USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= 1.24 K(o=1.2,f=-0.092) USER MOD Single : A 5 THR OG1 : rot 31:sc= 0.209 USER MOD Single : A 8 CYS SG : rot 160:sc= 0.0406 USER MOD Single : A 18 GLN : amide:sc= -5.34! K(o=-5.3!,f=-2.3) USER MOD Single : A 21 GLN : amide:sc= 0.946 K(o=0.95,f=-1) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -120:sc=-0.00383 (180deg=-0.0636) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.9!) USER MOD Single : A 36 SER OG : rot -120:sc= -1.08 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.615) USER MOD Single : A 42 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.042) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.013) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -165:sc=-0.00912 (180deg=-0.233) USER MOD Single : A 52 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -1.46 (180deg=-6.23!) USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= 0.0093 (180deg=-0.0404) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -167:sc= -10.2! (180deg=-11.4!) USER MOD Single : A 59 MET CE :methyl -156:sc= -0.508 (180deg=-1.66!) USER MOD Single : A 60 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-7.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.32) USER MOD Single : A 71 MET CE :methyl -153:sc= -3.25 (180deg=-5.46!) USER MOD Single : A 73 ASN : amide:sc= -0.604 K(o=-0.6,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.615 -18.636 40.772 1.00 61.43 N ATOM 63 CA THR A 5 -9.040 -18.828 39.388 1.00 75.42 C ATOM 64 C THR A 5 -10.483 -18.372 39.200 1.00 53.15 C ATOM 65 O THR A 5 -11.409 -18.966 39.752 1.00 32.22 O ATOM 66 CB THR A 5 -8.899 -20.299 38.988 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.620 -20.794 39.337 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.096 -20.537 37.507 1.00 34.41 C ATOM 0 HA THR A 5 -8.398 -18.224 38.747 1.00 75.42 H new ATOM 0 HB THR A 5 -9.685 -20.823 39.532 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.297 -20.330 40.137 1.00 3.05 H new ATOM 0 HG21 THR A 5 -8.983 -21.599 37.291 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.095 -20.212 37.216 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.352 -19.971 36.946 1.00 34.41 H new ATOM 76 N ILE A 6 -10.667 -17.314 38.415 1.00 1.53 N ATOM 77 CA ILE A 6 -11.999 -16.781 38.157 1.00 33.41 C ATOM 78 C ILE A 6 -12.715 -17.585 37.076 1.00 11.10 C ATOM 79 O ILE A 6 -12.178 -18.562 36.557 1.00 72.21 O ATOM 80 CB ILE A 6 -11.941 -15.297 37.727 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.310 -15.152 36.336 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.161 -14.481 38.746 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.533 -13.793 35.711 1.00 23.21 C ATOM 0 H ILE A 6 -9.912 -16.811 37.948 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.555 -16.859 39.091 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.962 -14.918 37.679 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.238 -15.337 36.411 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.721 -15.918 35.678 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.129 -13.438 38.430 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.649 -14.550 39.718 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.145 -14.869 38.822 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.060 -13.762 34.730 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.603 -13.613 35.604 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.097 -13.024 36.348 1.00 23.21 H new ATOM 95 N PHE A 7 -13.923 -17.153 36.736 1.00 13.34 N ATOM 96 CA PHE A 7 -14.714 -17.816 35.706 1.00 50.22 C ATOM 97 C PHE A 7 -14.995 -16.851 34.564 1.00 42.14 C ATOM 98 O PHE A 7 -15.882 -16.002 34.659 1.00 72.41 O ATOM 99 CB PHE A 7 -16.030 -18.336 36.289 1.00 50.24 C ATOM 100 CG PHE A 7 -16.559 -19.551 35.580 1.00 70.43 C ATOM 101 CD1 PHE A 7 -15.859 -20.746 35.610 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.758 -19.497 34.885 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.346 -21.866 34.959 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.247 -20.612 34.233 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.540 -21.799 34.270 1.00 21.53 C ATOM 0 H PHE A 7 -14.378 -16.344 37.160 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.145 -18.664 35.325 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -15.883 -18.575 37.342 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.777 -17.544 36.243 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -14.924 -20.804 36.147 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.316 -18.573 34.853 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -15.792 -22.792 34.990 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.181 -20.556 33.694 1.00 31.12 H new ATOM 0 HZ PHE A 7 -17.921 -22.672 33.761 1.00 21.53 H new ATOM 115 N CYS A 8 -14.230 -16.976 33.483 1.00 31.32 N ATOM 116 CA CYS A 8 -14.403 -16.100 32.334 1.00 54.41 C ATOM 117 C CYS A 8 -15.790 -16.273 31.726 1.00 65.22 C ATOM 118 O CYS A 8 -16.342 -17.374 31.721 1.00 34.32 O ATOM 119 CB CYS A 8 -13.321 -16.374 31.286 1.00 24.25 C ATOM 120 SG CYS A 8 -13.248 -15.141 29.966 1.00 51.15 S ATOM 0 H CYS A 8 -13.490 -17.671 33.381 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.306 -15.069 32.673 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.352 -16.418 31.782 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.498 -17.355 30.844 1.00 24.25 H new ATOM 0 HG CYS A 8 -12.086 -15.194 29.386 1.00 51.15 H new ATOM 126 N THR A 9 -16.350 -15.183 31.209 1.00 52.25 N ATOM 127 CA THR A 9 -17.672 -15.224 30.594 1.00 12.21 C ATOM 128 C THR A 9 -17.556 -15.362 29.079 1.00 43.22 C ATOM 129 O THR A 9 -18.483 -15.824 28.413 1.00 73.23 O ATOM 130 CB THR A 9 -18.472 -13.970 30.951 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.803 -14.074 30.479 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.881 -12.700 30.380 1.00 1.45 C ATOM 0 H THR A 9 -15.910 -14.263 31.204 1.00 52.25 H new ATOM 0 HA THR A 9 -18.200 -16.095 30.983 1.00 12.21 H new ATOM 0 HB THR A 9 -18.442 -13.908 32.039 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.299 -13.263 30.718 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.497 -11.849 30.671 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.870 -12.564 30.764 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.849 -12.770 29.293 1.00 1.45 H new ATOM 140 N PHE A 10 -16.404 -14.970 28.539 1.00 65.32 N ATOM 141 CA PHE A 10 -16.160 -15.063 27.106 1.00 62.40 C ATOM 142 C PHE A 10 -15.916 -16.516 26.716 1.00 73.04 C ATOM 143 O PHE A 10 -16.459 -17.010 25.728 1.00 1.33 O ATOM 144 CB PHE A 10 -14.954 -14.204 26.718 1.00 25.33 C ATOM 145 CG PHE A 10 -14.623 -14.254 25.252 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.322 -13.475 24.346 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.613 -15.079 24.786 1.00 62.10 C ATOM 148 CE1 PHE A 10 -15.020 -13.518 22.999 1.00 51.44 C ATOM 149 CE2 PHE A 10 -13.307 -15.126 23.439 1.00 3.30 C ATOM 150 CZ PHE A 10 -14.010 -14.344 22.544 1.00 24.22 C ATOM 0 H PHE A 10 -15.626 -14.585 29.075 1.00 65.32 H new ATOM 0 HA PHE A 10 -17.037 -14.694 26.573 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -15.149 -13.170 27.002 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -14.086 -14.533 27.289 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.112 -12.827 24.696 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -13.059 -15.692 25.482 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.573 -12.906 22.302 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -12.518 -15.774 23.087 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.771 -14.378 21.491 1.00 24.22 H new ATOM 160 N LEU A 11 -15.098 -17.194 27.513 1.00 73.11 N ATOM 161 CA LEU A 11 -14.780 -18.595 27.280 1.00 31.00 C ATOM 162 C LEU A 11 -15.734 -19.497 28.051 1.00 73.10 C ATOM 163 O LEU A 11 -15.863 -20.684 27.748 1.00 62.15 O ATOM 164 CB LEU A 11 -13.336 -18.894 27.691 1.00 1.01 C ATOM 165 CG LEU A 11 -12.328 -17.774 27.421 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.293 -17.712 28.535 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.653 -17.982 26.074 1.00 2.01 C ATOM 0 H LEU A 11 -14.641 -16.791 28.331 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.892 -18.794 26.214 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.320 -19.124 28.756 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.006 -19.791 27.166 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.862 -16.824 27.395 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.584 -16.911 28.328 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.792 -17.519 29.485 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.761 -18.662 28.591 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.939 -17.178 25.897 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.130 -18.938 26.073 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.406 -17.980 25.286 1.00 2.01 H new ATOM 179 N GLN A 12 -16.398 -18.930 29.053 1.00 23.53 N ATOM 180 CA GLN A 12 -17.334 -19.683 29.871 1.00 23.44 C ATOM 181 C GLN A 12 -16.615 -20.806 30.607 1.00 25.43 C ATOM 182 O GLN A 12 -17.133 -21.917 30.727 1.00 51.41 O ATOM 183 CB GLN A 12 -18.463 -20.252 29.008 1.00 53.11 C ATOM 184 CG GLN A 12 -19.448 -19.199 28.526 1.00 64.42 C ATOM 185 CD GLN A 12 -20.316 -18.656 29.645 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.005 -19.408 30.333 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.286 -17.341 29.830 1.00 71.40 N ATOM 0 H GLN A 12 -16.303 -17.949 29.316 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.767 -19.006 30.608 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.030 -20.756 28.144 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.002 -21.007 29.580 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.899 -18.377 28.066 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.085 -19.629 27.753 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.700 -16.756 29.235 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.849 -16.917 30.567 1.00 71.40 H new ATOM 196 N ARG A 13 -15.423 -20.503 31.116 1.00 31.42 N ATOM 197 CA ARG A 13 -14.634 -21.480 31.862 1.00 30.23 C ATOM 198 C ARG A 13 -13.957 -20.815 33.057 1.00 63.10 C ATOM 199 O ARG A 13 -14.195 -19.641 33.343 1.00 64.23 O ATOM 200 CB ARG A 13 -13.566 -22.131 30.977 1.00 73.20 C ATOM 201 CG ARG A 13 -13.876 -22.099 29.493 1.00 72.11 C ATOM 202 CD ARG A 13 -12.609 -22.232 28.668 1.00 24.42 C ATOM 203 NE ARG A 13 -12.496 -23.547 28.037 1.00 51.31 N ATOM 204 CZ ARG A 13 -11.347 -24.203 27.881 1.00 21.21 C ATOM 205 NH1 ARG A 13 -10.203 -23.676 28.302 1.00 22.03 N ATOM 206 NH2 ARG A 13 -11.340 -25.394 27.297 1.00 63.21 N ATOM 0 H ARG A 13 -14.982 -19.588 31.025 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.318 -22.254 32.210 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.614 -21.628 31.148 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.438 -23.168 31.287 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.563 -22.908 29.244 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.380 -21.165 29.243 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.595 -21.460 27.899 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -11.742 -22.062 29.306 1.00 24.42 H new ATOM 0 HE ARG A 13 -13.350 -23.989 27.695 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -10.198 -22.760 28.750 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -9.329 -24.188 28.177 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -12.213 -25.806 26.968 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -10.461 -25.898 27.177 1.00 63.21 H new ATOM 220 N GLU A 14 -13.107 -21.569 33.745 1.00 1.13 N ATOM 221 CA GLU A 14 -12.390 -21.045 34.902 1.00 34.13 C ATOM 222 C GLU A 14 -10.938 -20.734 34.544 1.00 14.15 C ATOM 223 O GLU A 14 -10.151 -21.636 34.260 1.00 14.24 O ATOM 224 CB GLU A 14 -12.443 -22.039 36.063 1.00 13.12 C ATOM 225 CG GLU A 14 -12.634 -21.376 37.416 1.00 33.02 C ATOM 226 CD GLU A 14 -13.230 -22.315 38.447 1.00 62.23 C ATOM 227 OE1 GLU A 14 -14.401 -22.714 38.280 1.00 65.42 O ATOM 228 OE2 GLU A 14 -12.525 -22.649 39.422 1.00 33.53 O ATOM 0 H GLU A 14 -12.898 -22.542 33.523 1.00 1.13 H new ATOM 0 HA GLU A 14 -12.877 -20.120 35.210 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.258 -22.742 35.893 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.520 -22.619 36.078 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.672 -21.010 37.776 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.283 -20.508 37.303 1.00 33.02 H new ATOM 235 N ALA A 15 -10.593 -19.449 34.554 1.00 12.03 N ATOM 236 CA ALA A 15 -9.238 -19.018 34.227 1.00 21.22 C ATOM 237 C ALA A 15 -8.606 -18.251 35.385 1.00 54.41 C ATOM 238 O ALA A 15 -9.307 -17.732 36.254 1.00 2.04 O ATOM 239 CB ALA A 15 -9.248 -18.165 32.968 1.00 50.14 C ATOM 0 H ALA A 15 -11.233 -18.689 34.785 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.634 -19.908 34.047 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.231 -17.849 32.734 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.647 -18.747 32.137 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.873 -17.286 33.129 1.00 50.14 H new ATOM 245 N GLU A 16 -7.277 -18.188 35.392 1.00 3.04 N ATOM 246 CA GLU A 16 -6.546 -17.488 36.446 1.00 72.43 C ATOM 247 C GLU A 16 -6.980 -16.029 36.551 1.00 31.24 C ATOM 248 O GLU A 16 -6.807 -15.394 37.591 1.00 54.24 O ATOM 249 CB GLU A 16 -5.039 -17.569 36.196 1.00 40.45 C ATOM 250 CG GLU A 16 -4.627 -17.201 34.780 1.00 2.55 C ATOM 251 CD GLU A 16 -3.517 -18.086 34.246 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.422 -18.092 34.848 1.00 44.31 O ATOM 253 OE2 GLU A 16 -3.743 -18.774 33.228 1.00 45.02 O ATOM 0 H GLU