 24.41 C ATOM 737 C PRO A 47 -9.196 9.091 -5.996 1.00 11.03 C ATOM 738 O PRO A 47 -9.444 9.107 -4.786 1.00 64.11 O ATOM 739 CB PRO A 47 -10.604 11.124 -6.635 1.00 4.20 C ATOM 740 CG PRO A 47 -11.888 10.944 -5.830 1.00 74.22 C ATOM 741 CD PRO A 47 -12.539 9.747 -6.502 1.00 3.02 C ATOM 0 HA PRO A 47 -9.688 9.657 -7.955 1.00 24.41 H new ATOM 0 HB2 PRO A 47 -9.832 11.625 -6.051 1.00 4.20 H new ATOM 0 HB3 PRO A 47 -10.771 11.728 -7.527 1.00 4.20 H new ATOM 0 HG2 PRO A 47 -11.682 10.754 -4.777 1.00 74.22 H new ATOM 0 HG3 PRO A 47 -12.522 11.829 -5.877 1.00 74.22 H new ATOM 0 HD2 PRO A 47 -13.153 9.189 -5.795 1.00 3.02 H new ATOM 0 HD3 PRO A 47 -13.195 10.064 -7.313 1.00 3.02 H new ATOM 749 N PHE A 48 -8.083 8.538 -6.486 1.00 64.51 N ATOM 750 CA PHE A 48 -7.032 7.892 -5.702 1.00 41.03 C ATOM 751 C PHE A 48 -5.994 8.959 -5.401 1.00 11.13 C ATOM 752 O PHE A 48 -5.439 9.509 -6.352 1.00 23.33 O ATOM 753 CB PHE A 48 -6.391 6.727 -6.494 1.00 22.31 C ATOM 754 CG PHE A 48 -6.533 6.806 -7.999 1.00 23.12 C ATOM 755 CD1 PHE A 48 -7.747 6.464 -8.598 1.00 1.23 C ATOM 756 CD2 PHE A 48 -5.478 7.255 -8.800 1.00 52.43 C ATOM 757 CE1 PHE A 48 -7.933 6.614 -9.984 1.00 45.41 C ATOM 758 CE2 PHE A 48 -5.634 7.369 -10.188 1.00 24.12 C ATOM 759 CZ PHE A 48 -6.858 7.037 -10.781 1.00 42.34 C ATOM 0 H PHE A 48 -7.883 8.529 -7.486 1.00 64.51 H new ATOM 0 HA PHE A 48 -7.441 7.469 -4.784 1.00 41.03 H new ATOM 0 HB2 PHE A 48 -5.330 6.684 -6.248 1.00 22.31 H new ATOM 0 HB3 PHE A 48 -6.835 5.792 -6.153 1.00 22.31 H new ATOM 0 HD1 PHE A 48 -8.553 6.080 -7.990 1.00 1.23 H new ATOM 0 HD2 PHE A 48 -4.534 7.516 -8.345 1.00 52.43 H new ATOM 0 HE1 PHE A 48 -8.894 6.406 -10.431 1.00 45.41 H new ATOM 0 HE2 PHE A 48 -4.812 7.712 -10.799 1.00 24.12 H new ATOM 0 HZ PHE A 48 -6.975 7.106 -11.852 1.00 42.34 H new ATOM 769 N THR A 49 -5.759 9.288 -4.139 1.00 12.04 N ATOM 770 CA THR A 49 -4.828 10.357 -3.770 1.00 2.11 C ATOM 771 C THR A 49 -4.185 10.056 -2.409 1.00 43.33 C ATOM 772 O THR A 49 -4.549 9.088 -1.733 1.00 61.32 O ATOM 773 CB THR A 49 -5.546 11.728 -3.752 1.00 42.44 C ATOM 774 OG1 THR A 49 -6.493 11.755 -2.705 1.00 14.32 O ATOM 775 CG2 THR A 49 -6.199 12.148 -5.075 1.00 34.33 C ATOM 0 H THR A 49 -6.202 8.828 -3.344 1.00 12.04 H new ATOM 0 HA THR A 49 -4.038 10.403 -4.520 1.00 2.11 H new ATOM 0 HB THR A 49 -4.760 12.465 -3.587 1.00 42.44 H new ATOM 0 HG1 THR A 49 -6.945 12.625 -2.695 1.00 14.32 H new ATOM 0 HG21 THR A 49 -6.674 13.122 -4.954 1.00 34.33 H new ATOM 0 HG22 THR A 49 -5.438 12.210 -5.853 1.00 34.33 H new ATOM 0 HG23 THR A 49 -6.950 11.411 -5.360 1.00 34.33 H new ATOM 783 N ARG A 50 -3.296 10.953 -1.955 1.00 65.31 N ATOM 784 CA ARG A 50 -2.791 11.008 -0.580 1.00 14.41 C ATOM 785 C ARG A 50 -3.934 10.909 0.443 1.00 63.22 C ATOM 786 O ARG A 50 -3.739 10.344 1.517 1.00 54.03 O ATOM 787 CB ARG A 50 -1.972 12.309 -0.396 1.00 61.31 C ATOM 788 CG ARG A 50 -1.538 12.532 1.064 1.00 44.05 C ATOM 789 CD ARG A 50 -0.780 13.843 1.306 1.00 23.54 C ATOM 790 NE ARG A 50 -0.584 14.065 2.754 1.00 5.42 N ATOM 791 CZ ARG A 50 -1.499 14.531 3.619 1.00 14.01 C ATOM 792 NH1 ARG A 50 -2.675 14.981 3.203 1.00 12.22 N ATOM 793 NH2 ARG A 50 -1.243 14.535 4.920 1.00 30.11 N ATOM 0 H ARG A 50 -2.900 11.678 -2.553 1.00 65.31 H new ATOM 0 HA ARG A 50 -2.142 10.151 -0.402 1.00 14.41 H new ATOM 0 HB2 ARG A 50 -1.088 12.271 -1.032 1.00 61.31 H new ATOM 0 HB3 ARG A 50 -2.568 13.159 -0.728 1.00 61.31 H new ATOM 0 HG2 ARG A 50 -2.423 12.515 1.700 1.00 44.05 H new ATOM 0 HG3 ARG A 50 -0.907 11.699 1.374 1.00 44.05 H new ATOM 0 HD2 ARG A 50 0.186 13.810 0.803 1.00 23.54 H new ATOM 0 HD3 ARG A 50 -1.335 14.676 0.876 1.00 23.54 H new ATOM 0 HE ARG A 50 0.336 13.842 3.133 1.00 5.42 H new ATOM 0 HH11 ARG A 50 -2.899 14.978 2.208 1.00 12.22 H new ATOM 0 HH12 ARG A 50 -3.355 15.330 3.878 1.00 12.22 H new ATOM 0 HH21 ARG A 50 -0.350 14.184 5.265 1.00 30.11 H new ATOM 0 HH22 ARG A 50 -1.939 14.889 5.576 1.00 30.11 H new ATOM 807 N GLU A 51 -5.124 11.416 0.111 1.00 62.33 N ATOM 808 CA GLU A 51 -6.277 11.505 1.006 1.00 61.51 C ATOM 809 C GLU A 51 -6.826 10.120 1.396 1.00 70.44 C ATOM 810 O GLU A 51 -7.719 10.012 2.239 1.00 50.13 O ATOM 811 CB GLU A 51 -7.363 12.363 0.317 1.00 34.11 C ATOM 812 CG GLU A 51 -8.130 13.297 1.256 1.00 70.43 C ATOM 813 CD GLU A 51 -7.332 14.570 1.543 1.00 34.11 C ATOM 814 OE1 GLU A 51 -6.246 14.474 2.180 1.00 65.14 O ATOM 815 OE2 GLU A 51 -7.745 15.665 1.132 1.00 53.42 O ATOM 0 H GLU A 51 -5.316 11.788 -0.819 1.00 62.33 H new ATOM 0 HA GLU A 51 -5.964 11.975 1.938 1.00 61.51 H new ATOM 0 HB2 GLU A 51 -6.893 12.961 -0.464 1.00 34.11 H new ATOM 0 HB3 GLU A 51 -8.074 11.699 -0.174 1.00 34.11 H new ATOM 0 HG2 GLU A 51 -9.089 13.559 0.809 1.00 70.43 H new ATOM 0 HG3 GLU A 51 -8.345 12.780 2.192 1.00 70.43 H new ATOM 822 N LYS A 52 -6.310 9.043 0.788 1.00 63.53 N ATOM 823 CA LYS A 52 -6.594 7.650 1.083 1.00 41.41 C ATOM 824 C LYS A 52 -5.271 6.910 0.900 1.00 34.33 C ATOM 825 O LYS A 52 -5.076 6.112 -0.022 1.00 50.44 O ATOM 826 CB LYS A 52 -7.788 7.120 0.267 1.00 32.44 C ATOM 827 CG LYS A 52 -7.789 7.600 -1.194 1.00 22.40 C ATOM 828 CD LYS A 52 -8.728 6.775 -2.085 1.00 50.12 C ATOM 829 CE LYS A 52 -10.134 7.317 -2.356 1.00 50.41 C ATOM 830 NZ LYS A 52 -11.074 7.117 -1.236 1.00 43.21 N ATOM 0 H LYS A 52 -5.638 9.139 0.026 1.00 63.53 H new ATOM 0 HA LYS A 52 -6.938 7.493 2.105 1.00 41.41 H new ATOM 0 HB2 LYS A 52 -7.775 6.030 0.284 1.00 32.44 H new ATOM 0 HB3 LYS A 52 -8.715 7.435 0.746 1.00 32.44 H new ATOM 0 HG2 LYS A 52 -8.089 8.647 -1.228 1.00 22.40 H new ATOM 0 HG3 LYS A 52 -6.776 7.545 -1.591 1.00 22.40 H new ATOM 0 HD2 LYS A 52 -8.235 6.634 -3.047 1.00 50.12 H new ATOM 0 HD3 LYS A 52 -8.833 5.789 -1.633 1.00 50.12 H new ATOM 0 HE2 LYS A 52 -10.067 8.382 -2.576 1.00 50.41 H new ATOM 0 HE3 LYS A 52 -10.535 6.832 -3.246 1.00 50.41 H new ATOM 0 HZ1 LYS A 52 -11.999 7.523 -1.483 1.00 43.21 H new ATOM 0 HZ2 LYS A 52 -11.181 6.099 -1.050 1.00 43.21 H new ATOM 0 HZ3 LYS A 52 -10.705 7.588 -0.385 1.00 43.21 H new ATOM 844 N TRP A 53 -4.314 7.302 1.737 1.00 74.11 N ATOM 845 CA TRP A 53 -3.093 6.583 2.018 1.00 25.24 C ATOM 846 C TRP A 53 -3.208 5.919 3.392 1.00 23.31 C ATOM 847 O TRP A 53 -3.870 6.487 4.263 1.00 2.34 O ATOM 848 CB TRP A 53 -1.899 7.545 1.989 1.00 33.54 C ATOM 849 CG TRP A 53 -0.580 6.874 2.217 1.00 33.12 C ATOM 850 CD1 TRP A 53 0.028 6.725 3.417 1.00 22.12 C ATOM 851 CD2 TRP A 53 0.260 6.178 1.248 1.00 3.42 C ATOM 852 NE1 TRP A 53 1.145 5.932 3.261 1.00 42.42 N ATOM 853 CE2 TRP A 53 1.345 5.579 1.948 1.00 24.24 C ATOM 854 CE3 TRP A 53 0.208 5.975 -0.148 1.00 25.13 C ATOM 855 CZ2 TRP A 53 2.300 4.777 1.311 1.00 25.31 C ATOM 856 CZ3 TRP A 53 1.196 5.215 -0.807 1.00 50.42 C ATOM 857 CH2 TRP A 53 2.232 4.607 -0.077 1.00 62.51 C ATOM 0 H TRP A 53 -4.381 8.175 2.260 1.00 74.11 H new ATOM 0 HA TRP A 53 -2.936 5.817 1.259 1.00 25.24 H new ATOM 0 HB2 TRP A 53 -1.876 8.053 1.025 1.00 33.54 H new ATOM 0 HB3 TRP A 53 -2.043 8.312 2.750 1.00 33.54 H new ATOM 0 HD1 TRP A 53 -0.308 7.158 4.348 1.00 22.12 H new ATOM 0 HE1 TRP A 53 1.751 5.642 4.029 1.00 42.42 H new ATOM 0 HE3 TRP A 53 -0.600 6.408 -0.719 1.00 25.13 H new ATOM 0 HZ2 TRP A 53 3.079 4.296 1.883 1.00 25.31 H new ATOM 0 HZ3 TRP A 53 1.157 5.099 -1.880 1.00 50.42 H new ATOM 0 HH2 TRP A 53 2.974 4.010 -0.586 1.00 62.51 H new ATOM 868 N ALA A 54 -2.539 4.786 3.630 1.00 64.22 N ATOM 869 CA ALA A 54 -2.482 4.145 4.929 1.00 52.14 C ATOM 870 C ALA A 54 -1.024 3.770 5.199 1.00 71.13 C ATOM 871 O ALA A 54 -0.359 3.172 4.340 1.00 44.44 O ATOM 872 CB ALA A 54 -3.376 2.923 4.970 1.00 10.31 C ATOM 0 H ALA A 54 -2.017 4.288 2.909 1.00 64.22 H new ATOM 0 HA ALA A 54 -2.843 4.825 5.701 1.00 52.14 H new ATOM 0 HB1 ALA A 54 -3.315 2.461 5.955 1.00 10.31 H new ATOM 0 HB2 ALA A 54 -4.406 3.219 4.771 1.00 10.31 H new ATOM 0 HB3 ALA A 54 -3.051 2.209 4.213 1.00 10.31 H new ATOM 878 N LEU A 55 -0.524 4.122 6.378 1.00 21.51 N ATOM 879 CA LEU A 55 0.891 3.927 6.746 1.00 14.22 C ATOM 880 C LEU A 55 1.206 2.436 6.891 1.00 10.21 C ATOM 881 O LEU A 55 0.382 1.694 7.412 1.00 71.23 O ATOM 882 CB LEU A 55 1.227 4.728 8.028 1.00 5.41 C ATOM 883 CG LEU A 55 1.150 6.250 7.793 1.00 4.22 C ATOM 884 CD1 LEU A 55 1.083 7.112 9.066 1.00 1.04 C ATOM 885 CD2 LEU A 55 2.319 6.740 6.912 1.00 10.40 C ATOM 0 H LEU A 55 -1.083 4.553 7.114 1.00 21.51 H new ATOM 0 HA LEU A 55 1.527 4.312 5.948 1.00 14.22 H new ATOM 0 HB2 LEU A 55 0.535 4.448 8.822 1.00 5.41 H new ATOM 0 HB3 LEU A 55 2.228 4.464 8.369 1.00 5.41 H new ATOM 0 HG LEU A 55 0.197 6.387 7.283 1.00 4.22 H new ATOM 0 HD11 LEU A 55 1.032 8.165 8.790 1.00 1.04 H new ATOM 0 HD12 LEU A 55 0.197 6.844 9.641 1.00 1.04 H new ATOM 0 HD13 LEU A 55 1.973 6.938 9.670 1.00 1.04 H new ATOM 0 HD21 LEU A 55 2.237 7.817 6.764 1.00 10.40 H new ATOM 0 HD22 LEU A 55 3.265 6.512 7.403 1.00 10.40 H new ATOM 0 HD23 LEU A 55 2.282 6.237 5.945 1.00 10.40 H new ATOM 897 N LEU A 56 2.345 1.962 6.382 1.00 43.25 N ATOM 898 CA LEU A 56 2.649 0.518 6.291 1.00 71.11 C ATOM 899 C LEU A 56 3.619 0.088 7.395 1.00 53.20 C ATOM 900 O LEU A 56 4.575 0.824 7.661 1.00 24.31 O ATOM 901 CB LEU A 56 3.296 0.162 4.940 1.00 51.34 C ATOM 902 CG LEU A 56 2.565 0.619 3.661 1.00 25.51 C ATOM 903 CD1 LEU A 56 3.614 0.986 2.601 1.00 62.40 C ATOM 904 CD2 LEU A 56 1.636 -0.475 3.129 1.00 14.43 C ATOM 0 H LEU A 56 3.087 2.561 6.020 1.00 43.25 H new ATOM 0 HA LEU A 56 1.698 -0.003 6.397 1.00 71.11 H new ATOM 0 HB2 LEU A 56 4.300 0.587 4.925 1.00 51.34 H new ATOM 0 HB3 LEU A 56 3.408 -0.921 4.895 1.00 51.34 H new ATOM 0 HG LEU A 56 1.947 1.486 3.895 1.00 25.51 H new ATOM 0 HD11 LEU A 56 3.112 1.311 1.690 1.00 62.40 H new ATOM 0 HD12 LEU A 56 4.244 1.793 2.976 1.00 62.40 H new ATOM 0 HD13 LEU A 56 4.232 0.115 2.384 1.00 62.40 H new ATOM 0 HD21 LEU A 56 1.136 -0.121 2.227 1.00 14.43 H new ATOM 0 HD22 LEU A 56 2.219 -1.365 2.895 1.00 14.43 H new ATOM 0 HD23 LEU A 56 0.890 -0.719 3.886 1.00 14.43 H new ATOM 916 N ASP A 57 3.464 -1.116 7.953 1.00 45.31 N ATOM 917 CA ASP A 57 4.383 -1.665 8.960 1.00 75.43 C ATOM 918 C ASP A 57 5.588 -2.328 8.294 1.00 32.34 C ATOM 919 O ASP A 57 5.599 -2.609 7.095 1.00 73.14 O ATOM 920 CB ASP A 57 3.726 -2.751 9.836 1.00 12.32 C ATOM 921 CG ASP A 57 2.353 -2.393 10.388 1.00 73.33 C ATOM 922 OD1 ASP A 57 2.224 -1.356 11.060 1.00 12.32 O ATOM 923 OD2 ASP A 57 1.398 -3.181 10.166 1.00 3.11 O ATOM 0 H ASP A 57 2.694 -1.742 7.719 1.00 45.31 H new ATOM 0 HA ASP A 57 4.675 -0.814 9.575 1.00 75.43 H new ATOM 0 HB2 ASP A 57 3.637 -3.665 9.249 1.00 12.32 H new ATOM 0 HB3 ASP A 57 4.390 -2.972 10.672 1.00 12.32 H new ATOM 928 N GLU A 58 6.583 -2.702 9.094 1.00 64.43 N ATOM 929 CA GLU A 58 7.653 -3.584 8.645 1.00 60.22 C ATOM 930 C GLU A 58 7.154 -5.002 8.383 1.00 12.22 C ATOM 931 O GLU A 58 7.532 -5.607 7.388 1.00 50.03 O ATOM 932 CB GLU A 58 8.842 -3.539 9.589 1.00 55.22 C ATOM 933 CG GLU A 58 8.486 -3.826 11.041 1.00 73.44 C ATOM 934 CD GLU A 58 9.716 -3.604 11.910 1.00 21.51 C ATOM 935 OE1 