A 16 -6.684 -18.613 34.680 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.778 -17.979 37.391 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.529 -16.907 36.896 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.699 -18.582 36.411 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.493 -17.275 34.123 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.299 -16.162 34.760 1.00 2.55 H new ATOM 260 N GLY A 17 -7.545 -15.509 35.472 1.00 52.13 N ATOM 261 CA GLY A 17 -7.999 -14.130 35.462 1.00 51.12 C ATOM 262 C GLY A 17 -6.857 -13.133 35.515 1.00 22.35 C ATOM 263 O GLY A 17 -5.751 -13.416 35.055 1.00 53.22 O ATOM 0 H GLY A 17 -7.698 -16.017 34.601 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.588 -13.953 34.562 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.660 -13.964 36.313 1.00 51.12 H new ATOM 267 N GLN A 18 -7.134 -11.961 36.074 1.00 21.14 N ATOM 268 CA GLN A 18 -6.137 -10.905 36.189 1.00 54.11 C ATOM 269 C GLN A 18 -5.837 -10.595 37.650 1.00 43.52 C ATOM 270 O GLN A 18 -6.560 -11.026 38.548 1.00 15.54 O ATOM 271 CB GLN A 18 -6.632 -9.647 35.475 1.00 11.52 C ATOM 272 CG GLN A 18 -6.990 -9.889 34.018 1.00 53.05 C ATOM 273 CD GLN A 18 -8.479 -9.771 33.741 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.886 -9.290 32.683 1.00 1.12 O ATOM 275 NE2 GLN A 18 -9.302 -10.211 34.688 1.00 14.32 N ATOM 0 H GLN A 18 -8.048 -11.718 36.457 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.215 -11.248 35.719 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.506 -9.260 35.998 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.861 -8.878 35.531 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.453 -9.174 33.395 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.650 -10.883 33.727 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.924 -10.603 35.551 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -10.311 -10.157 34.552 1.00 14.32 H new ATOM 284 N ASP A 19 -4.763 -9.845 37.885 1.00 30.30 N ATOM 285 CA ASP A 19 -4.368 -9.480 39.239 1.00 31.15 C ATOM 286 C ASP A 19 -4.663 -8.010 39.522 1.00 54.34 C ATOM 287 O ASP A 19 -4.813 -7.609 40.676 1.00 62.12 O ATOM 288 CB ASP A 19 -2.880 -9.765 39.451 1.00 61.25 C ATOM 289 CG ASP A 19 -2.600 -11.235 39.693 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.439 -12.071 39.296 1.00 63.02 O ATOM 291 OD2 ASP A 19 -1.544 -11.550 40.281 1.00 32.45 O ATOM 0 H ASP A 19 -4.152 -9.479 37.154 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.951 -10.084 39.934 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.321 -9.431 38.577 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.520 -9.185 40.301 1.00 61.25 H new ATOM 296 N PHE A 20 -4.743 -7.208 38.464 1.00 75.50 N ATOM 297 CA PHE A 20 -5.017 -5.784 38.605 1.00 61.11 C ATOM 298 C PHE A 20 -5.999 -5.308 37.540 1.00 11.10 C ATOM 299 O PHE A 20 -5.971 -5.779 36.402 1.00 10.14 O ATOM 300 CB PHE A 20 -3.719 -4.979 38.514 1.00 42.10 C ATOM 301 CG PHE A 20 -2.791 -5.458 37.436 1.00 20.33 C ATOM 302 CD1 PHE A 20 -1.927 -6.518 37.667 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.781 -4.850 36.191 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.072 -6.961 36.677 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.928 -5.290 35.196 1.00 13.12 C ATOM 306 CZ PHE A 20 -1.072 -6.346 35.439 1.00 51.01 C ATOM 0 H PHE A 20 -4.622 -7.521 37.501 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.467 -5.625 39.585 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.962 -3.932 38.334 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.204 -5.026 39.473 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -1.923 -7.003 38.632 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -3.447 -4.023 35.996 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.404 -7.787 36.870 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -1.931 -4.808 34.229 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.404 -6.691 34.664 1.00 51.01 H new ATOM 316 N GLN A 21 -6.864 -4.373 37.916 1.00 15.34 N ATOM 317 CA GLN A 21 -7.852 -3.830 36.992 1.00 22.42 C ATOM 318 C GLN A 21 -7.171 -3.086 35.845 1.00 75.54 C ATOM 319 O GLN A 21 -6.456 -2.108 36.066 1.00 3.30 O ATOM 320 CB GLN A 21 -8.808 -2.897 37.738 1.00 41.11 C ATOM 321 CG GLN A 21 -10.006 -2.472 36.910 1.00 63.45 C ATOM 322 CD GLN A 21 -11.072 -1.781 37.737 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.272 -2.103 38.909 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.767 -0.823 37.133 1.00 51.02 N ATOM 0 H GLN A 21 -6.901 -3.975 38.855 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.422 -4.657 36.569 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.159 -3.396 38.641 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.262 -2.009 38.056 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.675 -1.801 36.117 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.438 -3.348 36.427 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.570 -0.586 36.161 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.497 -0.324 37.642 1.00 51.02 H new ATOM 333 N LEU A 22 -7.388 -3.563 34.622 1.00 10.45 N ATOM 334 CA LEU A 22 -6.782 -2.951 33.440 1.00 4.02 C ATOM 335 C LEU A 22 -7.607 -1.768 32.934 1.00 35.51 C ATOM 336 O LEU A 22 -7.053 -0.769 32.474 1.00 71.53 O ATOM 337 CB LEU A 22 -6.625 -3.990 32.328 1.00 12.14 C ATOM 338 CG LEU A 22 -6.054 -5.336 32.776 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.899 -6.270 31.587 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.719 -5.142 33.479 1.00 4.03 C ATOM 0 H LEU A 22 -7.978 -4.371 34.422 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.799 -2.578 33.728 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.600 -4.160 31.870 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.977 -3.577 31.555 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.751 -5.788 33.481 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.491 -7.223 31.924 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.872 -6.435 31.124 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.222 -5.823 30.859 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.328 -6.110 33.791 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.014 -4.668 32.796 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.858 -4.508 34.355 1.00 4.03 H new ATOM 352 N TYR A 23 -8.929 -1.883 33.018 1.00 34.05 N ATOM 353 CA TYR A 23 -9.815 -0.814 32.565 1.00 23.50 C ATOM 354 C TYR A 23 -10.325 0.000 33.754 1.00 25.40 C ATOM 355 O TYR A 23 -10.223 -0.433 34.897 1.00 43.13 O ATOM 356 CB TYR A 23 -10.993 -1.392 31.783 1.00 63.45 C ATOM 357 CG TYR A 23 -11.115 -0.854 30.379 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.009 -0.761 29.546 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.342 -0.435 29.891 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.127 -0.262 28.262 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.470 0.063 28.614 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.359 0.149 27.800 1.00 12.35 C ATOM 363 OH TYR A 23 -11.482 0.646 26.523 1.00 2.05 O ATOM 0 H TYR A 23 -9.409 -2.701 33.393 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.247 -0.155 31.908 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.891 -2.476 31.739 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.915 -1.181 32.324 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.043 -1.083 29.906 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.214 -0.500 30.524 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.258 -0.195 27.624 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.435 0.385 28.251 1.00 71.50 H new ATOM 0 HH TYR A 23 -10.810 0.230 25.944 1.00 2.05 H new ATOM 373 N PRO A 24 -10.876 1.198 33.507 1.00 32.24 N ATOM 374 CA PRO A 24 -11.389 2.069 34.563 1.00 11.05 C ATOM 375 C PRO A 24 -12.872 1.852 34.836 1.00 1.33 C ATOM 376 O PRO A 24 -13.464 0.869 34.390 1.00 21.12 O ATOM 377 CB PRO A 24 -11.184 3.437 33.936 1.00 65.33 C ATOM 378 CG PRO A 24 -11.579 3.201 32.521 1.00 43.20 C ATOM 379 CD PRO A 24 -11.040 1.829 32.179 1.00 63.42 C ATOM 0 HA PRO A 24 -10.899 1.906 35.523 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.804 4.198 34.410 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.150 3.771 34.019 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.662 3.239 32.404 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.160 3.963 31.864 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.731 1.269 31.548 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.094 1.889 31.641 1.00 63.42 H new ATOM 387 N GLY A 25 -13.463 2.799 35.553 1.00 62.31 N ATOM 388 CA GLY A 25 -14.877 2.744 35.867 1.00 55.53 C ATOM 389 C GLY A 25 -15.367 1.372 36.275 1.00 61.45 C ATOM 390 O GLY A 25 -14.637 0.585 36.874 1.00 31.03 O ATOM 0 H GLY A 25 -12.979 3.615 35.927 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -15.087 3.447 36.673 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.444 3.077 34.998 1.00 55.53 H new ATOM 394 N GLU A 26 -16.626 1.104 35.952 1.00 34.32 N ATOM 395 CA GLU A 26 -17.261 -0.166 36.284 1.00 25.33 C ATOM 396 C GLU A 26 -16.901 -1.251 35.280 1.00 14.12 C ATOM 397 O GLU A 26 -16.708 -2.410 35.650 