GLU A 58 10.148 -2.437 12.048 1.00 71.52 O ATOM 936 OE2 GLU A 58 10.314 -4.632 12.322 1.00 40.14 O ATOM 0 H GLU A 58 6.669 -2.404 10.066 1.00 64.43 H new ATOM 0 HA GLU A 58 8.006 -3.210 7.684 1.00 60.22 H new ATOM 0 HB2 GLU A 58 9.585 -4.264 9.257 1.00 55.22 H new ATOM 0 HB3 GLU A 58 9.307 -2.555 9.526 1.00 55.22 H new ATOM 0 HG2 GLU A 58 7.675 -3.174 11.365 1.00 73.44 H new ATOM 0 HG3 GLU A 58 8.132 -4.852 11.146 1.00 73.44 H new ATOM 943 N GLU A 59 6.242 -5.505 9.214 1.00 33.55 N ATOM 944 CA GLU A 59 5.576 -6.781 8.959 1.00 41.13 C ATOM 945 C GLU A 59 4.651 -6.700 7.738 1.00 74.34 C ATOM 946 O GLU A 59 4.270 -7.732 7.185 1.00 50.14 O ATOM 947 CB GLU A 59 4.736 -7.202 10.165 1.00 53.24 C ATOM 948 CG GLU A 59 5.526 -7.429 11.457 1.00 64.31 C ATOM 949 CD GLU A 59 4.662 -8.203 12.450 1.00 61.31 C ATOM 950 OE1 GLU A 59 3.486 -7.849 12.669 1.00 40.30 O ATOM 951 OE2 GLU A 59 5.113 -9.254 12.970 1.00 62.54 O ATOM 0 H GLU A 59 5.946 -5.045 10.075 1.00 33.55 H new ATOM 0 HA GLU A 59 6.361 -7.514 8.771 1.00 41.13 H new ATOM 0 HB2 GLU A 59 3.982 -6.437 10.348 1.00 53.24 H new ATOM 0 HB3 GLU A 59 4.205 -8.121 9.916 1.00 53.24 H new ATOM 0 HG2 GLU A 59 6.440 -7.983 11.245 1.00 64.31 H new ATOM 0 HG3 GLU A 59 5.825 -6.473 11.886 1.00 64.31 H new ATOM 958 N THR A 60 4.265 -5.492 7.317 1.00 62.34 N ATOM 959 CA THR A 60 3.582 -5.300 6.053 1.00 5.03 C ATOM 960 C THR A 60 4.605 -5.526 4.939 1.00 12.35 C ATOM 961 O THR A 60 4.394 -6.395 4.095 1.00 21.52 O ATOM 962 CB THR A 60 2.939 -3.906 5.986 1.00 23.34 C ATOM 963 OG1 THR A 60 2.145 -3.646 7.126 1.00 11.03 O ATOM 964 CG2 THR A 60 2.013 -3.791 4.787 1.00 25.13 C ATOM 0 H THR A 60 4.419 -4.632 7.844 1.00 62.34 H new ATOM 0 HA THR A 60 2.764 -6.011 5.940 1.00 5.03 H new ATOM 0 HB THR A 60 3.764 -3.197 5.919 1.00 23.34 H new ATOM 0 HG1 THR A 60 1.412 -3.042 6.884 1.00 11.03 H new ATOM 0 HG21 THR A 60 1.571 -2.795 4.763 1.00 25.13 H new ATOM 0 HG22 THR A 60 2.581 -3.958 3.872 1.00 25.13 H new ATOM 0 HG23 THR A 60 1.222 -4.537 4.865 1.00 25.13 H new ATOM 972 N LEU A 61 5.721 -4.790 4.935 1.00 13.01 N ATOM 973 CA LEU A 61 6.739 -4.871 3.905 1.00 14.15 C ATOM 974 C LEU A 61 7.776 -5.883 4.361 1.00 21.55 C ATOM 975 O LEU A 61 8.937 -5.542 4.602 1.00 64.20 O ATOM 976 CB LEU A 61 7.317 -3.471 3.681 1.00 14.34 C ATOM 977 CG LEU A 61 6.551 -2.564 2.698 1.00 45.21 C ATOM 978 CD1 LEU A 61 5.051 -2.820 2.517 1.00 32.15 C ATOM 979 CD2 LEU A 61 6.739 -1.130 3.193 1.00 22.43 C ATOM 0 H LEU A 61 5.938 -4.111 5.665 1.00 13.01 H new ATOM 0 HA LEU A 61 6.342 -5.208 2.947 1.00 14.15 H new ATOM 0 HB2 LEU A 61 7.368 -2.964 4.645 1.00 14.34 H new ATOM 0 HB3 LEU A 61 8.341 -3.577 3.322 1.00 14.34 H new ATOM 0 HG LEU A 61 6.970 -2.777 1.714 1.00 45.21 H new ATOM 0 HD11 LEU A 61 4.645 -2.109 1.798 1.00 32.15 H new ATOM 0 HD12 LEU A 61 4.897 -3.835 2.150 1.00 32.15 H new ATOM 0 HD13 LEU A 61 4.543 -2.699 3.474 1.00 32.15 H new ATOM 0 HD21 LEU A 61 6.214 -0.444 2.529 1.00 22.43 H new ATOM 0 HD22 LEU A 61 6.337 -1.038 4.202 1.00 22.43 H new ATOM 0 HD23 LEU A 61 7.801 -0.884 3.202 1.00 22.43 H new ATOM 991 N LYS A 62 7.351 -7.140 4.478 1.00 13.04 N ATOM 992 CA LYS A 62 8.234 -8.255 4.760 1.00 61.43 C ATOM 993 C LYS A 62 8.207 -9.211 3.584 1.00 61.22 C ATOM 994 O LYS A 62 7.236 -9.257 2.835 1.00 50.20 O ATOM 995 CB LYS A 62 7.800 -8.985 6.036 1.00 25.54 C ATOM 996 CG LYS A 62 8.883 -8.950 7.120 1.00 32.14 C ATOM 997 CD LYS A 62 8.442 -9.716 8.376 1.00 60.14 C ATOM 998 CE LYS A 62 8.937 -11.167 8.474 1.00 41.42 C ATOM 999 NZ LYS A 62 8.505 -12.046 7.360 1.00 44.42 N ATOM 0 H LYS A 62 6.372 -7.409 4.377 1.00 13.04 H new ATOM 0 HA LYS A 62 9.246 -7.879 4.913 1.00 61.43 H new ATOM 0 HB2 LYS A 62 6.888 -8.529 6.421 1.00 25.54 H new ATOM 0 HB3 LYS A 62 7.562 -10.021 5.796 1.00 25.54 H new ATOM 0 HG2 LYS A 62 9.804 -9.385 6.731 1.00 32.14 H new ATOM 0 HG3 LYS A 62 9.105 -7.915 7.382 1.00 32.14 H new ATOM 0 HD2 LYS A 62 8.791 -9.172 9.253 1.00 60.14 H new ATOM 0 HD3 LYS A 62 7.353 -9.719 8.415 1.00 60.14 H new ATOM 0 HE2 LYS A 62 10.026 -11.163 8.514 1.00 41.42 H new ATOM 0 HE3 LYS A 62 8.585 -11.594 9.413 1.00 41.42 H new ATOM 0 HZ1 LYS A 62 8.883 -13.004 7.507 1.00 44.42 H new ATOM 0 HZ2 LYS A 62 7.466 -12.084 7.331 1.00 44.42 H new ATOM 0 HZ3 LYS A 62 8.863 -11.667 6.460 1.00 44.42 H new ATOM 1013 N GLU A 63 9.219 -10.061 3.493 1.00 54.14 N ATOM 1014 CA GLU A 63 9.257 -11.131 2.511 1.00 3.22 C ATOM 1015 C GLU A 63 9.186 -12.466 3.239 1.00 50.04 C ATOM 1016 O GLU A 63 9.894 -12.699 4.228 1.00 41.32 O ATOM 1017 CB GLU A 63 10.503 -11.055 1.623 1.00 63.31 C ATOM 1018 CG GLU A 63 10.690 -9.719 0.903 1.00 65.42 C ATOM 1019 CD GLU A 63 12.092 -9.628 0.288 1.00 22.21 C ATOM 1020 OE1 GLU A 63 12.506 -10.602 -0.367 1.00 12.15 O ATOM 1021 OE2 GLU A 63 12.759 -8.576 0.482 1.00 32.43 O ATOM 0 H GLU A 63 10.038 -10.027 4.100 1.00 54.14 H new ATOM 0 HA GLU A 63 8.400 -11.026 1.846 1.00 3.22 H new ATOM 0 HB2 GLU A 63 11.383 -11.249 2.237 1.00 63.31 H new ATOM 0 HB3 GLU A 63 10.452 -11.850 0.879 1.00 63.31 H new ATOM 0 HG2 GLU A 63 9.937 -9.612 0.122 1.00 65.42 H new ATOM 0 HG3 GLU A 63 10.541 -8.898 1.604 1.00 65.42 H new ATOM 1028 N GLY A 64 8.333 -13.338 2.720 1.00 42.14 N ATOM 1029 CA GLY A 64 8.130 -14.714 3.104 1.00 65.52 C ATOM 1030 C GLY A 64 6.736 -14.893 3.677 1.00 73.24 C ATOM 1031 O GLY A 64 6.057 -13.926 4.044 1.00 5.41 O ATOM 0 H GLY A 64 7.715 -13.070 1.954 1.00 42.14 H new ATOM 0 HA2 GLY A 64 8.263 -15.365 2.240 1.00 65.52 H new ATOM 0 HA3 GLY A 64 8.876 -15.008 3.842 1.00 65.52 H new ATOM 1035 N ARG A 65 6.296 -16.147 3.758 1.00 34.34 N ATOM 1036 CA ARG A 65 4.977 -16.437 4.305 1.00 24.51 C ATOM 1037 C ARG A 65 4.935 -16.124 5.804 1.00 43.11 C ATOM 1038 O ARG A 65 5.958 -16.254 6.487 1.00 55.14 O ATOM 1039 CB ARG A 65 4.542 -17.869 3.965 1.00 22.51 C ATOM 1040 CG ARG A 65 5.340 -18.958 4.694 1.00 34.54 C ATOM 1041 CD ARG A 65 4.856 -20.364 4.315 1.00 23.32 C ATOM 1042 NE ARG A 65 5.087 -21.320 5.414 1.00 0.34 N ATOM 1043 CZ ARG A 65 4.717 -22.608 5.430 1.00 1.14 C ATOM 1044 NH1 ARG A 65 4.255 -23.198 4.328 1.00 20.15 N ATOM 1045 NH2 ARG A 65 4.854 -23.313 6.549 1.00 22.34 N ATOM 0 H ARG A 65 6.825 -16.965 3.457 1.00 34.34 H new ATOM 0 HA ARG A 65 4.243 -15.783 3.834 1.00 24.51 H new ATOM 0 HB2 ARG A 65 3.486 -17.984 4.209 1.00 22.51 H new ATOM 0 HB3 ARG A 65 4.639 -18.021 2.890 1.00 22.51 H new ATOM 0 HG2 ARG A 65 6.398 -18.859 4.450 1.00 34.54 H new ATOM 0 HG3 ARG A 65 5.247 -18.819 5.771 1.00 34.54 H new ATOM 0 HD2 ARG A 65 3.794 -20.333 4.073 1.00 23.32 H new ATOM 0 HD3 ARG A 65 5.377 -20.702 3.419 1.00 23.32 H new ATOM 0 HE ARG A 65 5.574 -20.968 6.239 1.00 0.34 H new ATOM 0 HH11 ARG A 65 4.180 -22.669 3.459 1.00 20.15 H new ATOM 0 HH12 ARG A 65 3.977 -24.179 4.353 1.00 20.15 H new ATOM 0 HH21 ARG A 65 5.238 -22.873 7.385 1.00 22.34 H new ATOM 0 HH22 ARG A 65 4.575 -24.294 6.571 1.00 22.34 H new ATOM 1059 N THR A 66 3.773 -15.723 6.312 1.00 1.44 N ATOM 1060 CA THR A 66 3.514 -15.600 7.743 1.00 32.44 C ATOM 1061 C THR A 66 3.110 -16.977 8.305 1.00 43.45 C ATOM 1062 O THR A 66 3.272 -18.005 7.635 1.00 64.50 O ATOM 1063 CB THR A 66 2.488 -14.470 7.992 1.00 41.22 C ATOM 1064 OG1 THR A 66 2.619 -14.053 9.332 1.00 64.52 O ATOM 1065 CG2 THR A 66 1.030 -14.855 7.722 1.00 32.23 C ATOM 0 H THR A 66 2.973 -15.471 5.732 1.00 1.44 H new ATOM 0 HA THR A 66 4.410 -15.304 8.288 1.00 32.44 H new ATOM 0 HB THR A 66 2.714 -13.675 7.281 1.00 41.22 H new ATOM 0 HG1 THR A 66 1.979 -13.334 9.515 1.00 64.52 H new ATOM 0 HG21 THR A 66 0.385 -14.000 7.924 1.00 32.23 H new ATOM 0 HG22 THR A 66 0.920 -15.155 6.680 1.00 32.23 H new ATOM 0 HG23 THR A 66 0.747 -15.684 8.370 1.00 32.23 H new ATOM 1146 N THR A 73 -2.107 -19.065 5.227 1.00 52.32 N ATOM 1147 CA THR A 73 -0.773 -18.765 4.757 1.00 61.14 C ATOM 1148 C THR A 73 -0.836 -17.485 3.927 1.00 64.41 C ATOM 1149 O THR A 73 -1.129 -17.530 2.735 1.00 32.21 O ATOM 1150 CB THR A 73 -0.260 -19.984 3.977 1.00 2.02 C ATOM 1151 OG1 THR A 73 -0.156 -21.082 4.866 1.00 2.34 O ATOM 1152 CG2 THR A 73 1.129 -19.735 3.407 1.00 24.22 C ATOM 0 HA THR A 73 -0.069 -18.583 5.569 1.00 61.14 H new ATOM 0 HB THR A 73 -0.958 -20.179 3.163 1.00 2.02 H new ATOM 0 HG1 THR A 73 -0.952 -21.118 5.436 1.00 2.34 H new ATOM 0 HG21 THR A 73 1.462 -20.618 2.861 1.00 24.22 H new ATOM 0 HG22 THR A 73 1.097 -18.881 2.731 1.00 24.22 H new ATOM 0 HG23 THR A 73 1.824 -19.528 4.220 1.00 24.22 H new ATOM 1160 N TYR A 74 -0.568 -16.344 4.563 1.00 3.33 N ATOM 1161 CA TYR A 74 -0.342 -15.081 3.869 1.00 30.21 C ATOM 1162 C TYR A 74 1.089 -15.096 3.337 1.00 14.44 C ATOM 1163 O TYR A 74 2.003 -15.399 4.108 1.00 74.53 O ATOM 1164 CB TYR A 74 -0.539 -13.902 4.842 1.00 14.44 C ATOM 1165 CG TYR A 74 -1.057 -12.626 4.215 1.00 4.43 C ATOM 1166 CD1 TYR A 74 -2.219 -12.659 3.428 1.00 65.23 C ATOM 1167 CD2 TYR A 74 -0.418 -11.397 4.463 1.00 14.43 C ATOM 1168 CE1 TYR A 74 -2.743 -11.485 2.870 1.00 63.21 C ATOM 1169 CE2 TYR A 74 -0.941 -10.213 3.914 1.00 13.04 C ATOM 1170 CZ TYR A 74 -2.101 -10.255 3.104 1.00 10.12 C ATOM 1171 OH TYR A 74 -2.600 -9.131 2.526 1.00 63.15 O ATOM 0 H TYR A 74 -0.502 -16.272 5.578 1.00 3.33 H new ATOM 0 HA TYR A 74 -1.050 -14.961 3.049 1.00 30.21 H new ATOM 0 HB2 TYR A 74 -1.232 -14.210 5.625 1.00 14.44 H new ATOM 0 HB3 TYR A 74 0.414 -13.689 5.326 1.00 14.44 H new ATOM 0 HD1 TYR A 74 -2.716 -13.601 3.250 1.00 65.23 H new ATOM 0 HD2 TYR A 74 0.472 -11.363 5.074 1.00 14.43 H new ATOM 0 HE1 TYR A 74 -3.636 -11.524 2.263 1.00 63.21 H new ATOM 0 HE2 TYR A 74 -0.456 -9.268 4.111 1.00 13.04 H new ATOM 0 HH TYR A 74 -2.051 -8.360 2.781 1.00 63.15 H new ATOM 1181 N ILE A 75 1.308 -14.793 2.059 1.00 14.02 N ATOM 1182 CA ILE A 75 2.612 -14.656 1.431 1.00 31.44 C ATOM 1183 C ILE A 75 2.823 -13.179 1.109 1.00 62.54 C ATOM 1184 O ILE A 75 2.314 -12.677 0.110 1.00 31.42 O ATOM 1185 CB ILE A 75 2.712 -15.573 0.193 1.00 25.54 C ATOM 1186 CG1 ILE A 75 2.375 -17.033 0.569 1.00 33.50 C ATOM 1187 CG2 ILE A 75 4.131 -15.508 -0.404 1.00 61.52 C ATOM 1188 CD1 ILE A 75 0.992 -17.482 0.100 1.00 44.12 C ATOM 0 H ILE A 75 0.542 -14.629 1.406 1.00 14.02 H new ATOM 0 HA ILE A 75 3.411 -14.978 2.099 1.00 31.44 H new ATOM 0 HB ILE A 75 1.993 -15.225 -0.548 1.00 25.54 H new ATOM 0 HG12 ILE A 75 3.128 -17.693 0.138 1.00 33.50 H new ATOM 0 HG13 ILE A 75 2.436 -17.144 1.652 1.00 33.50 H new ATOM 0 HG21 ILE A 75 4.189 -16.159 -1.276 1.00 61.52 H new ATOM 0 HG22 ILE A 75 4.354 -14.483 -0.700 1.00 61.52 H new ATOM 0 HG23 ILE A 75 4.855 -15.836 0.342 1.00 61.52 H new ATOM 0 HD11 ILE A 75 0.825 -18.517 0.399 1.00 44.12 H new ATOM 0 HD12 ILE A 75 0.231 -16.846 0.551 1.00 44.12 H new ATOM 0 HD13 ILE A 75 0.933 -17.404 -0.986 1.00 44.12 H new ATOM 1200 N SER A 76 3.572 -12.481 1.955 1.00 30.53 N ATOM 1201 CA SER A 76 4.123 -11.161 1.677 1.00 61.54 C ATOM 1202 C SER A 76 5.461 -11.377 0.958 1.00 72.13 C ATOM 1203 O SER A 76 6.181 -12.297 1.348 1.00 74.33 O ATOM 1204 CB SER A 76 4.407 -10.497 3.027 1.00 74.51 C ATOM 