1.00 61.02 O ATOM 398 CB GLU A 26 -18.779 0.003 36.337 1.00 60.13 C ATOM 399 CG GLU A 26 -19.258 0.844 37.509 1.00 32.34 C ATOM 400 CD GLU A 26 -20.255 1.906 37.096 1.00 53.51 C ATOM 401 OE1 GLU A 26 -21.072 1.633 36.192 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.221 3.011 37.676 1.00 61.30 O ATOM 0 H GLU A 26 -17.233 1.756 35.455 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.893 -0.474 37.263 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -19.117 0.463 35.409 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.244 -0.981 36.393 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.714 0.194 38.255 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.400 1.321 37.983 1.00 32.34 H new ATOM 409 N LEU A 27 -16.817 -0.878 34.008 1.00 43.20 N ATOM 410 CA LEU A 27 -16.486 -1.839 32.965 1.00 70.03 C ATOM 411 C LEU A 27 -15.163 -2.530 33.276 1.00 3.24 C ATOM 412 O LEU A 27 -15.053 -3.751 33.188 1.00 43.43 O ATOM 413 CB LEU A 27 -16.442 -1.166 31.594 1.00 42.54 C ATOM 414 CG LEU A 27 -17.541 -1.631 30.635 1.00 51.12 C ATOM 415 CD1 LEU A 27 -18.045 -0.472 29.792 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.037 -2.763 29.752 1.00 51.13 C ATOM 0 H LEU A 27 -16.972 0.074 33.677 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.269 -2.596 32.938 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.524 -0.087 31.728 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.471 -1.358 31.138 1.00 42.54 H new ATOM 0 HG LEU A 27 -18.376 -2.006 31.227 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -18.825 -0.825 29.118 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -18.451 0.302 30.443 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -17.221 -0.060 29.209 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -17.832 -3.080 29.077 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -16.183 -2.417 29.169 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -16.734 -3.604 30.376 1.00 51.13 H new ATOM 428 N GLY A 28 -14.163 -1.746 33.661 1.00 3.43 N ATOM 429 CA GLY A 28 -12.878 -2.320 34.002 1.00 70.33 C ATOM 430 C GLY A 28 -12.992 -3.330 35.119 1.00 53.45 C ATOM 431 O GLY A 28 -12.279 -4.330 35.134 1.00 64.53 O ATOM 0 H GLY A 28 -14.219 -0.731 33.742 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.449 -2.799 33.122 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -12.193 -1.526 34.299 1.00 70.33 H new ATOM 435 N LYS A 29 -13.901 -3.073 36.052 1.00 41.30 N ATOM 436 CA LYS A 29 -14.110 -3.975 37.175 1.00 11.31 C ATOM 437 C LYS A 29 -14.736 -5.289 36.712 1.00 74.12 C ATOM 438 O LYS A 29 -14.343 -6.364 37.166 1.00 50.10 O ATOM 439 CB LYS A 29 -14.994 -3.316 38.232 1.00 13.40 C ATOM 440 CG LYS A 29 -14.672 -3.755 39.651 1.00 74.43 C ATOM 441 CD LYS A 29 -15.926 -3.837 40.506 1.00 54.40 C ATOM 442 CE LYS A 29 -16.440 -2.455 40.870 1.00 33.14 C ATOM 443 NZ LYS A 29 -17.490 -1.982 39.924 1.00 73.52 N ATOM 0 H LYS A 29 -14.503 -2.250 36.052 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.137 -4.195 37.615 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -14.886 -2.234 38.162 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.037 -3.546 38.017 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.181 -4.728 39.630 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.969 -3.053 40.100 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.700 -4.385 39.968 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.712 -4.398 41.415 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -16.846 -2.474 41.882 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.610 -1.749 40.873 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -17.175 -1.102 39.467 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.656 -2.708 39.198 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -18.372 -1.805 40.445 1.00 73.52 H new ATOM 457 N ARG A 30 -15.710 -5.200 35.807 1.00 14.42 N ATOM 458 CA ARG A 30 -16.381 -6.392 35.289 1.00 74.43 C ATOM 459 C ARG A 30 -15.445 -7.199 34.394 1.00 51.04 C ATOM 460 O ARG A 30 -15.383 -8.418 34.500 1.00 65.32 O ATOM 461 CB ARG A 30 -17.651 -6.022 34.520 1.00 42.34 C ATOM 462 CG ARG A 30 -17.415 -5.020 33.412 1.00 12.00 C ATOM 463 CD ARG A 30 -18.712 -4.617 32.727 1.00 64.35 C ATOM 464 NE ARG A 30 -19.410 -5.764 32.151 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.585 -5.683 31.531 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.199 -4.513 31.407 1.00 71.24 N ATOM 467 NH2 ARG A 30 -21.150 -6.775 31.032 1.00 70.40 N ATOM 0 H ARG A 30 -16.051 -4.320 35.419 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.663 -7.006 36.144 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -18.085 -6.927 34.094 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.383 -5.615 35.218 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.930 -4.134 33.821 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.733 -5.446 32.676 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -19.363 -4.122 33.447 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.497 -3.893 31.941 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.971 -6.681 32.229 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.771 -3.669 31.788 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -22.099 -4.457 30.931 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.684 -7.678 31.123 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -22.050 -6.712 30.557 1.00 70.40 H new ATOM 481 N ILE A 31 -14.708 -6.518 33.519 1.00 42.52 N ATOM 482 CA ILE A 31 -13.771 -7.201 32.628 1.00 44.44 C ATOM 483 C ILE A 31 -12.738 -7.941 33.454 1.00 73.55 C ATOM 484 O ILE A 31 -12.536 -9.145 33.306 1.00 62.43 O ATOM 485 CB ILE A 31 -13.040 -6.220 31.694 1.00 54.41 C ATOM 486 CG1 ILE A 31 -14.036 -5.326 30.960 1.00 20.53 C ATOM 487 CG2 ILE A 31 -12.171 -6.976 30.701 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.524 -3.923 30.765 1.00 24.11 C ATOM 0 H ILE A 31 -14.740 -5.505 33.408 1.00 42.52 H new ATOM 0 HA ILE A 31 -14.349 -7.892 32.014 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.397 -5.585 32.304 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -14.263 -5.764 29.988 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.970 -5.293 31.521 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.662 -6.266 30.049 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -11.432 -7.567 31.241 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.796 -7.637 30.100 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -14.273 -3.332 30.238 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.323 -3.471 31.736 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.605 -3.949 30.180 1.00 24.11 H new ATOM 500 N TYR A 32 -12.110 -7.197 34.348 1.00 64.50 N ATOM 501 CA TYR A 32 -11.115 -7.751 35.242 1.00 23.32 C ATOM 502 C TYR A 32 -11.741 -8.848 36.105 1.00 71.21 C ATOM 503 O TYR A 32 -11.034 -9.663 36.699 1.00 4.24 O ATOM 504 CB TYR A 32 -10.521 -6.628 36.103 1.00 61.31 C ATOM 505 CG TYR A 32 -10.116 -7.041 37.498 1.00 14.12 C ATOM 506 CD1 TYR A 32 -11.047 -7.061 38.529 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.807 -7.401 37.785 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.683 -7.430 39.809 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.433 -7.770 39.063 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.375 -7.782 40.071 1.00 75.01 C ATOM 511 OH TYR A 32 -9.007 -8.147 41.347 1.00 23.44 O ATOM 0 H TYR A 32 -12.276 -6.198 34.472 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.308 -8.203 34.665 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.648 -6.222 35.592 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -11.251 -5.822 36.176 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -12.071 -6.784 38.326 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -8.069 -7.393 36.997 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.418 -7.443 40.600 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.410 -8.047 39.271 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.052 -8.366 41.362 1.00 23.44 H new ATOM 521 N ASN A 33 -13.076 -8.851 36.185 1.00 73.34 N ATOM 522 CA ASN A 33 -13.792 -9.839 36.995 1.00 54.32 C ATOM 523 C ASN A 33 -14.289 -11.038 36.174 1.00 71.34 C ATOM 524 O ASN A 33 -14.014 -12.186 36.523 1.00 44.01 O ATOM 525 CB ASN A 33 -14.982 -9.182 37.694 1.00 0.31 C ATOM 526 CG ASN A 33 -14.650 -8.733 39.103 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.758 -9.283 39.749 1.00 33.41 O ATOM 528 ND2 ASN A 33 -15.372 -7.730 39.588 1.00 61.25 N ATOM 0 H ASN A 33 -13.678 -8.184 35.702 1.00 73.34 H new ATOM 0 HA ASN A 33 -13.079 -10.216 37.728 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.313 -8.323 37.111 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.814 -9.885 37.726 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -15.197 -7.385 40.532 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -16.102 -7.304 39.017 1.00 61.25 H new ATOM 535 N GLU A 34 -15.050 -10.771 35.115 1.00 11.44 N ATOM 536 CA GLU A 34 -15.615 -11.839 34.289 1.00 12.01 C ATOM 537 C GLU A 34 -14.750 -12.167 33.072 1.00 33.04 C ATOM 538 O GLU A 34 -14.919 -13.217 32.460 1.00 14.34 O ATOM 