1205 OG SER A 76 3.308 -10.583 3.915 1.00 73.51 O ATOM 0 H SER A 76 3.820 -12.829 2.881 1.00 30.53 H new ATOM 0 HA SER A 76 3.448 -10.552 1.077 1.00 61.54 H new ATOM 0 HB2 SER A 76 5.277 -10.968 3.484 1.00 74.51 H new ATOM 0 HB3 SER A 76 4.659 -9.449 2.867 1.00 74.51 H new ATOM 0 HG SER A 76 3.537 -10.147 4.762 1.00 73.51 H new ATOM 1211 N HIS A 77 5.833 -10.575 -0.042 1.00 72.30 N ATOM 1212 CA HIS A 77 7.102 -10.636 -0.787 1.00 71.11 C ATOM 1213 C HIS A 77 7.064 -9.623 -1.923 1.00 65.12 C ATOM 1214 O HIS A 77 6.069 -8.929 -2.116 1.00 23.44 O ATOM 1215 CB HIS A 77 7.417 -12.045 -1.354 1.00 54.40 C ATOM 1216 CG HIS A 77 6.405 -12.636 -2.312 1.00 31.52 C ATOM 1217 ND1 HIS A 77 6.652 -13.689 -3.165 1.00 24.35 N ATOM 1218 CD2 HIS A 77 5.097 -12.265 -2.495 1.00 32.41 C ATOM 1219 CE1 HIS A 77 5.516 -13.951 -3.830 1.00 14.32 C ATOM 1220 NE2 HIS A 77 4.541 -13.113 -3.452 1.00 31.23 N ATOM 0 H HIS A 77 5.228 -9.824 -0.375 1.00 72.30 H new ATOM 0 HA HIS A 77 7.899 -10.401 -0.081 1.00 71.11 H new ATOM 0 HB2 HIS A 77 8.380 -11.999 -1.862 1.00 54.40 H new ATOM 0 HB3 HIS A 77 7.532 -12.731 -0.515 1.00 54.40 H new ATOM 0 HD2 HIS A 77 4.588 -11.459 -1.988 1.00 32.41 H new ATOM 0 HE1 HIS A 77 5.403 -14.731 -4.569 1.00 14.32 H new ATOM 0 HE2 HIS A 77 3.581 -13.098 -3.797 1.00 31.23 H new ATOM 1228 N PHE A 78 8.138 -9.546 -2.709 1.00 12.42 N ATOM 1229 CA PHE A 78 8.102 -8.862 -3.985 1.00 54.23 C ATOM 1230 C PHE A 78 8.255 -9.882 -5.109 1.00 3.41 C ATOM 1231 O PHE A 78 8.853 -10.944 -4.914 1.00 10.25 O ATOM 1232 CB PHE A 78 9.156 -7.757 -3.964 1.00 72.41 C ATOM 1233 CG PHE A 78 10.577 -8.230 -4.123 1.00 22.51 C ATOM 1234 CD1 PHE A 78 11.317 -8.669 -3.011 1.00 24.43 C ATOM 1235 CD2 PHE A 78 11.157 -8.219 -5.402 1.00 32.54 C ATOM 1236 CE1 PHE A 78 12.647 -9.092 -3.193 1.00 5.34 C ATOM 1237 CE2 PHE A 78 12.476 -8.655 -5.578 1.00 25.13 C ATOM 1238 CZ PHE A 78 13.218 -9.111 -4.477 1.00 2.42 C ATOM 0 H PHE A 78 9.044 -9.953 -2.476 1.00 12.42 H new ATOM 0 HA PHE A 78 7.146 -8.373 -4.170 1.00 54.23 H new ATOM 0 HB2 PHE A 78 8.933 -7.048 -4.762 1.00 72.41 H new ATOM 0 HB3 PHE A 78 9.073 -7.214 -3.023 1.00 72.41 H new ATOM 0 HD1 PHE A 78 10.870 -8.681 -2.028 1.00 24.43 H new ATOM 0 HD2 PHE A 78 10.585 -7.874 -6.251 1.00 32.54 H new ATOM 0 HE1 PHE A 78 13.232 -9.404 -2.341 1.00 5.34 H new ATOM 0 HE2 PHE A 78 12.923 -8.640 -6.561 1.00 25.13 H new ATOM 0 HZ PHE A 78 14.225 -9.475 -4.616 1.00 2.42 H new ATOM 1248 N THR A 79 7.702 -9.561 -6.274 1.00 3.03 N ATOM 1249 CA THR A 79 7.514 -10.478 -7.398 1.00 4.15 C ATOM 1250 C THR A 79 8.168 -9.936 -8.674 1.00 51.40 C ATOM 1251 O THR A 79 8.093 -10.556 -9.739 1.00 4.41 O ATOM 1252 CB THR A 79 6.004 -10.738 -7.564 1.00 63.34 C ATOM 1253 OG1 THR A 79 5.304 -9.508 -7.580 1.00 23.33 O ATOM 1254 CG2 THR A 79 5.474 -11.587 -6.402 1.00 72.52 C ATOM 0 H THR A 79 7.359 -8.621 -6.471 1.00 3.03 H new ATOM 0 HA THR A 79 8.011 -11.427 -7.197 1.00 4.15 H new ATOM 0 HB THR A 79 5.851 -11.270 -8.503 1.00 63.34 H new ATOM 0 HG1 THR A 79 4.360 -9.671 -7.788 1.00 23.33 H new ATOM 0 HG21 THR A 79 4.406 -11.761 -6.536 1.00 72.52 H new ATOM 0 HG22 THR A 79 5.997 -12.543 -6.382 1.00 72.52 H new ATOM 0 HG23 THR A 79 5.641 -11.062 -5.462 1.00 72.52 H new ATOM 1262 N VAL A 80 8.856 -8.795 -8.576 1.00 62.12 N ATOM 1263 CA VAL A 80 9.494 -8.132 -9.715 1.00 72.30 C ATOM 1264 C VAL A 80 10.912 -7.764 -9.307 1.00 34.42 C ATOM 1265 O VAL A 80 11.105 -6.934 -8.418 1.00 22.33 O ATOM 1266 CB VAL A 80 8.666 -6.922 -10.199 1.00 31.12 C ATOM 1267 CG1 VAL A 80 9.313 -6.213 -11.401 1.00 25.21 C ATOM 1268 CG2 VAL A 80 7.247 -7.336 -10.607 1.00 22.41 C ATOM 0 H VAL A 80 8.987 -8.301 -7.693 1.00 62.12 H new ATOM 0 HA VAL A 80 9.540 -8.803 -10.573 1.00 72.30 H new ATOM 0 HB VAL A 80 8.630 -6.238 -9.351 1.00 31.12 H new ATOM 0 HG11 VAL A 80 8.692 -5.369 -11.703 1.00 25.21 H new ATOM 0 HG12 VAL A 80 10.303 -5.853 -11.121 1.00 25.21 H new ATOM 0 HG13 VAL A 80 9.403 -6.913 -12.231 1.00 25.21 H new ATOM 0 HG21 VAL A 80 6.694 -6.458 -10.942 1.00 22.41 H new ATOM 0 HG22 VAL A 80 7.299 -8.063 -11.417 1.00 22.41 H new ATOM 0 HG23 VAL A 80 6.738 -7.781 -9.752 1.00 22.41 H new ATOM 1278 N ASN A 81 11.901 -8.381 -9.953 1.00 11.32 N ATOM 1279 CA ASN A 81 13.299 -8.036 -9.811 1.00 53.44 C ATOM 1280 C ASN A 81 13.773 -7.527 -11.154 1.00 31.55 C ATOM 1281 O ASN A 81 14.286 -8.285 -11.974 1.00 64.14 O ATOM 1282 CB ASN A 81 14.153 -9.218 -9.348 1.00 43.33 C ATOM 1283 CG ASN A 81 15.652 -8.930 -9.439 1.00 11.05 C ATOM 1284 OD1 ASN A 81 16.424 -9.863 -9.620 1.00 5.41 O ATOM 1285 ND2 ASN A 81 16.137 -7.701 -9.270 1.00 41.11 N ATOM 0 H ASN A 81 11.740 -9.151 -10.602 1.00 11.32 H new ATOM 0 HA ASN A 81 13.406 -7.274 -9.039 1.00 53.44 H new ATOM 0 HB2 ASN A 81 13.896 -9.466 -8.318 1.00 43.33 H new ATOM 0 HB3 ASN A 81 13.917 -10.092 -9.955 1.00 43.33 H new ATOM 0 HD21 ASN A 81 17.144 -7.543 -9.292 1.00 41.11 H new ATOM 0 HD22 ASN A 81 15.501 -6.918 -9.119 1.00 41.11 H new ATOM 1292 N GLU A 82 13.644 -6.228 -11.326 1.00 52.43 N ATOM 1293 CA GLU A 82 14.568 -5.420 -12.099 1.00 54.21 C ATOM 1294 C GLU A 82 15.302 -4.553 -11.071 1.00 50.14 C ATOM 1295 O GLU A 82 14.944 -4.582 -9.886 1.00 12.22 O ATOM 1296 CB GLU A 82 13.778 -4.665 -13.172 1.00 51.13 C ATOM 1297 CG GLU A 82 13.412 -5.603 -14.326 1.00 1.23 C ATOM 1298 CD GLU A 82 14.574 -5.984 -15.273 1.00 50.40 C ATOM 1299 OE1 GLU A 82 15.330 -6.935 -14.958 1.00 52.30 O ATOM 1300 OE2 GLU A 82 14.718 -5.395 -16.372 1.00 54.12 O ATOM 0 H GLU A 82 12.876 -5.691 -10.923 1.00 52.43 H new ATOM 0 HA GLU A 82 15.318 -5.979 -12.659 1.00 54.21 H new ATOM 0 HB2 GLU A 82 12.872 -4.244 -12.736 1.00 51.13 H new ATOM 0 HB3 GLU A 82 14.369 -3.830 -13.548 1.00 51.13 H new ATOM 0 HG2 GLU A 82 12.993 -6.518 -13.908 1.00 1.23 H new ATOM 0 HG3 GLU A 82 12.625 -5.133 -14.916 1.00 1.23 H new ATOM 1307 N PRO A 83 16.412 -3.906 -11.450 1.00 62.50 N ATOM 1308 CA PRO A 83 17.229 -3.178 -10.497 1.00 43.42 C ATOM 1309 C PRO A 83 16.477 -1.953 -9.987 1.00 24.35 C ATOM 1310 O PRO A 83 16.443 -1.730 -8.783 1.00 33.53 O ATOM 1311 CB PRO A 83 18.529 -2.828 -11.225 1.00 42.14 C ATOM 1312 CG PRO A 83 18.156 -2.907 -12.705 1.00 23.23 C ATOM 1313 CD PRO A 83 16.998 -3.885 -12.776 1.00 23.45 C ATOM 0 HA PRO A 83 17.459 -3.768 -9.610 1.00 43.42 H new ATOM 0 HB2 PRO A 83 18.882 -1.833 -10.955 1.00 42.14 H new ATOM 0 HB3 PRO A 83 19.327 -3.528 -10.976 1.00 42.14 H new ATOM 0 HG2 PRO A 83 17.869 -1.929 -13.091 1.00 23.23 H new ATOM 0 HG3 PRO A 83 18.999 -3.251 -13.305 1.00 23.23 H new ATOM 0 HD2 PRO A 83 16.267 -3.571 -13.521 1.00 23.45 H new ATOM 0 HD3 PRO A 83 17.343 -4.878 -13.066 1.00 23.45 H new ATOM 1321 N ALA A 84 15.832 -1.202 -10.885 1.00 4.31 N ATOM 1322 CA ALA A 84 15.214 0.076 -10.570 1.00 30.34 C ATOM 1323 C ALA A 84 13.682 0.013 -10.545 1.00 42.43 C ATOM 1324 O ALA A 84 13.055 1.036 -10.274 1.00 45.33 O ATOM 1325 CB ALA A 84 15.725 1.109 -11.576 1.00 45.42 C ATOM 0 H ALA A 84 15.727 -1.474 -11.862 1.00 4.31 H new ATOM 0 HA ALA A 84 15.497 0.365 -9.558 1.00 30.34 H new ATOM 0 HB1 ALA A 84 15.276 2.079 -11.362 1.00 45.42 H new ATOM 0 HB2 ALA A 84 16.810 1.186 -11.499 1.00 45.42 H new ATOM 0 HB3 ALA A 84 15.454 0.799 -12.585 1.00 45.42 H new ATOM 1331 N HIS A 85 13.058 -1.142 -10.803 1.00 70.12 N ATOM 1332 CA HIS A 85 11.611 -1.297 -10.763 1.00 3.33 C ATOM 1333 C HIS A 85 11.314 -2.600 -10.030 1.00 1.13 C ATOM 1334 O HIS A 85 11.788 -3.657 -10.451 1.00 62.13 O ATOM 1335 CB HIS A 85 11.090 -1.291 -12.204 1.00 33.24 C ATOM 1336 CG HIS A 85 9.601 -1.457 -12.369 1.00 30.33 C ATOM 1337 ND1 HIS A 85 8.604 -1.160 -11.457 1.00 43.01 N ATOM 1338 CD2 HIS A 85 9.002 -1.899 -13.516 1.00 62.42 C ATOM 1339 CE1 HIS A 85 7.428 -1.443 -12.047 1.00 30.25 C ATOM 1340 NE2 HIS A 85 7.622 -1.859 -13.313 1.00 3.14 N ATOM 0 H HIS A 85 13.554 -1.999 -11.047 1.00 70.12 H new ATOM 0 HA HIS A 85 11.111 -0.486 -10.233 1.00 3.33 H new ATOM 0 HB2 HIS A 85 11.385 -0.352 -12.672 1.00 33.24 H new ATOM 0 HB3 HIS A 85 11.588 -2.091 -12.753 1.00 33.24 H new ATOM 0 HD2 HIS A 85 9.506 -2.221 -14.416 1.00 62.42 H new ATOM 0 HE1 HIS A 85 6.463 -1.349 -11.571 1.00 30.25 H new ATOM 0 HE2 HIS A 85 6.900 -2.099 -13.992 1.00 3.14 H new ATOM 1348 N LYS A 86 10.589 -2.530 -8.909 1.00 12.03 N ATOM 1349 CA LYS A 86 10.238 -3.695 -8.096 1.00 22.15 C ATOM 1350 C LYS A 86 8.798 -3.517 -7.628 1.00 4.05 C ATOM 1351 O LYS A 86 8.352 -2.390 -7.420 1.00 63.34 O ATOM 1352 CB LYS A 86 11.216 -3.856 -6.910 1.00 42.43 C ATOM 1353 CG LYS A 86 12.692 -3.908 -7.352 1.00 11.11 C ATOM 1354 CD LYS A 86 13.662 -4.246 -6.213 1.00 2.43 C ATOM 1355 CE LYS A 86 15.089 -3.790 -6.554 1.00 53.30 C ATOM 1356 NZ LYS A 86 16.109 -4.391 -5.670 1.00 33.21 N ATOM 0 H LYS A 86 10.226 -1.652 -8.538 1.00 12.03 H new ATOM 0 HA LYS A 86 10.319 -4.610 -8.683 1.00 22.15 H new ATOM 0 HB2 LYS A 86 11.079 -3.026 -6.217 1.00 42.43 H new ATOM 0 HB3 LYS A 86 10.972 -4.769 -6.366 1.00 42.43 H new ATOM 0 HG2 LYS A 86 12.800 -4.651 -8.143 1.00 11.11 H new ATOM 0 HG3 LYS A 86 12.969 -2.944 -7.780 1.00 11.11 H new ATOM 0 HD2 LYS A 86 13.332 -3.763 -5.293 1.00 2.43 H new ATOM 0 HD3 LYS A 86 13.653 -5.320 -6.030 1.00 2.43 H new ATOM 0 HE2 LYS A 86 15.312 -4.052 -7.588 1.00 53.30 H new ATOM 0 HE3 LYS A 86 15.146 -2.704 -6.481 1.00 53.30 H new ATOM 0 HZ1 LYS A 86 16.999 -3.860 -5.755 1.00 33.21 H new ATOM 0 HZ2 LYS A 86 15.778 -4.356 -4.685 1.00 33.21 H new ATOM 0 HZ3 LYS A 86 16.269 -5.381 -5.947 1.00 33.21 H new ATOM 1370 N GLU A 87 8.058 -4.604 -7.440 1.00 44.24 N ATOM 1371 CA GLU A 87 6.632 -4.571 -7.128 1.00 33.21 C ATOM 1372 C GLU A 87 6.408 -5.587 -6.016 1.00 12.05 C ATOM 1373 O GLU A 87 6.955 -6.692 -6.068 1.00 22.15 O ATOM 1374 CB GLU A 87 5.763 -4.855 -8.373 1.00 30.55 C ATOM 1375 CG GLU A 87 6.129 -3.943 -9.559 1.00 11.03 C ATOM 1376 CD GLU A 87 5.085 -3.914 -10.684 1.00 64.30 C ATOM 1377 OE1 GLU A 87 3.967 -3.410 -10.466 1.00 1.14 O ATOM 1378 OE2 GLU A 87 5.414 -4.243 -11.849 1.00 11.44 O ATOM 0 H GLU A 87 8.437 -5.549 -7.501 1.00 44.24 H new ATOM 0 HA GLU A 87 6.328 -3.577 -6.799 1.00 33.21 H new ATOM 0 HB2 GLU A 87 5.884 -5.897 -8.668 1.00 30.55 H new ATOM 0 HB3 GLU A 87 4.712 -4.715 -8.120 1.00 30.55 H new ATOM 0 HG2 GLU A 87 6.275 -2.928 -9.189 1.00 11.03 H new ATOM 0 HG3 GLU A 87 7.082 -4.271 -9.973 1.00 11.03 H new ATOM 1385 N PHE A 88 5.697 -5.168 -4.972 1.00 21.11 N ATOM 1386 CA PHE A 88 5.469 -5.897 -3.737 1.00 52.33 C ATOM 1387 C PHE A 88 4.013 -6.345 -3.683 1.00 74.42 C ATOM 1388 O PHE A 88 3.116 -5.597 -4.080 1.00 14.33 O ATOM 1389 CB PHE A 88 5.838 -5.002 -2.551 1.00 74.51 C ATOM 1390 CG PHE A 88 5.760 -5.680 -1.202 1.00 23.55 C ATOM 1391 CD1 PHE A 88 4.525 -5.780 -0.532 1.00 54.43 C ATOM 1392 CD2 PHE A 88 6.920 -6.235 -0.627 1.00 22.21 C ATOM 1393 CE1 PHE A 88 4.440 -6.472 0.685 1.00 45.21 C ATOM 1394 CE2 PHE A 88 6.835 -6.924 0.594 1.00 45.32 C ATOM 1395 CZ PHE A 88 5.593 -7.053 1.235 1.00 52.20 C ATOM 0 H PHE A 88 5.240 -4.256 -4.970 1.00 21.11 H new ATOM 0 HA PHE A 88 6.095 -6.788 -3.692 1.00 52.33 H new ATOM 0 HB2 PHE A 88 6.851 -4.628 -2.697 1.00 74.51 H new ATOM 0 HB3 PHE A 88 5.176 -4.136 -2.546 1.00 74.51 H new ATOM 0 HD1 PHE A 88 3.643 -5.323 -0.956 1.00 54.43 H new ATOM 0 HD2 PHE A 88 7.873 -6.131 -1.124 1.00 22.21 H new ATOM 0 HE1 PHE A 88 3.492 -6.557 1.196 1.00 45.21 H new ATOM 0 HE2 PHE A 88 7.721 -7.353 1.038 1.00 45.32 H new ATOM 0 HZ PHE A 88 5.524 -7.605 2.161 1.00 52.20 H new ATOM 1405 N GLU A 89 3.797 -7.548 -3.158 1.00 32.12 N ATOM 1406 CA GLU A 89 2.526 -8.242 -3.075 1.00 13.44 C ATOM 1407 C GLU A 89 2.368 -8.792 -1.662 1.00 14.34 C ATOM 1408 O GLU A 89 3.333 -9.262 -1.048 1.00 2.21 O ATOM 1409 CB GLU A 89 2.519 -9.421 -4.063 1.00 34.14 C ATOM 1410 CG GLU A 89 2.229 -8.975 -5.497 1.00 2.41 C ATOM 1411 CD GLU A 89 2.229 -10.142 -6.492 1.00 11.32 C ATOM 1412 OE1 GLU A 89 1.687 -11.237 -6.210 1.00 13.04 O ATOM 1413 OE2 GLU A 89 2.747 -9.955 -7.619 1.00 14.41 O ATOM 0 H GLU A 89 4.558 -8.095 -2.755 1.00 32.12 H new ATOM 0 HA GLU A 89 1.714 -7.556 -3.315 1.00 13.44 H new ATOM 0 HB2 GLU A 89 3.485 -9.925 -4.030 1.00 34.14 H new ATOM 0 HB3 GLU A 89 1.769 -10.148 -3.752 1.00 34.14 H new ATOM 0 HG2 GLU A 89 1.261 -8.476 -5.529 1.00 2.41 H new ATOM 0 HG3 GLU A 89 2.976 -8.242 -5.803 1.00 2.41 H new ATOM 1420 N ALA A 90 1.132 -8.805 -1.168 1.00 70.32 N ATOM 1421 CA ALA A 90 0.727 -9.655 -0.070 1.00 22.11 C ATOM 1422 C ALA A 90 -0.664 -10.210 -0.360 1.00 65.43 C ATOM 1423 O ALA A 90 -1.553 -9.464 -0.777 1.00 52.05 O ATOM 1424 CB ALA A 90 0.761 -8.869 1.236 1.00 65.21 C ATOM 0 H ALA A 90 0.381 -8.216 -1.528 1.00 70.32 H new ATOM 0 HA ALA A 90 1.417 -10.492 0.035 1.00 22.11 H new ATOM 0 HB1 ALA A 90 0.455 -9.516 2.058 1.00 65.21 H new ATOM 0 HB2 ALA A 90 1.773 -8.507 1.417 1.00 65.21 H new ATOM 0 HB3 ALA A 90 0.079 -8.021 1.168 1.00 65.21 H new ATOM 1430 N GLY A 91 -0.863 -11.506 -0.127 1.00 23.34 N ATOM 1431 CA GLY A 91 -2.147 -12.181 -0.242 1.00 34.12 C ATOM 1432 C GLY A 91 -2.050 -13.608 0.284 1.00 50.22 C ATOM 1433 O GLY A 91 -0.949 -14.088 0.563 1.00 21.52 O ATOM 0 H GLY A 91 -0.109 -12.132 0.156 1.00 23.34 H new ATOM 0 HA2 GLY A 91 -2.904 -11.632 0.317 1.00 34.12 H new ATOM 0 HA3 GLY A 91 -2.466 -12.192 -1.284 1.00 34.12 H new ATOM 1437 N TYR A 92 -3.190 -14.283 0.446 1.00 50.45 N ATOM 1438 CA TYR A 92 -3.223 -15.681 0.856 1.00 73.41 C ATOM 1439 C TYR A 92 -2.953 -16.601 -0.333 1.00 42.02 C ATOM 1440 O TYR A 92 -3.125 -16.222 -1.497 1.00 31.24 O ATOM 1441 CB TYR A 92 -4.565 -16.005 1.531 1.00 22.10 C ATOM 1442 CG TYR A 92 -4.688 -15.367 2.902 1.00 13.20 C ATOM 1443 CD1 TYR A 92 -4.118 -15.998 4.024 1.00 54.11 C ATOM 1444 CD2 TYR A 92 -5.296 -14.107 3.053 1.00 14.22 C ATOM 1445 CE1 TYR A 92 -4.162 -15.386 5.285 1.00 34.44 C ATOM 1446 CE2 TYR A 92 -5.329 -13.484 4.314 1.00 30.32 C ATOM 1447 CZ TYR A 92 -4.785 -14.129 5.448 1.00 64.24 C ATOM 1448 OH TYR A 92 -4.828 -13.526 6.671 1.00 4.01 O ATOM 0 H TYR A 92 -4.112 -13.874 0.296 1.00 50.45 H new ATOM 0 HA TYR A 92 -2.431 -15.853 1.585 1.00 73.41 H new ATOM 0 HB2 TYR A 92 -5.381 -15.659 0.897 1.00 22.10 H new ATOM 0 HB3 TYR A 92 -4.671 -17.086 1.625 1.00 22.10 H new ATOM 0 HD1 TYR A 92 -3.643 -16.961 3.913 1.00 54.11 H new ATOM 0 HD2 TYR A 92 -5.739 -13.617 2.198 1.00 14.22 H new ATOM 0 HE1 TYR A 92 -3.717 -15.879 6.137 1.00 34.44 H new ATOM 0 HE2 TYR A 92 -5.774 -12.505 4.416 1.00 30.32 H new ATOM 0 HH TYR A 92 -5.294 -12.667 6.596 1.00 4.01 H new ATOM 1458 N ASP A 93 -2.540 -17.831 -0.027 1.00 43.45 N ATOM 1459 CA ASP A 93 -2.353 -18.867 -1.035 1.00 2.32 C ATOM 1460 C ASP A 93 -3.716 -19.229 -1.637 1.00 31.12 C ATOM 1461 O ASP A 93 -4.742 -19.148 -0.951 1.00 24.44 O ATOM 1462 CB ASP A 93 -1.646 -20.091 -0.427 1.00 13.01 C ATOM 1463 CG ASP A 93 -0.694 -20.770 -1.416 1.00 42.43 C ATOM 1464 OD1 ASP A 93 -0.968 -20.729 -2.637 1.00 14.41 O ATOM 1465 OD2 ASP A 93 0.323 -21.344 -0.949 1.00 41.15 O ATOM 0 H ASP A 93 -2.327 -18.134 0.924 1.00 43.45 H new ATOM 0 HA ASP A 93 -1.711 -18.498 -1.834 1.00 2.32 H new ATOM 0 HB2 ASP A 93 -1.087 -19.782 0.456 1.00 13.01 H new ATOM 0 HB3 ASP A 93 -2.394 -20.811 -0.095 1.00 13.01 H new ATOM 1470 N GLU A 94 -3.736 -19.640 -2.908 1.00 13.24 N ATOM 1471 CA GLU A 94 -4.941 -19.894 -3.708 1.00 43.13 C ATOM 1472 C GLU A 94 -5.982 -18.761 -3.617 1.00 4.32 C ATOM 1473 O GLU A 94 -7.192 -18.981 -3.641 1.00 21.14 O ATOM 1474 CB GLU A 94 -5.521 -21.261 -3.356 1.00 71.11 C ATOM 1475 CG GLU A 94 -4.623 -22.441 -3.750 1.00 63.42 C ATOM 1476 CD GLU A 94 -5.366 -23.773 -3.607 1.00 51.45 C ATOM 1477 OE1 GLU A 94 -5.833 -24.098 -2.497 1.00 53.22 O ATOM 1478 OE2 GLU A 94 -5.501 -24.502 -4.623 1.00 1.40 O ATOM 0 H GLU A 94 -2.878 -19.813 -3.431 1.00 13.24 H new ATOM 0 HA GLU A 94 -4.646 -19.909 -4.757 1.00 43.13 H new ATOM 0 HB2 GLU A 94 -5.705 -21.301 -2.282 1.00 71.11 H new ATOM 0 HB3 GLU A 94 -6.487 -21.372 -3.849 1.00 71.11 H new ATOM 0 HG2 GLU A 94 -4.287 -22.318 -4.779 1.00 63.42 H new ATOM 0 HG3 GLU A 94 -3.732 -22.449 -3.122 1.00 63.42 H new ATOM 1485 N SER A 95 -5.527 -17.521 -3.470 1.00 3.40 N ATOM 1486 CA SER A 95 -6.324 -16.315 -3.497 1.00 25.42 C ATOM 1487 C SER A 95 -5.630 -15.236 -4.332 1.00 51.42 C ATOM 1488 O SER A 95 -4.611 -15.497 -4.982 1.00 31.22 O ATOM 1489 CB SER A 95 -6.584 -15.972 -2.037 1.00 41.21 C ATOM 1490 OG SER A 95 -7.492 -16.943 -1.541 1.00 73.34 O ATOM 0 H SER A 95 -4.537 -17.328 -3.321 1.00 3.40 H new ATOM 0 HA SER A 95 -7.287 -16.426 -3.996 1.00 25.42 H new ATOM 0 HB2 SER A 95 -5.656 -15.984 -1.466 1.00 41.21 H new ATOM 0 HB3 SER A 95 -7.002 -14.970 -1.944 1.00 41.21 H new ATOM 0 HG SER A 95 -7.685 -16.758 -0.598 1.00 73.34 H new ATOM 1496 N GLU A 96 -6.264 -14.070 -4.437 1.00 13.33 N ATOM 1497 CA GLU A 96 -5.705 -12.892 -5.088 1.00 64.31 C ATOM 1498 C GLU A 96 -5.031 -12.023 -4.014 1.00 34.10 C ATOM 1499 O GLU A 96 -5.486 -12.038 -2.860 1.00 63.32 O ATOM 1500 CB GLU A 96 -6.833 -12.098 -5.770 1.00 12.14 C ATOM 1501 CG GLU A 96 -7.323 -12.734 -7.081 1.00 52.35 C ATOM 1502 CD GLU A 96 -8.355 -11.861 -7.813 1.00 33.22 C ATOM 1503 OE1 GLU A 96 -8.015 -10.735 -8.234 1.00 3.01 O ATOM 1504 OE2 GLU A 96 -9.512 -12.313 -8.006 1.00 14.12 O ATOM 0 H GLU A 96 -7.201 -13.917 -4.063 1.00 13.33 H new ATOM 0 HA GLU A 96 -4.976 -13.186 -5.843 1.00 64.31 H new ATOM 0 HB2 GLU A 96 -7.673 -12.011 -5.081 1.00 12.14 H new ATOM 0 HB3 GLU A 96 -6.482 -11.086 -5.975 1.00 12.14 H new ATOM 0 HG2 GLU A 96 -6.470 -12.908 -7.737 1.00 52.35 H new ATOM 0 HG3 GLU A 96 -7.764 -13.707 -6.866 1.00 52.35 H new ATOM 1511 N PRO A 97 -4.023 -11.212 -4.378 1.00 62.51 N ATOM 1512 CA PRO A 97 -3.356 -10.298 -3.459 1.00 45.14 C ATOM 1513 C PRO A 97 -4.321 -9.231 -2.945 1.00 74.42 C ATOM 1514 O PRO A 97 -5.214 -8.788 -3.669 1.00 54.22 O ATOM 1515 CB PRO A 97 -2.170 -9.705 -4.226 1.00 44.34 C ATOM 1516 CG PRO A 97 -2.531 -9.924 -5.694 1.00 34.41 C ATOM 1517 CD PRO A 97 -3.387 -11.180 -5.684 1.00 22.30 C ATOM 0 HA PRO A 97 -3.002 -10.813 -2.566 1.00 45.14 H new ATOM 0 HB2 PRO A 97 -2.039 -8.647 -4.001 1.00 44.34 H new ATOM 0 HB3 PRO A 97 -1.237 -10.204 -3.966 1.00 44.34 H new ATOM 0 HG2 PRO A 97 -3.077 -9.073 -6.101 1.00 34.41 H new ATOM 0 HG3 PRO A 97 -1.640 -10.054 -6.308 1.00 34.41 H new ATOM 0 HD2 PRO A 97 -4.130 -11.154 -6.481 1.00 22.30 H new ATOM 0 HD3 PRO A 97 -2.778 -12.070 -5.845 1.00 22.30 H new ATOM 1525 N SER A 98 -4.149 -8.831 -1.686 1.00 50.45 N ATOM 1526 CA SER A 98 -4.920 -7.790 -1.013 1.00 71.54 C ATOM 1527 C SER A 98 -4.131 -6.483 -0.899 1.00 11.33 C ATOM 1528 O SER A 98 -4.748 -5.419 -0.822 1.00 11.24 O ATOM 1529 CB SER A 98 -5.325 -8.293 0.376 1.00 70.21 C ATOM 1530 OG SER A 98 -6.502 -9.085 0.310 1.00 5.20 O ATOM 0 H SER A 98 -3.437 -9.242 -1.082 1.00 50.45 H new ATOM 0 HA SER A 98 -5.809 -7.576 -1.606 1.00 71.54 H new ATOM 0 HB2 SER A 98 -4.512 -8.879 0.805 1.00 70.21 H new ATOM 0 HB3 SER A 98 -5.491 -7.444 1.039 1.00 70.21 H new ATOM 0 HG SER A 98 -6.738 -9.395 1.209 1.00 5.20 H new ATOM 1536 N LEU A 99 -2.791 -6.526 -0.942 1.00 12.30 N ATOM 1537 CA LEU A 99 -1.960 -5.325 -0.914 1.00 72.33 C ATOM 1538 C LEU A 99 -1.016 -5.332 -2.105 1.00 45.32 C ATOM 1539 O LEU A 99 -0.427 -6.373 -2.408 1.00 73.12 O ATOM 1540 CB LEU A 99 -1.155 -5.228 0.396 1.00 1.22 C ATOM 1541 CG LEU A 99 -0.735 -3.763 0.628 1.00 25.10 C ATOM 1542 CD1 LEU A 99 -1.885 -3.004 1.294 1.00 13.22 C ATOM 1543 CD2 LEU A 99 0.525 -3.612 1.477 1.00 42.35 C ATOM 0 H LEU A 99 -2.259 -7.395 -0.997 1.00 12.30 H new ATOM 0 HA LEU A 99 -2.615 -4.455 -0.968 1.00 72.33 H new ATOM 0 HB2 LEU A 99 -1.756 -5.583 1.233 1.00 1.22 H new ATOM 0 HB3 LEU A 99 -0.274 -5.867 0.343 1.00 1.22 H new ATOM 0 HG LEU A 99 -0.503 -3.348 -0.353 1.00 25.10 H new ATOM 0 HD11 LEU A 99 -1.590 -1.968 1.459 1.00 13.22 H new ATOM 0 HD12 LEU A 99 -2.762 -3.033 0.648 1.00 13.22 H new ATOM 0 HD13 LEU A 99 -2.123 -3.470 2.250 1.00 13.22 H new ATOM 0 HD21 LEU A 99 0.758 -2.554 1.597 1.00 42.35 H new ATOM 0 HD22 LEU A 99 0.360 -4.061 2.457 1.00 42.35 H new ATOM 0 HD23 LEU A 99 1.358 -4.114 0.984 1.00 42.35 H new ATOM 1555 N ARG A 100 -0.844 -4.167 -2.740 1.00 3.03 N ATOM 1556 CA ARG A 100 0.047 -3.974 -3.878 1.00 11.13 C ATOM 1557 C ARG A 100 0.814 -2.665 -3.690 1.00 73.45 C ATOM 1558 O ARG A 100 0.220 -1.628 -3.365 1.00 30.32 O ATOM 1559 CB ARG A 100 -0.787 -4.017 -5.169 1.00 41.25 C ATOM 1560 CG ARG A 100 0.047 -4.397 -6.402 1.00 25.43 C ATOM 1561 CD ARG A 100 -0.849 -4.673 -7.619 1.00 50.13 C ATOM 1562 NE ARG A 100 -1.279 -3.450 -8.308 1.00 22.23 N ATOM 1563 CZ ARG A 100 -2.193 -3.376 -9.279 1.00 74.32 C ATOM 1564 NH1 ARG A 100 -2.983 -4.412 -9.556 1.00 64.45 N ATOM 1565 NH2 ARG A 100 -2.328 -2.249 -9.966 1.00 52.22 N ATOM 0 H ARG A 100 -1.334 -3.315 -2.466 1.00 3.03 H new ATOM 0 HA ARG A 100 0.790 -4.768 -3.951 1.00 11.13 H new ATOM 0 HB2 ARG A 100 -1.598 -4.735 -5.049 1.00 41.25 H new ATOM 0 HB3 ARG A 100 -1.246 -3.042 -5.333 1.00 41.25 H new ATOM 0 HG2 ARG A 100 0.743 -3.591 -6.635 1.00 25.43 H new ATOM 0 HG3 ARG A 100 0.645 -5.281 -6.181 1.00 25.43 H new ATOM 0 HD2 ARG A 100 -0.311 -5.309 -8.322 1.00 50.13 H new ATOM 0 HD3 ARG A 100 -1.729 -5.229 -7.296 1.00 50.13 H new ATOM 0 HE ARG A 100 -0.839 -2.576 -8.018 1.00 22.23 H new ATOM 0 HH11 ARG A 100 -2.895 -5.277 -9.023 1.00 64.45 H new ATOM 0 HH12 ARG A 100 -3.676 -4.340 -10.301 1.00 64.45 H new ATOM 0 HH21 ARG A 100 -1.736 -1.447 -9.751 1.00 52.22 H new ATOM 0 HH22 ARG A 100 -3.024 -2.185 -10.709 1.00 52.22 H new ATOM 1579 N VAL A 101 2.143 -2.713 -3.813 1.00 14.14 N ATOM 1580 CA VAL A 101 3.024 -1.566 -3.594 1.00 2.33 C ATOM 1581 C VAL A 101 4.108 -1.583 -4.667 1.00 1.34 C ATOM 1582 O VAL A 101 4.965 -2.465 -4.692 1.00 51.44 O ATOM 1583 CB VAL A 101 3.603 -1.541 -2.155 1.00 71.41 C ATOM 1584 CG1 VAL A 101 4.398 -0.252 -1.882 1.00 10.12 C ATOM 1585 CG2 VAL A 101 2.537 -1.707 -1.062 1.00 71.34 C ATOM 0 H VAL A 101 2.643 -3.563 -4.072 1.00 14.14 H new ATOM 0 HA VAL A 101 2.453 -0.642 -3.682 1.00 2.33 H new ATOM 0 HB VAL A 101 4.268 -2.403 -2.108 1.00 71.41 H new ATOM 0 HG11 VAL A 101 4.787 -0.273 -0.864 1.00 10.12 H new ATOM 0 HG12 VAL A 101 5.227 -0.180 -2.586 1.00 10.12 H new ATOM 0 HG13 VAL A 101 3.744 0.611 -2.003 1.00 10.12 H new ATOM 0 HG21 VAL A 101 3.013 -1.680 -0.082 1.00 71.34 H new ATOM 0 HG22 VAL A 101 1.811 -0.897 -1.135 1.00 71.34 H new ATOM 0 HG23 VAL A 101 2.028 -2.662 -1.192 1.00 71.34 H new ATOM 1595 N VAL A 102 4.058 -0.625 -5.588 1.00 73.51 N ATOM 1596 CA VAL A 102 5.042 -0.519 -6.662 1.00 41.34 C ATOM 1597 C VAL A 102 6.116 0.457 -6.226 1.00 45.40 C ATOM 1598 O VAL A 102 5.798 1.549 -5.755 1.00 21.23 O ATOM 1599 CB VAL A 102 4.366 -0.075 -7.967 1.00 54.42 C ATOM 1600 CG1 VAL A 102 5.367 0.111 -9.117 1.00 43.12 C ATOM 1601 CG2 VAL A 102 3.337 -1.142 -8.347 1.00 65.40 C ATOM 0 H VAL A 102 3.338 0.097 -5.612 1.00 73.51 H new ATOM 0 HA VAL A 102 5.499 -1.489 -6.857 1.00 41.34 H new ATOM 0 HB VAL A 102 3.896 0.895 -7.802 1.00 54.42 H new ATOM 0 HG11 VAL A 102 4.835 0.425 -10.015 1.00 43.12 H new ATOM 0 HG12 VAL A 102 6.098 0.872 -8.843 1.00 43.12 H new ATOM 0 HG13 VAL A 102 5.879 -0.832 -9.310 1.00 43.12 H new ATOM 0 HG21 VAL A 102 2.839 -0.854 -9.273 1.00 65.40 H new ATOM 0 HG22 VAL A 102 3.840 -2.099 -8.488 1.00 65.40 H new ATOM 0 HG23 VAL A 102 2.598 -1.235 -7.551 1.00 65.40 H new ATOM 1611 N PHE A 103 7.379 0.088 -6.425 1.00 73.33 N ATOM 1612 CA PHE A 103 8.535 0.930 -6.181 1.00 33.51 C ATOM 1613 C PHE A 103 9.262 1.151 -7.508 1.00 61.10 C ATOM 1614 O PHE A 103 9.483 0.212 -8.281 1.00 32.15 O ATOM 1615 CB PHE A 103 9.468 0.279 -5.149 1.00 1.22 C ATOM 1616 CG PHE A 103 8.844 -0.124 -3.823 1.00 42.03 C ATOM 1617 CD1 PHE A 103 8.418 0.852 -2.902 1.00 64.10 C ATOM 1618 CD2 PHE A 103 8.757 -1.484 -3.476 1.00 50.11 C ATOM 1619 CE1 PHE A 103 7.909 0.465 -1.647 1.00 31.14 C ATOM 1620 CE2 PHE A 103 8.256 -1.868 -2.219 1.00 41.01 C ATOM 1621 CZ PHE A 103 7.829 -0.894 -1.303 1.00 25.42 C ATOM 0 H PHE A 103 7.628 -0.838 -6.772 1.00 73.33 H new ATOM 0 HA PHE A 103 8.216 1.890 -5.775 1.00 33.51 H new ATOM 0 HB2 PHE A 103 9.909 -0.609 -5.601 1.00 1.22 H new ATOM 0 HB3 PHE A 103 10.285 0.971 -4.944 1.00 1.22 H new ATOM 0 HD1 PHE A 103 8.482 1.899 -3.158 1.00 64.10 H new ATOM 0 HD2 PHE A 103 9.077 -2.239 -4.179 1.00 50.11 H new ATOM 0 HE1 PHE A 103 7.579 1.217 -0.946 1.00 31.14 H new ATOM 0 HE2 PHE A 103 8.200 -2.915 -1.958 1.00 41.01 H new ATOM 0 HZ PHE A 103 7.441 -1.188 -0.339 1.00 25.42 H new ATOM 1631 N GLU A 104 9.684 2.389 -7.757 1.00 64.34 N ATOM 1632 CA GLU A 104 10.542 2.749 -8.884 1.00 32.35 C ATOM 1633 C GLU A 104 11.645 3.671 -8.370 1.00 52.33 C ATOM 1634 O GLU A 104 11.401 4.493 -7.478 1.00 42.31 O ATOM 1635 CB GLU A 104 9.731 3.452 -9.980 1.00 25.15 C ATOM 1636 CG GLU A 104 8.855 2.493 -10.796 1.00 41.14 C ATOM 1637 CD GLU A 104 7.911 3.267 -11.713 1.00 73.10 C ATOM 1638 OE1 GLU A 104 8.352 4.099 -12.536 1.00 32.24 O ATOM 1639 OE2 GLU A 104 6.671 3.096 -11.560 1.00 11.44 O ATOM 0 H GLU A 104 9.434 3.185 -7.170 1.00 64.34 H new ATOM 0 HA GLU A 104 10.976 1.848 -9.318 1.00 32.35 H new ATOM 0 HB2 GLU A 104 9.097 4.212 -9.523 1.00 25.15 H new ATOM 0 HB3 GLU A 104 10.415 3.970 -10.653 1.00 25.15 H new ATOM 0 HG2 GLU A 104 9.487 1.833 -11.391 1.00 41.14 H new ATOM 0 HG3 GLU A 104 8.277 1.860 -10.123 1.00 41.14 H new ATOM 1646 N LEU A 105 12.841 3.544 -8.939 1.00 24.55 N ATOM 1647 CA LEU A 105 14.065 4.227 -8.550 1.00 5.23 C ATOM 1648 C LEU A 105 14.397 5.296 -9.581 1.00 45.31 C ATOM 1649 O LEU A 105 14.784 4.982 -10.710 1.00 32.25 O ATOM 1650 CB LEU A 105 15.205 3.204 -8.464 1.00 51.30 C ATOM 1651 CG LEU A 105 16.596 3.822 -8.265 1.00 3.31 C ATOM 1652 CD1 LEU A 105 16.805 4.390 -6.869 1.00 42.12 C ATOM 1653 CD2 LEU A 105 17.671 2.782 -8.524 1.00 2.33 C ATOM 0 H LEU A 105 12.987 2.921 -9.734 1.00 24.55 H new ATOM 0 HA LEU A 105 13.934 4.702 -7.578 1.00 5.23 H new ATOM 0 HB2 LEU A 105 15.003 2.521 -7.639 1.00 51.30 H new ATOM 0 HB3 LEU A 105 15.212 2.608 -9.377 1.00 51.30 H new ATOM 0 HG LEU A 105 16.666 4.645 -8.976 1.00 3.31 H new ATOM 0 HD11 LEU A 105 17.807 4.812 -6.794 1.00 42.12 H new ATOM 0 HD12 LEU A 105 16.068 5.170 -6.680 1.00 42.12 H new ATOM 0 HD13 LEU A 105 16.689 3.595 -6.132 1.00 42.12 H new ATOM 0 HD21 LEU A 105 18.654 3.231 -8.380 1.00 2.33 H new ATOM 0 HD22 LEU A 105 17.547 1.950 -7.831 1.00 2.33 H new ATOM 0 HD23 LEU A 105 17.585 2.417 -9.548 1.00 2.33 H new ATOM 1665 N THR A 106 14.359 6.556 -9.165 1.00 31.22 N ATOM 1666 CA THR A 106 14.585 7.702 -10.024 1.00 4.04 C ATOM 1667 C THR A 106 15.518 8.671 -9.293 1.00 4.02 C ATOM 1668 O THR A 106 15.231 9.040 -8.154 1.00 43.32 O ATOM 1669 CB THR A 106 13.215 8.335 -10.329 1.00 11.42 C ATOM 1670 OG1 THR A 106 12.292 7.362 -10.798 1.00 32.51 O ATOM 1671 CG2 THR A 106 13.355 9.435 -11.373 1.00 53.14 C ATOM 0 H THR A 106 14.165 6.811 -8.197 1.00 31.22 H new ATOM 0 HA THR A 106 15.057 7.428 -10.967 1.00 4.04 H new ATOM 0 HB THR A 106 12.837 8.760 -9.399 1.00 11.42 H new ATOM 0 HG1 THR A 106 11.430 7.791 -10.982 1.00 32.51 H new ATOM 0 HG21 THR A 106 12.377 9.871 -11.576 1.00 53.14 H new ATOM 0 HG22 THR A 106 14.026 10.208 -10.999 1.00 53.14 H new ATOM 0 HG23 THR A 106 13.762 9.014 -12.292 1.00 53.14 H new ATOM 1679 N ASP A 107 16.606 9.118 -9.932 1.00 42.42 N ATOM 1680 CA ASP A 107 17.548 10.100 -9.358 1.00 41.32 C ATOM 1681 C ASP A 107 18.282 9.489 -8.143 1.00 4.12 C ATOM 1682 O ASP A 107 18.663 10.188 -7.197 1.00 44.20 O ATOM 1683 CB ASP A 107 16.786 11.419 -9.069 1.00 64.20 C ATOM 1684 CG ASP A 107 17.592 12.720 -9.175 1.00 62.31 C ATOM 1685 OD1 ASP A 107 17.798 13.208 -10.314 1.00 13.15 O ATOM 1686 OD2 ASP A 107 17.866 13.317 -8.111 1.00 31.53 O ATOM 0 H ASP A 107 16.864 8.809 -10.869 1.00 42.42 H new ATOM 0 HA ASP A 107 18.339 10.353 -10.064 1.00 41.32 H new ATOM 0 HB2 ASP A 107 15.944 11.483 -9.759 1.00 64.20 H new ATOM 0 HB3 ASP A 107 16.370 11.358 -8.063 1.00 64.20 H new ATOM 1691 N GLY A 108 18.425 8.150 -8.125 1.00 12.45 N ATOM 1692 CA GLY A 108 19.003 7.410 -7.010 1.00 25.55 C ATOM 1693 C GLY A 108 18.097 7.377 -5.773 1.00 42.02 C ATOM 1694 O GLY A 108 18.585 7.087 -4.682 1.00 70.31 O ATOM 0 H GLY A 108 18.135 7.553 -8.900 1.00 12.45 H new ATOM 0 HA2 GLY A 108 19.210 6.388 -7.329 1.00 25.55 H new ATOM 0 HA3 GLY A 108 19.959 7.859 -6.741 1.00 25.55 H new ATOM 1698 N LYS A 109 16.801 7.691 -5.910 1.00 25.35 N ATOM 1699 CA LYS A 109 15.814 7.711 -4.833 1.00 52.24 C ATOM 1700 C LYS A 109 14.636 6.841 -5.246 1.00 22.31 C ATOM 1701 O LYS A 109 14.102 6.996 -6.343 1.00 24.41 O ATOM 1702 CB LYS A 109 15.333 9.149 -4.611 1.00 64.21 C ATOM 1703 CG LYS A 109 16.460 10.080 -4.162 1.00 62.43 C ATOM 1704 CD LYS A 109 16.085 11.540 -4.402 1.00 3.43 C ATOM 1705 CE LYS A 109 17.343 12.360 -4.151 1.00 2.02 C ATOM 1706 NZ LYS A 109 17.207 13.762 -4.580 1.00 53.13 N ATOM 0 H LYS A 109 16.401 7.948 -6.812 1.00 25.35 H new ATOM 0 HA LYS A 109 16.255 7.334 -3.910 1.00 52.24 H new ATOM 0 HB2 LYS A 109 14.898 9.530 -5.535 1.00 64.21 H new ATOM 0 HB3 LYS A 109 14.542 9.153 -3.861 1.00 64.21 H new ATOM 0 HG2 LYS A 109 16.668 9.923 -3.104 1.00 62.43 H new ATOM 0 HG3 LYS A 109 17.374 9.840 -4.706 1.00 62.43 H new ATOM 0 HD2 LYS A 109 15.725 11.685 -5.421 1.00 3.43 H new ATOM 0 HD3 LYS A 109 15.282 11.849 -3.733 1.00 3.43 H new ATOM 0 HE2 LYS A 109 17.583 12.332 -3.088 1.00 2.02 H new ATOM 0 HE3 LYS A 109 18.180 11.903 -4.679 1.00 2.02 H new ATOM 0 HZ1 LYS A 109 18.092 14.272 -4.385 1.00 53.13 H new ATOM 0 HZ2 LYS A 109 17.005 13.795 -5.600 1.00 53.13 H new ATOM 0 HZ3 LYS A 109 16.427 14.211 -4.058 1.00 53.13 H new ATOM 1720 N TRP A 110 14.255 5.889 -4.402 1.00 12.22 N ATOM 1721 CA TRP A 110 13.045 5.110 -4.627 1.00 1.22 C ATOM 1722 C TRP A 110 11.821 5.951 -4.270 1.00 64.50 C ATOM 1723 O TRP A 110 11.909 6.793 -3.371 1.00 64.11 O ATOM 1724 CB TRP A 110 13.114 3.832 -3.795 1.00 43.13 C ATOM 1725 CG TRP A 110 14.137 2.859 -4.284 1.00 34.55 C ATOM 1726 CD1 TRP A 110 15.434 2.802 -3.911 1.00 32.51 C ATOM 1727 CD2 TRP A 110 13.955 1.793 -5.259 1.00 24.11 C ATOM 1728 NE1 TRP A 110 16.052 1.747 -4.556 1.00 30.35 N ATOM 1729 CE2 TRP A 110 15.185 1.084 -5.395 1.00 23.41 C ATOM 1730 CE3 TRP A 110 12.872 1.371 -6.054 1.00 3.01 C ATOM 1731 CZ2 TRP A 110 15.324 -0.014 -6.253 1.00 51.13 C ATOM 1732 CZ3 TRP A 110 12.998 0.278 -6.927 1.00 42.40 C ATOM 1733 CH2 TRP A 110 14.216 -0.412 -7.018 1.00 65.21 C ATOM 0 H TRP A 110 14.767 5.639 -3.556 1.00 12.22 H new ATOM 0 HA TRP A 110 12.961 4.831 -5.677 1.00 1.22 H new ATOM 0 HB2 TRP A 110 13.337 4.093 -2.760 1.00 43.13 H new ATOM 0 HB3 TRP A 110 12.136 3.352 -3.799 1.00 43.13 H new ATOM 0 HD1 TRP A 110 15.914 3.476 -3.217 1.00 32.51 H new ATOM 0 HE1 TRP A 110 17.031 1.491 -4.426 1.00 30.35 H new ATOM 0 HE3 TRP A 110 11.930 1.896 -5.991 1.00 3.01 H new ATOM 0 HZ2 TRP A 110 16.263 -0.543 -6.325 1.00 51.13 H new ATOM 0 HZ3 TRP A 110 12.156 -0.032 -7.529 1.00 42.40 H new ATOM 0 HH2 TRP A 110 14.302 -1.258 -7.683 1.00 65.21 H new ATOM 1744 N TYR A 111 10.684 5.696 -4.911 1.00 64.31 N ATOM 1745 CA TYR A 111 9.397 6.267 -4.537 1.00 71.31 C ATOM 1746 C TYR A 111 8.310 5.210 -4.792 1.00 5.42 C ATOM 1747 O TYR A 111 8.493 4.352 -5.662 1.00 5.31 O ATOM 1748 CB TYR A 111 9.132 7.550 -5.341 1.00 51.22 C ATOM 1749 CG TYR A 111 10.090 8.702 -5.148 1.00 12.42 C ATOM 1750 CD1 TYR A 111 11.234 8.835 -5.956 1.00 61.21 C ATOM 1751 CD2 TYR A 111 9.793 9.682 -4.187 1.00 70.41 C ATOM 1752 CE1 TYR A 111 12.115 9.910 -5.759 1.00 12.42 C ATOM 1753 CE2 TYR A 111 10.693 10.728 -3.947 1.00 21.55 C ATOM 1754 CZ TYR A 111 11.863 10.846 -4.730 1.00 21.13 C ATOM 1755 OH TYR A 111 12.736 11.860 -4.483 1.00 13.03 O ATOM 0 H TYR A 111 10.632 5.076 -5.719 1.00 64.31 H new ATOM 0 HA TYR A 111 9.392 6.540 -3.482 1.00 71.31 H new ATOM 0 HB2 TYR A 111 9.128 7.289 -6.399 1.00 51.22 H new ATOM 0 HB3 TYR A 111 8.130 7.901 -5.095 1.00 51.22 H new ATOM 0 HD1 TYR A 111 11.435 8.109 -6.729 1.00 61.21 H new ATOM 0 HD2 TYR A 111 8.868 9.629 -3.632 1.00 70.41 H new ATOM 0 HE1 TYR A 111 12.983 10.022 -6.392 1.00 12.42 H new ATOM 0 HE2 TYR A 111 10.493 11.444 -3.164 1.00 21.55 H new ATOM 0 HH TYR A 111 12.401 12.407 -3.742 1.00 13.03 H new ATOM 1765 N VAL A 112 7.184 5.253 -4.062 1.00 63.51 N ATOM 1766 CA VAL A 112 6.037 4.366 -4.326 1.00 1.45 C ATOM 1767 C VAL A 112 5.179 4.964 -5.438 1.00 72.22 C ATOM 1768 O VAL A 112 4.619 6.042 -5.225 1.00 21.23 O ATOM 1769 CB VAL A 112 5.183 4.133 -3.066 1.00 31.43 C ATOM 1770 CG1 VAL A 112 3.881 3.379 -3.385 1.00 30.23 C ATOM 1771 CG2 VAL A 112 5.956 3.293 -2.049 1.00 73.31 C ATOM 0 H VAL A 112 7.042 5.894 -3.282 1.00 63.51 H new ATOM 0 HA VAL A 112 6.427 3.396 -4.636 1.00 1.45 H new ATOM 0 HB VAL A 112 4.946 5.119 -2.666 1.00 31.43 H new ATOM 0 HG11 VAL A 112 3.309 3.236 -2.468 1.00 30.23 H new ATOM 0 HG12 VAL A 112 3.290 3.958 -4.095 1.00 30.23 H new ATOM 0 HG13 VAL A 112 4.120 2.408 -3.819 1.00 30.23 H new ATOM 0 HG21 VAL A 112 5.340 3.136 -1.163 1.00 73.31 H new ATOM 0 HG22 VAL A 112 6.209 2.329 -2.490 1.00 73.31 H new ATOM 0 HG23 VAL A 112 6.871 3.814 -1.767 1.00 73.31 H new ATOM 1781 N THR A 113 5.125 4.383 -6.640 1.00 10.23 N ATOM 1782 CA THR A 113 4.425 5.006 -7.773 1.00 13.24 C ATOM 1783 C THR A 113 2.977 4.507 -7.923 1.00 21.31 C ATOM 1784 O THR A 113 2.235 5.074 -8.723 1.00 45.24 O ATOM 1785 CB THR A 113 5.236 4.836 -9.072 1.00 51.21 C ATOM 1786 OG1 THR A 113 5.439 3.457 -9.286 1.00 62.40 O ATOM 1787 CG2 THR A 113 6.613 5.492 -9.083 1.00 23.33 C ATOM 0 H THR A 113 5.556 3.484 -6.856 1.00 10.23 H new ATOM 0 HA THR A 113 4.349 6.073 -7.562 1.00 13.24 H new ATOM 0 HB THR A 113 4.648 5.330 -9.845 1.00 51.21 H new ATOM 0 HG1 THR A 113 5.690 3.305 -10.221 1.00 62.40 H new ATOM 0 HG21 THR A 113 7.095 5.310 -10.043 1.00 23.33 H new ATOM 0 HG22 THR A 113 6.506 6.566 -8.929 1.00 23.33 H new ATOM 0 HG23 THR A 113 7.224 5.070 -8.285 1.00 23.33 H new ATOM 1795 N ASP A 114 2.544 3.493 -7.160 1.00 31.10 N ATOM 1796 CA ASP A 114 1.170 2.977 -7.188 1.00 5.43 C ATOM 1797 C ASP A 114 0.823 2.350 -5.832 1.00 11.32 C ATOM 1798 O ASP A 114 1.702 1.794 -5.161 1.00 50.05 O ATOM 1799 CB ASP A 114 1.055 1.901 -8.273 1.00 22.12 C ATOM 1800 CG ASP A 114 -0.372 1.418 -8.472 1.00 53.13 C ATOM 1801 OD1 ASP A 114 -1.287 2.171 -8.057 1.00 33.32 O ATOM 1802 OD2 ASP A 114 -0.562 0.344 -9.075 1.00 3.01 O ATOM 0 H ASP A 114 3.146 3.003 -6.499 1.00 31.10 H new ATOM 0 HA ASP A 114 0.484 3.798 -7.399 1.00 5.43 H new ATOM 0 HB2 ASP A 114 1.434 2.298 -9.214 1.00 22.12 H new ATOM 0 HB3 ASP A 114 1.687 1.054 -8.007 1.00 22.12 H new ATOM 1807 N CYS A 115 -0.437 2.476 -5.399 1.00 41.34 N ATOM 1808 CA CYS A 115 -0.926 1.972 -4.127 1.00 21.34 C ATOM 1809 C CYS A 115 -2.320 1.376 -4.228 1.00 5.01 C ATOM 1810 O CYS A 115 -3.223 2.017 -4.769 1.00 33.40 O ATOM 1811 CB CYS A 115 -0.865 3.120 -3.103 1.00 63.31 C ATOM 1812 SG CYS A 115 -1.558 2.660 -1.495 1.00 42.05 S ATOM 0 H CYS A 115 -1.159 2.946 -5.945 1.00 41.34 H new ATOM 0 HA CYS A 115 -0.290 1.149 -3.802 1.00 21.34 H new ATOM 0 HB2 CYS A 115 0.172 3.430 -2.972 1.00 63.31 H new ATOM 0 HB3 CYS A 115 -1.407 3.980 -3.495 1.00 63.31 H new ATOM 0 HG CYS A 115 -1.473 3.670 -0.681 1.00 42.05 H new ATOM 1818 N TYR A 116 -2.499 0.201 -3.619 1.00 10.21 N ATOM 1819 CA TYR A 116 -3.773 -0.470 -3.444 1.00 4.42 C ATOM 1820 C TYR A 116 -3.829 -1.054 -2.029 1.00 65.33 C ATOM 1821 O TYR A 116 -3.011 -1.917 -1.701 1.00 42.35 O ATOM 1822 CB TYR A 116 -3.875 -1.548 -4.519 1.00 33.51 C ATOM 1823 CG TYR A 116 -5.259 -2.111 -4.731 1.00 64.31 C ATOM 1824 CD1 TYR A 116 -6.320 -1.278 -5.137 1.00 61.55 C ATOM 1825 CD2 TYR A 116 -5.454 -3.496 -4.636 1.00 53.02 C ATOM 1826 CE1 TYR A 116 -7.567 -1.833 -5.475 1.00 53.25 C ATOM 1827 CE2 TYR A 116 -6.695 -4.049 -4.980 1.00 32.21 C ATOM 1828 CZ TYR A 116 -7.760 -3.229 -5.415 1.00 63.45 C ATOM 1829 OH TYR A 116 -8.933 -3.778 -5.833 1.00 42.35 O ATOM 0 H TYR A 116 -1.721 -0.325 -3.220 1.00 10.21 H new ATOM 0 HA TYR A 116 -4.617 0.211 -3.551 1.00 4.42 H new ATOM 0 HB2 TYR A 116 -3.520 -1.133 -5.462 1.00 33.51 H new ATOM 0 HB3 TYR A 116 -3.203 -2.365 -4.257 1.00 33.51 H new ATOM 0 HD1 TYR A 116 -6.175 -0.209 -5.189 1.00 61.55 H new ATOM 0 HD2 TYR A 116 -4.651 -4.135 -4.299 1.00 53.02 H new ATOM 0 HE1 TYR A 116 -8.378 -1.189 -5.781 1.00 53.25 H new ATOM 0 HE2 TYR A 116 -6.839 -5.117 -4.912 1.00 32.21 H new ATOM 0 HH TYR A 116 -8.896 -4.751 -5.723 1.00 42.35 H new ATOM 1839 N ASN A 117 -4.736 -0.545 -1.186 1.00 32.11 N ATOM 1840 CA ASN A 117 -4.995 -1.059 0.161 1.00 71.35 C ATOM 1841 C ASN A 117 -6.239 -1.939 0.169 1.00 31.20 C ATOM 1842 O ASN A 117 -7.109 -1.812 -0.695 1.00 51.32 O ATOM 1843 CB ASN A 117 -5.169 0.072 1.194 1.00 32.33 C ATOM 1844 CG ASN A 117 -4.163 -0.054 2.339 1.00 31.11 C ATOM 1845 OD1 ASN A 117 -3.117 0.572 2.300 1.00 41.05 O ATOM 1846 ND2 ASN A 117 -4.372 -0.845 3.381 1.00 50.33 N ATOM 0 H ASN A 117 -5.322 0.254 -1.429 1.00 32.11 H new ATOM 0 HA ASN A 117 -4.122 -1.647 0.444 1.00 71.35 H new ATOM 0 HB2 ASN A 117 -5.044 1.037 0.703 1.00 32.33 H new ATOM 0 HB3 ASN A 117 -6.182 0.047 1.595 1.00 32.33 H new ATOM 0 HD21 ASN A 117 -3.669 -0.915 4.117 1.00 50.33 H new ATOM 0 HD22 ASN A 117 -5.236 -1.384 3.447 1.00 50.33 H new ATOM 1853 N ASP A 118 -6.374 -2.752 1.205 1.00 31.31 N ATOM 1854 CA ASP A 118 -7.599 -3.461 1.572 1.00 33.31 C ATOM 1855 C ASP A 118 -8.712 -2.524 2.062 1.00 52.05 C ATOM 1856 O ASP A 118 -9.885 -2.801 1.816 1.00 33.32 O ATOM 1857 CB ASP A 118 -7.281 -4.542 2.616 1.00 21.53 C ATOM 1858 CG ASP A 118 -6.518 -4.061 3.860 1.00 65.32 C ATOM 1859 OD1 ASP A 118 -6.376 -2.823 4.059 1.00 34.32 O ATOM 1860 OD2 ASP A 118 -5.993 -4.929 4.593 1.00 64.13 O ATOM 0 H ASP A 118 -5.602 -2.947 1.843 1.00 31.31 H new ATOM 0 HA ASP A 118 -7.985 -3.934 0.669 1.00 33.31 H new ATOM 0 HB2 ASP A 118 -8.218 -4.996 2.940 1.00 21.53 H new ATOM 0 HB3 ASP A 118 -6.697 -5.326 2.134 1.00 21.53 H new ATOM 1865 N TRP A 119 -8.369 -1.366 2.639 1.00 63.25 N ATOM 1866 CA TRP A 119 -9.317 -0.343 3.079 1.00 53.33 C ATOM 1867 C TRP A 119 -10.270 0.134 1.966 1.00 72.22 C ATOM 1868 O TRP A 119 -11.310 0.703 2.275 1.00 5.13 O ATOM 1869 CB TRP A 119 -8.553 0.866 3.639 1.00 21.54 C ATOM 1870 CG TRP A 119 -8.027 0.809 5.043 1.00 50.03 C ATOM 1871 CD1 TRP A 119 -6.727 0.806 5.415 1.00 34.30 C ATOM 1872 CD2 TRP A 119 -8.785 0.918 6.285 1.00 14.32 C ATOM 1873 NE1 TRP A 119 -6.631 0.913 6.787 1.00 10.23 N ATOM 1874 CE2 TRP A 119 -7.871 1.059 7.372 1.00 3.33 C ATOM 1875 CE3 TRP A 119 -10.161 0.965 6.589 1.00 63.23 C ATOM 1876 CZ2 TRP A 119 -8.301 1.290 8.688 1.00 71.42 C ATOM 1877 CZ3 TRP A 119 -10.604 1.151 7.910 1.00 1.12 C ATOM 1878 CH2 TRP A 119 -9.676 1.327 8.954 1.00 32.42 C ATOM 0 H TRP A 119 -7.397 -1.111 2.816 1.00 63.25 H new ATOM 0 HA TRP A 119 -9.933 -0.807 3.849 1.00 53.33 H new ATOM 0 HB2 TRP A 119 -7.707 1.055 2.978 1.00 21.54 H new ATOM 0 HB3 TRP A 119 -9.211 1.732 3.569 1.00 21.54 H new ATOM 0 HD1 TRP A 119 -5.888 0.731 4.739 1.00 34.30 H new ATOM 0 HE1 TRP A 119 -5.752 0.887 7.304 1.00 10.23 H new ATOM 0 HE3 TRP A 119 -10.885 0.856 5.795 1.00 63.23 H new ATOM 0 HZ2 TRP A 119 -7.584 1.437 9.482 1.00 71.42 H new ATOM 0 HZ3 TRP A 119 -11.662 1.159 8.125 1.00 1.12 H new ATOM 0 HH2 TRP A 119 -10.025 1.491 9.963 1.00 32.42 H new ATOM 1889 N TYR A 120 -9.938 -0.046 0.679 1.00 5.03 N ATOM 1890 CA TYR A 120 -10.898 0.071 -0.416 1.00 64.32 C ATOM 1891 C TYR A 120 -10.868 -1.165 -1.309 1.00 62.13 C ATOM 1892 O TYR A 120 -10.468 -1.128 -2.483 1.00 65.21 O ATOM 1893 CB TYR A 120 -10.757 1.409 -1.146 1.00 64.22 C ATOM 1894 CG TYR A 120 -11.290 2.531 -0.295 1.00 14.42 C ATOM 1895 CD1 TYR A 120 -12.671 2.548 -0.074 1.00 14.02 C ATOM 1896 CD2 TYR A 120 -10.450 3.387 0.449 1.00 71.31 C ATOM 1897 CE1 TYR A 120 -13.212 3.343 0.913 1.00 43.23 C ATOM 1898 CE2 TYR A 120 -11.021 4.318 1.345 1.00 24.51 C ATOM 1899 CZ TYR A 120 -12.399 4.253 1.572 1.00 13.30 C ATOM 1900 OH TYR A 120 -12.979 5.052 2.463 1.00 12.14 O ATOM 0 H TYR A 120 -8.993 -0.277 0.373 1.00 5.03 H new ATOM 0 HA TYR A 120 -11.907 0.093 -0.005 1.00 64.32 H new ATOM 0 HB2 TYR A 120 -9.709 1.591 -1.385 1.00 64.22 H new ATOM 0 HB3 TYR A 120 -11.298 1.373 -2.092 1.00 64.22 H new ATOM 0 HD1 TYR A 120 -13.318 1.933 -0.682 1.00 14.02 H new ATOM 0 HD2 TYR A 120 -9.378 3.331 0.334 1.00 71.31 H new ATOM 0 HE1 TYR A 120 -14.257 3.258 1.170 1.00 43.23 H new ATOM 0 HE2 TYR A 120 -10.411 5.059 1.840 1.00 24.51 H new ATOM 0 HH TYR A 120 -13.921 5.179 2.224 1.00 12.14 H new ATOM 1910 N ASN A 121 -11.298 -2.269 -0.701 1.00 4.24 N ATOM 1911 CA ASN A 121 -11.746 -3.495 -1.348 1.00 53.15 C ATOM 1912 C ASN A 121 -13.151 -3.292 -1.946 1.00 70.11 C ATOM 1913 O ASN A 121 -13.711 -2.199 -1.875 1.00 34.31 O ATOM 1914 CB ASN A 121 -11.719 -4.660 -0.334 1.00 30.40 C ATOM 1915 CG ASN A 121 -12.874 -4.601 0.656 1.00 11.30 C ATOM 1916 OD1 ASN A 121 -13.862 -5.304 0.467 1.00 1.43 O ATOM 1917 ND2 ASN A 121 -12.787 -3.760 1.673 1.00 11.31 N ATOM 0 H ASN A 121 -11.345 -2.333 0.316 1.00 4.24 H new ATOM 0 HA ASN A 121 -11.071 -3.747 -2.166 1.00 53.15 H new ATOM 0 HB2 ASN A 121 -11.755 -5.607 -0.873 1.00 30.40 H new ATOM 0 HB3 ASN A 121 -10.776 -4.640 0.212 1.00 30.40 H new ATOM 0 HD21 ASN A 121 -13.559 -3.679 2.335 1.00 11.31 H new ATOM 0 HD22 ASN A 121 -11.948 -3.193 1.795 1.00 11.31 H new ATOM 1924 N PHE A 122 -13.702 -4.326 -2.587 1.00 61.43 N ATOM 1925 CA PHE A 122 -14.968 -4.278 -3.322 1.00 30.23 C ATOM 1926 C PHE A 122 -16.206 -4.241 -2.420 1.00 53.11 C ATOM 1927 O PHE A 122 -17.240 -3.717 -2.842 1.00 43.13 O ATOM 1928 CB PHE A 122 -15.038 -5.504 -4.266 1.00 51.45 C ATOM 1929 CG PHE A 122 -14.974 -5.252 -5.766 1.00 1.12 C ATOM 1930 CD1 PHE A 122 -14.247 -4.173 -6.310 1.00 11.14 C ATOM 1931 CD2 PHE A 122 -15.611 -6.159 -6.637 1.00 62.54 C ATOM 1932 CE1 PHE A 122 -14.196 -3.990 -7.704 1.00 5.24 C ATOM 1933 CE2 PHE A 122 -15.522 -6.000 -8.031 1.00 61.13 C ATOM 1934 CZ PHE A 122 -14.825 -4.904 -8.566 1.00 31.44 C ATOM 0 H PHE A 122 -13.266 -5.248 -2.609 1.00 61.43 H new ATOM 0 HA PHE A 122 -14.981 -3.344 -3.884 1.00 30.23 H new ATOM 0 HB2 PHE A 122 -14.220 -6.175 -4.004 1.00 51.45 H new ATOM 0 HB3 PHE A 122 -15.966 -6.036 -4.055 1.00 51.45 H new ATOM 0 HD1 PHE A 122 -13.729 -3.487 -5.656 1.00 11.14 H new ATOM 0 HD2 PHE A 122 -16.174 -6.985 -6.229 1.00 62.54 H new ATOM 0 HE1 PHE A 122 -13.670 -3.141 -8.114 1.00 5.24 H new ATOM 0 HE2 PHE A 122 -15.988 -6.719 -8.689 1.00 61.13 H new ATOM 0 HZ PHE A 122 -14.773 -4.764 -9.636 1.00 31.44 H new ATOM 1944 N ASP A 123 -16.140 -4.771 -1.197 1.00 51.05 N ATOM 1945 CA ASP A 123 -17.283 -4.983 -0.300 1.00 3.42 C ATOM 1946 C ASP A 123 -17.622 -3.696 0.469 1.00 25.32 C ATOM 1947 O ASP A 123 -17.870 -3.703 1.678 1.00 53.31 O ATOM 1948 CB ASP A 123 -16.985 -6.177 0.623 1.00 64.42 C ATOM 1949 CG ASP A 123 -18.243 -6.788 1.241 1.00 44.24 C ATOM 1950 OD1 ASP A 123 -19.263 -6.943 0.520 1.00 10.51 O ATOM 1951 OD2 ASP A 123 -18.178 -7.229 2.410 1.00 30.03 O ATOM 0 H ASP A 123 -15.257 -5.076 -0.787 1.00 51.05 H new ATOM 0 HA ASP A 123 -18.173 -5.226 -0.880 1.00 3.42 H new ATOM 0 HB2 ASP A 123 -16.457 -6.944 0.056 1.00 64.42 H new ATOM 0 HB3 ASP A 123 -16.316 -5.854 1.421 1.00 64.42 H new ATOM 1956 N LEU A 124 -17.566 -2.572 -0.245 1.00 62.31 N ATOM 1957 CA LEU A 124 -17.575 -1.192 0.202 1.00 11.33 C ATOM 1958 C LEU A 124 -18.610 -0.424 -0.632 1.00 24.41 C ATOM 1959 O LEU A 124 -18.281 -0.012 -1.750 1.00 1.33 O ATOM 1960 CB LEU A 124 -16.154 -0.603 0.147 1.00 11.32 C ATOM 1961 CG LEU A 124 -15.995 0.846 0.653 1.00 50.34 C ATOM 1962 CD1 LEU A 124 -16.343 1.918 -0.372 1.00 2.10 C ATOM 1963 CD2 LEU A 124 -16.782 1.168 1.924 1.00 44.44 C ATOM 0 H LEU A 124 -17.507 -2.620 -1.262 1.00 62.31 H new ATOM 0 HA LEU A 124 -17.875 -1.111 1.247 1.00 11.33 H new ATOM 0 HB2 LEU A 124 -15.495 -1.244 0.732 1.00 11.32 H new ATOM 0 HB3 LEU A 124 -15.806 -0.645 -0.885 1.00 11.32 H new ATOM 0 HG LEU A 124 -14.927 0.877 0.867 1.00 50.34 H new ATOM 0 HD11 LEU A 124 -16.202 2.904 0.071 1.00 2.10 H new ATOM 0 HD12 LEU A 124 -15.694 1.814 -1.241 1.00 2.10 H new ATOM 0 HD13 LEU A 124 -17.382 1.804 -0.680 1.00 2.10 H new ATOM 0 HD21 LEU A 124 -16.610 2.207 2.205 1.00 44.44 H new ATOM 0 HD22 LEU A 124 -17.845 1.012 1.743 1.00 44.44 H new ATOM 0 HD23 LEU A 124 -16.452 0.514 2.732 1.00 44.44 H new ATOM 1975 N PRO A 125 -19.893 -0.376 -0.231 1.00 51.54 N ATOM 1976 CA PRO A 125 -20.863 0.463 -0.921 1.00 12.34 C ATOM 1977 C PRO A 125 -20.392 1.920 -0.870 1.00 41.21 C ATOM 1978 O PRO A 125 -19.960 2.418 0.171 1.00 24.01 O ATOM 1979 CB PRO A 125 -22.195 0.261 -0.196 1.00 30.41 C ATOM 1980 CG PRO A 125 -21.777 -0.139 1.218 1.00 5.10 C ATOM 1981 CD PRO A 125 -20.440 -0.856 1.030 1.00 25.03 C ATOM 0 HA PRO A 125 -20.973 0.202 -1.974 1.00 12.34 H new ATOM 0 HB2 PRO A 125 -22.793 1.172 -0.195 1.00 30.41 H new ATOM 0 HB3 PRO A 125 -22.796 -0.514 -0.671 1.00 30.41 H new ATOM 0 HG2 PRO A 125 -21.673 0.733 1.863 1.00 5.10 H new ATOM 0 HG3 PRO A 125 -22.517 -0.792 1.681 1.00 5.10 H new ATOM 0 HD2 PRO A 125 -19.763 -0.638 1.856 1.00 25.03 H new ATOM 0 HD3 PRO A 125 -20.578 -1.937 1.008 1.00 25.03 H new ATOM 1989 N ILE A 126 -20.494 2.614 -2.003 1.00 34.43 N ATOM 1990 CA ILE A 126 -20.013 3.986 -2.190 1.00 31.20 C ATOM 1991 C ILE A 126 -20.622 4.937 -1.157 1.00 63.33 C ATOM 1992 O ILE A 126 -19.964 5.883 -0.731 1.00 64.15 O ATOM 1993 CB ILE A 126 -20.369 4.420 -3.625 1.00 33.24 C ATOM 1994 CG1 ILE A 126 -19.556 3.600 -4.651 1.00 52.25 C ATOM 1995 CG2 ILE A 126 -20.132 5.912 -3.912 1.00 14.42 C ATOM 1996 CD1 ILE A 126 -20.441 3.075 -5.777 1.00 3.14 C ATOM 0 H ILE A 126 -20.926 2.227 -2.842 1.00 34.43 H new ATOM 0 HA ILE A 126 -18.933 4.023 -2.045 1.00 31.20 H new ATOM 0 HB ILE A 126 -21.439 4.235 -3.719 1.00 33.24 H new ATOM 0 HG12 ILE A 126 -18.764 4.222 -5.069 1.00 52.25 H new ATOM 0 HG13 ILE A 126 -19.072 2.763 -4.147 1.00 52.25 H new ATOM 0 HG21 ILE A 126 -20.408 6.132 -4.943 1.00 14.42 H new ATOM 0 HG22 ILE A 126 -20.741 6.514 -3.237 1.00 14.42 H new ATOM 0 HG23 ILE A 126 -19.079 6.149 -3.760 1.00 14.42 H new ATOM 0 HD11 ILE A 126 -19.835 2.503 -6.480 1.00 3.14 H new ATOM 0 HD12 ILE A 126 -21.217 2.433 -5.361 1.00 3.14 H new ATOM 0 HD13 ILE A 126 -20.904 3.914 -6.297 1.00 3.14 H new ATOM 2008 N ASN A 127 -21.866 4.684 -0.753 1.00 25.40 N ATOM 2009 CA ASN A 127 -22.627 5.487 0.181 1.00 61.42 C ATOM 2010 C ASN A 127 -21.890 5.695 1.516 1.00 62.15 C ATOM 2011 O ASN A 127 -22.042 6.750 2.130 1.00 41.31 O ATOM 2012 CB ASN A 127 -23.980 4.787 0.322 1.00 65.24 C ATOM 2013 CG ASN A 127 -24.700 5.127 1.605 1.00 34.00 C ATOM 2014 OD1 ASN A 127 -25.257 6.210 1.739 1.00 11.24 O ATOM 2015 ND2 ASN A 127 -24.729 4.214 2.551 1.00 65.13 N ATOM 0 H ASN A 127 -22.388 3.874 -1.088 1.00 25.40 H new ATOM 0 HA ASN A 127 -22.766 6.505 -0.184 1.00 61.42 H new ATOM 0 HB2 ASN A 127 -24.612 5.059 -0.524 1.00 65.24 H new ATOM 0 HB3 ASN A 127 -23.830 3.709 0.273 1.00 65.24 H new ATOM 0 HD21 ASN A 127 -25.224 4.399 3.423 1.00 65.13 H new ATOM 0 HD22 ASN A 127 -24.256 3.321 2.412 1.00 65.13 H new ATOM 2022 N GLU A 128 -21.064 4.729 1.929 1.00 10.23 N ATOM 2023 CA GLU A 128 -20.349 4.718 3.207 1.00 33.02 C ATOM 2024 C GLU A 128 -18.905 5.242 3.067 1.00 65.41 C ATOM 2025 O GLU A 128 -18.150 5.263 4.042 1.00 73.15 O ATOM 2026 CB GLU A 128 -20.338 3.264 3.730 1.00 73.05 C ATOM 2027 CG GLU A 128 -21.725 2.664 4.018 1.00 43.41 C ATOM 2028 CD GLU A 128 -22.388 3.204 5.289 1.00 13.11 C ATOM 2029 OE1 GLU A 128 -22.695 4.420 5.373 1.00 53.14 O ATOM 2030 OE2 GLU A 128 -22.684 2.389 6.184 1.00 63.14 O ATOM 0 H GLU A 128 -20.868 3.904 1.362 1.00 10.23 H new ATOM 0 HA GLU A 128 -20.858 5.382 3.906 1.00 33.02 H new ATOM 0 HB2 GLU A 128 -19.832 2.635 2.998 1.00 73.05 H new ATOM 0 HB3 GLU A 128 -19.746 3.228 4.645 1.00 73.05 H new ATOM 0 HG2 GLU A 128 -22.378 2.862 3.168 1.00 43.41 H new ATOM 0 HG3 GLU A 128 -21.630 1.581 4.102 1.00 43.41 H new ATOM 2037 N LEU A 129 -18.461 5.624 1.862 1.00 5.40 N ATOM 2038 CA LEU A 129 -17.033 5.763 1.575 1.00 43.32 C ATOM 2039 C LEU A 129 -16.373 6.845 2.416 1.00 71.44 C ATOM 2040 O LEU A 129 -15.331 6.625 3.031 1.00 72.21 O ATOM 2041 CB LEU A 129 -16.804 6.026 0.079 1.00 2.21 C ATOM 2042 CG LEU A 129 -15.378 5.615 -0.304 1.00 33.40 C ATOM 2043 CD1 LEU A 129 -15.334 5.183 -1.765 1.00 24.42 C ATOM 2044 CD2 LEU A 129 -14.225 6.570 -0.121 1.00 61.13 C ATOM 0 H LEU A 129 -19.071 5.841 1.074 1.00 5.40 H new ATOM 0 HA LEU A 129 -16.561 4.818 1.845 1.00 43.32 H new ATOM 0 HB2 LEU A 129 -17.526 5.465 -0.514 1.00 2.21 H new ATOM 0 HB3 LEU A 129 -16.961 7.082 -0.143 1.00 2.21 H new ATOM 0 HG LEU A 129 -15.205 4.835 0.437 1.00 33.40 H new ATOM 0 HD11 LEU A 129 -14.317 4.893 -2.028 1.00 24.42 H new ATOM 0 HD12 LEU A 129 -16.003 4.336 -1.914 1.00 24.42 H new ATOM 0 HD13 LEU A 129 -15.650 6.011 -2.399 1.00 24.42 H new ATOM 0 HD21 LEU A 129 -13.302 6.093 -0.450 1.00 61.13 H new ATOM 0 HD22 LEU A 129 -14.400 7.469 -0.712 1.00 61.13 H new ATOM 0 HD23 LEU A 129 -14.139 6.839 0.932 1.00 61.13 H new ATOM 2056 N GLU A 130 -16.977 8.025 2.431 1.00 3.03 N ATOM 2057 CA GLU A 130 -16.509 9.183 3.190 1.00 34.23 C ATOM 2058 C GLU A 130 -16.270 8.862 4.677 1.00 53.41 C ATOM 2059 O GLU A 130 -15.481 9.558 5.327 1.00 51.44 O ATOM 2060 CB GLU A 130 -17.532 10.318 3.014 1.00 22.52 C ATOM 2061 CG GLU A 130 -17.528 10.819 1.566 1.00 14.34 C ATOM 2062 CD GLU A 130 -18.726 11.702 1.221 1.00 31.20 C ATOM 2063 OE1 GLU A 130 -19.732 11.137 0.742 1.00 70.25 O ATOM 2064 OE2 GLU A 130 -18.578 12.941 1.139 1.00 22.01 O ATOM 0 H GLU A 130 -17.829 8.211 1.902 1.00 3.03 H new ATOM 0 HA GLU A 130 -15.538 9.490 2.802 1.00 34.23 H new ATOM 0 HB2 GLU A 130 -18.528 9.964 3.280 1.00 22.52 H new ATOM 0 HB3 GLU A 130 -17.294 11.139 3.691 1.00 22.52 H new ATOM 0 HG2 GLU A 130 -16.611 11.380 1.387 1.00 14.34 H new ATOM 0 HG3 GLU A 130 -17.514 9.961 0.894 1.00 14.34 H new ATOM 2071 N GLU A 131 -16.910 7.815 5.202 1.00 53.31 N ATOM 2072 CA GLU A 131 -16.775 7.326 6.566 1.00 63.33 C ATOM 2073 C GLU A 131 -15.616 6.321 6.676 1.00 30.50 C ATOM 2074 O GLU A 131 -14.876 6.373 7.655 1.00 53.23 O ATOM 2075 CB GLU A 131 -18.128 6.718 6.970 1.00 33.43 C ATOM 2076 CG GLU A 131 -18.333 6.524 8.475 1.00 65.44 C ATOM 2077 CD GLU A 131 -19.815 6.237 8.750 1.00 51.54 C ATOM 2078 OE1 GLU A 131 -20.291 5.112 8.489 1.00 13.22 O ATOM 2079 OE2 GLU A 131 -20.533 7.184 9.162 1.00 11.14 O ATOM 0 H GLU A 131 -17.569 7.261 4.655 1.00 53.31 H new ATOM 0 HA GLU A 131 -16.526 8.136 7.251 1.00 63.33 H new ATOM 0 HB2 GLU A 131 -18.924 7.359 6.591 1.00 33.43 H new ATOM 0 HB3 GLU A 131 -18.235 5.752 6.477 1.00 33.43 H new ATOM 0 HG2 GLU A 131 -17.718 5.699 8.834 1.00 65.44 H new ATOM 0 HG3 GLU A 131 -18.017 7.416 9.015 1.00 65.44 H new ATOM 2086 N THR A 132 -15.382 5.458 5.674 1.00 13.41 N ATOM 2087 CA THR A 132 -14.247 4.533 5.672 1.00 3.34 C ATOM 2088 C THR A 132 -12.939 5.341 5.615 1.00 52.05 C ATOM 2089 O THR A 132 -11.996 4.990 6.310 1.00 23.40 O ATOM 2090 CB THR A 132 -14.419 3.468 4.553 1.00 24.42 C ATOM 2091 OG1 THR A 132 -15.422 2.524 4.891 1.00 43.12 O ATOM 2092 CG2 THR A 132 -13.169 2.630 4.192 1.00 2.13 C ATOM 0 H THR A 132 -15.975 5.385 4.847 1.00 13.41 H new ATOM 0 HA THR A 132 -14.203 3.956 6.596 1.00 3.34 H new ATOM 0 HB THR A 132 -14.670 4.088 3.692 1.00 24.42 H new ATOM 0 HG1 THR A 132 -15.401 1.782 4.251 1.00 43.12 H new ATOM 0 HG21 THR A 132 -13.420 1.925 3.400 1.00 2.13 H new ATOM 0 HG22 THR A 132 -12.374 3.292 3.850 1.00 2.13 H new ATOM 0 HG23 THR A 132 -12.832 2.082 5.072 1.00 2.13 H new ATOM 2100 N ILE A 133 -12.845 6.443 4.846 1.00 13.00 N ATOM 2101 CA ILE A 133 -11.628 7.272 4.774 1.00 42.11 C ATOM 2102 C ILE A 133 -11.223 7.768 6.162 1.00 54.05 C ATOM 2103 O ILE A 133 -10.028 7.762 6.465 1.00 52.01 O ATOM 2104 CB ILE A 133 -11.791 8.459 3.796 1.00 45.22 C ATOM 2105 CG1 ILE A 133 -11.939 7.983 2.347 1.00 41.24 C ATOM 2106 CG2 ILE A 133 -10.549 9.344 3.774 1.00 22.33 C ATOM 2107 CD1 ILE A 133 -12.297 9.101 1.373 1.00 53.25 C ATOM 0 H ILE A 133 -13.608 6.782 4.260 1.00 13.00 H new ATOM 0 HA ILE A 133 -10.831 6.638 4.386 1.00 42.11 H new ATOM 0 HB ILE A 133 -12.674 8.993 4.147 1.00 45.22 H new ATOM 0 HG12 ILE A 133 -11.006 7.519 2.028 1.00 41.24 H new ATOM 0 HG13 ILE A 133 -12.709 7.213 2.303 1.00 41.24 H new ATOM 0 HG21 ILE A 133 -10.701 10.167 3.076 1.00 22.33 H new ATOM 0 HG22 ILE A 133 -10.369 9.744 4.772 1.00 22.33 H new ATOM 0 HG23 ILE A 133 -9.688 8.755 3.458 1.00 22.33 H new ATOM 0 HD11 ILE A 133 -12.386 8.692 0.366 1.00 53.25 H new ATOM 0 HD12 ILE A 133 -13.246 9.550 1.667 1.00 53.25 H new ATOM 0 HD13 ILE A 133 -11.516 9.861 1.388 1.00 53.25 H new ATOM 2119 N GLN A 134 -12.190 8.197 6.977 1.00 64.43 N ATOM 2120 CA GLN A 134 -11.905 8.703 8.320 1.00 33.42 C ATOM 2121 C GLN A 134 -11.235 7.614 9.158 1.00 42.02 C ATOM 2122 O GLN A 134 -10.268 7.897 9.867 1.00 53.34 O ATOM 2123 CB GLN A 134 -13.198 9.201 8.984 1.00 50.01 C ATOM 2124 CG GLN A 134 -13.786 10.463 8.333 1.00 13.30 C ATOM 2125 CD GLN A 134 -13.176 11.760 8.869 1.00 43.22 C ATOM 2126 OE1 GLN A 134 -11.968 11.878 9.057 1.00 30.10 O ATOM 2127 NE2 GLN A 134 -13.993 12.769 9.121 1.00 25.20 N ATOM 0 H GLN A 134 -13.179 8.204 6.728 1.00 64.43 H new ATOM 0 HA GLN A 134 -11.218 9.546 8.248 1.00 33.42 H new ATOM 0 HB2 GLN A 134 -13.942 8.406 8.949 1.00 50.01 H new ATOM 0 HB3 GLN A 134 -12.999 9.406 10.036 1.00 50.01 H new ATOM 0 HG2 GLN A 134 -13.630 10.414 7.255 1.00 13.30 H new ATOM 0 HG3 GLN A 134 -14.863 10.481 8.498 1.00 13.30 H new ATOM 0 HE21 GLN A 134 -14.995 12.665 8.963 1.00 25.20 H new ATOM 0 HE22 GLN A 134 -13.621 13.651 9.473 1.00 25.20 H new ATOM 2136 N ALA A 135 -11.684 6.362 9.017 1.00 23.21 N ATOM 2137 CA ALA A 135 -11.143 5.252 9.796 1.00 62.33 C ATOM 2138 C ALA A 135 -9.653 5.041 9.504 1.00 12.41 C ATOM 2139 O ALA A 135 -8.882 4.721 10.410 1.00 35.30 O ATOM 2140 CB ALA A 135 -11.938 3.979 9.510 1.00 34.41 C ATOM 0 H ALA A 135 -12.424 6.095 8.367 1.00 23.21 H new ATOM 0 HA ALA A 135 -11.237 5.496 10.854 1.00 62.33 H new ATOM 0 HB1 ALA A 135 -11.529 3.155 10.095 1.00 34.41 H new ATOM 0 HB2 ALA A 135 -12.982 4.133 9.782 1.00 34.41 H new ATOM 0 HB3 ALA A 135 -11.871 3.739 8.449 1.00 34.41 H new ATOM 2146 N VAL A 136 -9.221 5.287 8.265 1.00 44.22 N ATOM 2147 CA VAL A 136 -7.822 5.173 7.891 1.00 3.41 C ATOM 2148 C VAL A 136 -7.006 6.161 8.711 1.00 44.01 C ATOM 2149 O VAL A 136 -5.955 5.786 9.228 1.00 42.14 O ATOM 2150 CB VAL A 136 -7.612 5.469 6.386 1.00 33.33 C ATOM 2151 CG1 VAL A 136 -6.240 5.044 5.869 1.00 24.54 C ATOM 2152 CG2 VAL A 136 -8.633 4.812 5.506 1.00 31.44 C ATOM 0 H VAL A 136 -9.834 5.569 7.500 1.00 44.22 H new ATOM 0 HA VAL A 136 -7.498 4.151 8.086 1.00 3.41 H new ATOM 0 HB VAL A 136 -7.710 6.553 6.330 1.00 33.33 H new ATOM 0 HG11 VAL A 136 -6.162 5.281 4.808 1.00 24.54 H new ATOM 0 HG12 VAL A 136 -5.463 5.576 6.418 1.00 24.54 H new ATOM 0 HG13 VAL A 136 -6.114 3.971 6.011 1.00 24.54 H new ATOM 0 HG21 VAL A 136 -8.429 5.060 4.464 1.00 31.44 H new ATOM 0 HG22 VAL A 136 -8.586 3.731 5.638 1.00 31.44 H new ATOM 0 HG23 VAL A 136 -9.628 5.167 5.775 1.00 31.44 H new ATOM 2162 N GLN A 137 -7.442 7.425 8.784 1.00 24.10 N ATOM 2163 CA GLN A 137 -6.671 8.461 9.460 1.00 42.11 C ATOM 2164 C GLN A 137 -6.583 8.156 10.960 1.00 72.33 C ATOM 2165 O GLN A 137 -5.538 8.399 11.567 1.00 12.42 O ATOM 2166 CB GLN A 137 -7.308 9.848 9.239 1.00 52.31 C ATOM 2167 CG GLN A 137 -6.994 10.439 7.855 1.00 41.12 C ATOM 2168 CD GLN A 137 -8.198 10.731 6.950 1.00 2.40 C ATOM 2169 OE1 GLN A 137 -9.327 10.983 7.363 1.00 31.12 O ATOM 2170 NE2 GLN A 137 -7.966 10.724 5.648 1.00 12.21 N ATOM 0 H GLN A 137 -8.322 7.748 8.383 1.00 24.10 H new ATOM 0 HA GLN A 137 -5.666 8.473 9.038 1.00 42.11 H new ATOM 0 HB2 GLN A 137 -8.389 9.769 9.357 1.00 52.31 H new ATOM 0 HB3 GLN A 137 -6.952 10.532 10.009 1.00 52.31 H new ATOM 0 HG2 GLN A 137 -6.440 11.367 7.997 1.00 41.12 H new ATOM 0 HG3 GLN A 137 -6.332 9.750 7.331 1.00 41.12 H new ATOM 0 HE21 GLN A 137 -7.031 10.516 5.298 1.00 12.21 H new ATOM 0 HE22 GLN A 137 -8.722 10.927 4.994 1.00 12.21 H new ATOM 2179 N GLU A 138 -7.655 7.609 11.539 1.00 35.13 N ATOM 2180 CA GLU A 138 -7.695 7.261 12.954 1.00 42.22 C ATOM 2181 C GLU A 138 -6.570 6.279 13.279 1.00 52.25 C ATOM 2182 O GLU A 138 -5.679 6.569 14.078 1.00 72.53 O ATOM 2183 CB GLU A 138 -9.039 6.637 13.323 1.00 62.42 C ATOM 2184 CG GLU A 138 -10.215 7.623 13.350 1.00 22.13 C ATOM 2185 CD GLU A 138 -10.237 8.653 14.492 1.00 53.32 C ATOM 2186 OE1 GLU A 138 -9.186 9.120 14.988 1.00 15.42 O ATOM 2187 OE2 GLU A 138 -11.359 9.101 14.840 1.00 40.21 O ATOM 0 H GLU A 138 -8.517 7.397 11.037 1.00 35.13 H new ATOM 0 HA GLU A 138 -7.564 8.174 13.534 1.00 42.22 H new ATOM 0 HB2 GLU A 138 -9.264 5.843 12.611 1.00 62.42 H new ATOM 0 HB3 GLU A 138 -8.951 6.170 14.304 1.00 62.42 H new ATOM 0 HG2 GLU A 138 -10.224 8.165 12.405 1.00 22.13 H new ATOM 0 HG3 GLU A 138 -11.139 7.047 13.396 1.00 22.13 H new ATOM 2194 N GLU A 139 -6.593 5.111 12.639 1.00 44.14 N ATOM 2195 CA GLU A 139 -5.581 4.079 12.854 1.00 64.25 C ATOM 2196 C GLU A 139 -4.185 4.605 12.489 1.00 24.11 C ATOM 2197 O GLU A 139 -3.222 4.353 13.217 1.00 55.32 O ATOM 2198 CB GLU A 139 -5.939 2.774 12.113 1.00 64.25 C ATOM 2199 CG GLU A 139 -7.336 2.262 12.501 1.00 31.14 C ATOM 2200 CD GLU A 139 -7.600 0.758 12.310 1.00 34.32 C ATOM 2201 OE1 GLU A 139 -6.652 -0.063 12.288 1.00 3.10 O ATOM 2202 OE2 GLU A 139 -8.792 0.370 12.227 1.00 21.33 O ATOM 0 H GLU A 139 -7.310 4.855 11.960 1.00 44.14 H new ATOM 0 HA GLU A 139 -5.562 3.830 13.915 1.00 64.25 H new ATOM 0 HB2 GLU A 139 -5.900 2.945 11.037 1.00 64.25 H new ATOM 0 HB3 GLU A 139 -5.196 2.010 12.342 1.00 64.25 H new ATOM 0 HG2 GLU A 139 -7.509 2.507 13.549 1.00 31.14 H new ATOM 0 HG3 GLU A 139 -8.074 2.813 11.919 1.00 31.14 H new ATOM 2209 N ASN A 140 -4.066 5.407 11.428 1.00 14.24 N ATOM 2210 CA ASN A 140 -2.804 6.049 11.033 1.00 22.32 C ATOM 2211 C ASN A 140 -2.214 6.885 12.172 1.00 22.34 C ATOM 2212 O ASN A 140 -0.996 6.879 12.314 1.00 20.33 O ATOM 2213 CB ASN A 140 -2.951 6.962 9.809 1.00 65.22 C ATOM 2214 CG ASN A 140 -2.895 6.286 8.446 1.00 72.55 C ATOM 2215 OD1 ASN A 140 -2.425 5.166 8.250 1.00 50.05 O ATOM 2216 ND2 ASN A 140 -3.318 7.032 7.440 1.00 54.04 N ATOM 0 H ASN A 140 -4.847 5.633 10.812 1.00 14.24 H new ATOM 0 HA ASN A 140 -2.138 5.224 10.781 1.00 22.32 H new ATOM 0 HB2 ASN A 140 -3.901 7.490 9.889 1.00 65.22 H new ATOM 0 HB3 ASN A 140 -2.164 7.715 9.849 1.00 65.22 H new ATOM 0 HD21 ASN A 140 -3.257 6.681 6.484 1.00 54.04 H new ATOM 0 HD22 ASN A 140 -3.705 7.958 7.620 1.00 54.04 H new ATOM 2223 N LYS A 141 -3.002 7.592 12.999 1.00 62.11 N ATOM 2224 CA LYS A 141 -2.452 8.438 14.088 1.00 14.34 C ATOM 2225 C LYS A 141 -1.580 7.632 15.023 1.00 54.23 C ATOM 2226 O LYS A 141 -0.527 8.090 15.451 1.00 1.44 O ATOM 2227 CB LYS A 141 -3.563 9.052 14.937 1.00 51.45 C ATOM 2228 CG LYS A 141 -4.322 10.114 14.142 1.00 11.14 C ATOM 2229 CD LYS A 141 -5.806 10.148 14.499 1.00 20.34 C ATOM 2230 CE LYS A 141 -6.095 11.002 15.733 1.00 11.32 C ATOM 2231 NZ LYS A 141 -7.546 11.087 15.986 1.00 51.04 N ATOM 0 H LYS A 141 -4.020 7.599 12.940 1.00 62.11 H new ATOM 0 HA LYS A 141 -1.872 9.219 13.597 1.00 14.34 H new ATOM 0 HB2 LYS A 141 -4.252 8.273 15.263 1.00 51.45 H new ATOM 0 HB3 LYS A 141 -3.137 9.498 15.836 1.00 51.45 H new ATOM 0 HG2 LYS A 141 -3.881 11.093 14.333 1.00 11.14 H new ATOM 0 HG3 LYS A 141 -4.211 9.916 13.076 1.00 11.14 H new ATOM 0 HD2 LYS A 141 -6.371 10.538 13.652 1.00 20.34 H new ATOM 0 HD3 LYS A 141 -6.157 9.131 14.675 1.00 20.34 H new ATOM 0 HE2 LYS A 141 -5.595 10.574 16.602 1.00 11.32 H new ATOM 0 HE3 LYS A 141 -5.687 12.003 15.591 1.00 11.32 H new ATOM 0 HZ1 LYS A 141 -7.734 10.908 16.993 1.00 51.04 H new ATOM 0 HZ2 LYS A 141 -7.887 12.036 15.734 1.00 51.04 H new ATOM 0 HZ3 LYS A 141 -8.041 10.377 15.410 1.00 51.04 H new ATOM 2245 N ALA A 142 -2.045 6.423 15.313 1.00 2.14 N ATOM 2246 CA ALA A 142 -1.328 5.474 16.165 1.00 63.23 C ATOM 2247 C ALA A 142 0.070 5.136 15.630 1.00 33.41 C ATOM 2248 O ALA A 142 0.936 4.731 16.407 1.00 54.14 O ATOM 2249 CB ALA A 142 -2.147 4.198 16.351 1.00 63.41 C ATOM 0 H ALA A 142 -2.935 6.068 14.963 1.00 2.14 H new ATOM 0 HA ALA A 142 -1.190 5.960 17.131 1.00 63.23 H new ATOM 0 HB1 ALA A 142 -1.599 3.503 16.987 1.00 63.41 H new ATOM 0 HB2 ALA A 142 -3.101 4.443 16.818 1.00 63.41 H new ATOM 0 HB3 ALA A 142 -2.327 3.736 15.380 1.00 63.41 H new ATOM 2255 N PHE A 143 0.293 5.325 14.329 1.00 52.32 N ATOM 2256 CA PHE A 143 1.603 5.264 13.723 1.00 33.10 C ATOM 2257 C PHE A 143 2.292 6.636 13.845 1.00 22.51 C ATOM 2258 O PHE A 143 3.386 6.711 14.383 1.00 1.11 O ATOM 2259 CB PHE A 143 1.445 4.735 12.282 1.00 53.43 C ATOM 2260 CG PHE A 143 2.750 4.449 11.552 1.00 54.31 C ATOM 2261 CD1 PHE A 143 3.522 5.498 11.023 1.00 63.11 C ATOM 2262 CD2 PHE A 143 3.212 3.127 11.409 1.00 64.11 C ATOM 2263 CE1 PHE A 143 4.771 5.242 10.429 1.00 75.21 C ATOM 2264 CE2 PHE A 143 4.463 2.864 10.823 1.00 52.22 C ATOM 2265 CZ PHE A 143 5.256 3.927 10.363 1.00 32.23 C ATOM 0 H PHE A 143 -0.453 5.528 13.663 1.00 52.32 H new ATOM 0 HA PHE A 143 2.266 4.568 14.236 1.00 33.10 H new ATOM 0 HB2 PHE A 143 0.855 3.819 12.310 1.00 53.43 H new ATOM 0 HB3 PHE A 143 0.876 5.463 11.705 1.00 53.43 H new ATOM 0 HD1 PHE A 143 3.152 6.511 11.073 1.00 63.11 H new ATOM 0 HD2 PHE A 143 2.600 2.307 11.753 1.00 64.11 H new ATOM 0 HE1 PHE A 143 5.355 6.055 10.025 1.00 75.21 H new ATOM 0 HE2 PHE A 143 4.813 1.847 10.727 1.00 52.22 H new ATOM 0 HZ PHE A 143 6.238 3.733 9.959 1.00 32.23 H new ATOM 2275 N GLU A 144 1.715 7.740 13.363 1.00 32.41 N ATOM 2276 CA GLU A 144 2.449 9.009 13.147 1.00 34.32 C ATOM 2277 C GLU A 144 2.824 9.651 14.478 1.00 74.22 C ATOM 2278 O GLU A 144 3.897 10.239 14.606 1.00 55.33 O ATOM 2279 CB GLU A 144 1.625 10.113 12.460 1.00 1.10 C ATOM 2280 CG GLU A 144 0.464 9.586 11.670 1.00 63.24 C ATOM 2281 CD GLU A 144 -0.340 10.726 11.041 1.00 33.52 C ATOM 2282 OE1 GLU A 144 -0.998 11.478 11.793 1.00 61.33 O ATOM 2283 OE2 GLU A 144 -0.282 10.911 9.802 1.00 54.11 O ATOM 0 H GLU A 144 0.728 7.789 13.109 1.00 32.41 H new ATOM 0 HA GLU A 144 3.295 8.705 12.530 1.00 34.32 H new ATOM 0 HB2 GLU A 144 1.256 10.805 13.217 1.00 1.10 H new ATOM 0 HB3 GLU A 144 2.276 10.683 11.798 1.00 1.10 H new ATOM 0 HG2 GLU A 144 0.826 8.918 10.888 1.00 63.24 H new ATOM 0 HG3 GLU A 144 -0.183 8.996 12.319 1.00 63.24 H new ATOM 2290 N GLU A 145 1.919 9.596 15.458 1.00 44.35 N ATOM 2291 CA GLU A 145 2.111 10.119 16.806 1.00 54.21 C ATOM 2292 C GLU A 145 3.260 9.352 17.473 1.00 40.32 C ATOM 2293 O GLU A 145 3.768 9.763 18.520 1.00 21.52 O ATOM 2294 CB GLU A 145 0.794 9.958 17.584 1.00 62.35 C ATOM 2295 CG GLU A 145 0.709 10.822 18.852 1.00 3.34 C ATOM 2296 CD GLU A 145 -0.193 10.203 19.922 1.00 75.33 C ATOM 2297 OE1 GLU A 145 -1.426 10.117 19.756 1.00 33.42 O ATOM 2298 OE2 GLU A 145 0.361 9.742 20.955 1.00 32.30 O ATOM 0 H GLU A 145 1.001 9.170 15.327 1.00 44.35 H new ATOM 0 HA GLU A 145 2.373 11.177 16.788 1.00 54.21 H new ATOM 0 HB2 GLU A 145 -0.038 10.212 16.927 1.00 62.35 H new ATOM 0 HB3 GLU A 145 0.673 8.911 17.861 1.00 62.35 H new ATOM 0 HG2 GLU A 145 1.710 10.961 19.261 1.00 3.34 H new ATOM 0 HG3 GLU A 145 0.331 11.810 18.590 1.00 3.34 H new ATOM 2305 N LEU A 146 3.679 8.247 16.849 1.00 11.34 N ATOM 2306 CA LEU A 146 4.694 7.325 17.346 1.00 34.52 C ATOM 2307 C LEU A 146 5.905 7.180 16.420 1.00 60.20 C ATOM 2308 O LEU A 146 6.931 6.635 16.837 1.00 75.23 O ATOM 2309 CB LEU A 146 4.024 5.961 17.599 1.00 20.43 C ATOM 2310 CG LEU A 146 3.172 5.838 18.874 1.00 1.03 C ATOM 2311 CD1 LEU A 146 3.955 6.325 20.094 1.00 4.34 C ATOM 2312 CD2 LEU A 146 1.835 6.587 18.817 1.00 35.22 C ATOM 0 H LEU A 146 3.301 7.962 15.945 1.00 11.34 H new ATOM 0 HA LEU A 146 5.097 7.737 18.271 1.00 34.52 H new ATOM 0 HB2 LEU A 146 3.391 5.728 16.743 1.00 20.43 H new ATOM 0 HB3 LEU A 146 4.804 5.200 17.635 1.00 20.43 H new ATOM 0 HG LEU A 146 2.940 4.776 18.956 1.00 1.03 H new ATOM 0 HD11 LEU A 146 3.335 6.230 20.986 1.00 4.34 H new ATOM 0 HD12 LEU A 146 4.856 5.723 20.212 1.00 4.34 H new ATOM 0 HD13 LEU A 146 4.233 7.370 19.955 1.00 4.34 H new ATOM 0 HD21 LEU A 146 1.299 6.447 19.756 1.00 35.22 H new ATOM 0 HD22 LEU A 146 2.020 7.650 18.660 1.00 35.22 H new ATOM 0 HD23 LEU A 146 1.235 6.198 17.995 1.00 35.22 H new ATOM 2324 N HIS A 147 5.832 7.695 15.201 1.00 61.33 N ATOM 2325 CA HIS A 147 6.822 7.540 14.139 1.00 20.24 C ATOM 2326 C HIS A 147 7.083 8.908 13.498 1.00 11.03 C ATOM 2327 O HIS A 147 6.643 9.162 12.370 1.00 33.24 O ATOM 2328 CB HIS A 147 6.375 6.441 13.164 1.00 1.11 C ATOM 2329 CG HIS A 147 6.470 5.051 13.752 1.00 22.11 C ATOM 2330 ND1 HIS A 147 7.638 4.368 14.016 1.00 41.03 N ATOM 2331 CD2 HIS A 147 5.432 4.249 14.143 1.00 31.25 C ATOM 2332 CE1 HIS A 147 7.309 3.176 14.539 1.00 21.32 C ATOM 2333 NE2 HIS A 147 5.978 3.070 14.663 1.00 52.12 N ATOM 0 H HIS A 147 5.038 8.264 14.908 1.00 61.33 H new ATOM 0 HA HIS A 147 7.781 7.200 14.530 1.00 20.24 H new ATOM 0 HB2 HIS A 147 5.346 6.631 12.860 1.00 1.11 H new ATOM 0 HB3 HIS A 147 6.988 6.491 12.264 1.00 1.11 H new ATOM 0 HD2 HIS A 147 4.381 4.484 14.064 1.00 31.25 H new ATOM 0 HE1 HIS A 147 8.017 2.410 14.820 1.00 21.32 H new ATOM 0 HE2 HIS A 147 5.464 2.283 15.059 1.00 52.12 H new ATOM 2341 N PRO A 148 7.788 9.802 14.222 1.00 73.20 N ATOM 2342 CA PRO A 148 8.014 11.182 13.820 1.00 15.02 C ATOM 2343 C PRO A 148 8.983 11.288 12.653 1.00 2.44 C ATOM 2344 O PRO A 148 9.068 12.393 12.085 1.00 13.32 O ATOM 2345 CB PRO A 148 8.570 11.880 15.066 1.00 64.21 C ATOM 2346 CG PRO A 148 9.300 10.765 15.802 1.00 72.41 C ATOM 2347 CD PRO A 148 8.414 9.560 15.518 1.00 20.23 C ATOM 0 HA PRO A 148 7.092 11.644 13.469 1.00 15.02 H new ATOM 0 HB2 PRO A 148 9.244 12.695 14.802 1.00 64.21 H new ATOM 0 HB3 PRO A 148 7.774 12.309 15.675 1.00 64.21 H new ATOM 0 HG2 PRO A 148 10.313 10.624 15.425 1.00 72.41 H new ATOM 0 HG3 PRO A 148 9.382 10.968 16.870 1.00 72.41 H new ATOM 0 HD2 PRO A 148 9.002 8.642 15.500 1.00 20.23 H new ATOM 0 HD3 PRO A 148 7.660 9.440 16.296 1.00 20.23 H new