539 CB GLU A 34 -17.022 -11.456 33.825 1.00 14.34 C ATOM 540 CG GLU A 34 -17.891 -10.870 34.926 1.00 71.44 C ATOM 541 CD GLU A 34 -19.297 -10.557 34.454 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.823 -11.318 33.615 1.00 60.04 O ATOM 543 OE2 GLU A 34 -19.871 -9.552 34.924 1.00 51.51 O ATOM 0 H GLU A 34 -15.290 -9.828 34.808 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.653 -12.732 34.913 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.943 -10.733 33.013 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.514 -12.340 33.418 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.939 -11.572 35.758 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.427 -9.959 35.304 1.00 71.44 H new ATOM 550 N ILE A 35 -13.825 -11.282 32.723 1.00 41.23 N ATOM 551 CA ILE A 35 -12.949 -11.522 31.581 1.00 15.01 C ATOM 552 C ILE A 35 -11.524 -11.805 32.048 1.00 22.10 C ATOM 553 O ILE A 35 -10.947 -11.037 32.819 1.00 72.42 O ATOM 554 CB ILE A 35 -12.952 -10.329 30.598 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.369 -10.078 30.070 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.997 -10.585 29.438 1.00 51.33 C ATOM 557 CD1 ILE A 35 -15.097 -11.343 29.679 1.00 44.35 C ATOM 0 H ILE A 35 -13.662 -10.400 33.208 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.334 -12.395 31.054 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.614 -9.442 31.135 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.946 -9.557 30.834 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.315 -9.417 29.205 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -12.014 -9.733 28.758 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.986 -10.722 29.822 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.307 -11.483 28.903 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -16.093 -11.092 29.314 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.541 -11.855 28.893 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.183 -11.997 30.547 1.00 44.35 H new ATOM 569 N SER A 36 -10.966 -12.917 31.581 1.00 32.24 N ATOM 570 CA SER A 36 -9.614 -13.311 31.954 1.00 70.31 C ATOM 571 C SER A 36 -8.595 -12.828 30.926 1.00 1.11 C ATOM 572 O SER A 36 -8.956 -12.221 29.919 1.00 2.44 O ATOM 573 CB SER A 36 -9.523 -14.831 32.098 1.00 53.15 C ATOM 574 OG SER A 36 -8.333 -15.209 32.768 1.00 41.34 O ATOM 0 H SER A 36 -11.431 -13.562 30.942 1.00 32.24 H new ATOM 0 HA SER A 36 -9.384 -12.845 32.912 1.00 70.31 H new ATOM 0 HB2 SER A 36 -10.388 -15.200 32.650 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.552 -15.295 31.112 1.00 53.15 H new ATOM 0 HG SER A 36 -7.798 -15.786 32.184 1.00 41.34 H new ATOM 580 N LYS A 37 -7.324 -13.106 31.192 1.00 42.00 N ATOM 581 CA LYS A 37 -6.250 -12.706 30.292 1.00 52.25 C ATOM 582 C LYS A 37 -6.391 -13.389 28.937 1.00 52.31 C ATOM 583 O LYS A 37 -6.108 -12.793 27.899 1.00 14.05 O ATOM 584 CB LYS A 37 -4.889 -13.046 30.904 1.00 71.22 C ATOM 585 CG LYS A 37 -4.643 -12.384 32.250 1.00 2.54 C ATOM 586 CD LYS A 37 -3.294 -11.684 32.291 1.00 32.52 C ATOM 587 CE LYS A 37 -2.635 -11.824 33.653 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.853 -10.619 34.501 1.00 43.10 N ATOM 0 H LYS A 37 -7.012 -13.607 32.024 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.318 -11.628 30.146 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.813 -14.127 31.021 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.103 -12.744 30.211 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -5.434 -11.662 32.451 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.688 -13.135 33.039 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.642 -12.104 31.525 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.424 -10.628 32.055 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.034 -12.702 34.161 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -1.565 -11.988 33.524 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -2.700 -10.865 35.500 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -2.185 -9.873 34.222 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -3.827 -10.277 34.374 1.00 43.10 H new ATOM 602 N GLU A 38 -6.829 -14.644 28.955 1.00 41.40 N ATOM 603 CA GLU A 38 -7.004 -15.406 27.725 1.00 54.20 C ATOM 604 C GLU A 38 -7.969 -14.697 26.779 1.00 31.43 C ATOM 605 O GLU A 38 -7.704 -14.586 25.583 1.00 60.21 O ATOM 606 CB GLU A 38 -7.509 -16.817 28.034 1.00 41.40 C ATOM 607 CG GLU A 38 -6.869 -17.891 27.169 1.00 62.41 C ATOM 608 CD GLU A 38 -7.063 -19.286 27.731 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.034 -19.490 28.490 1.00 54.15 O ATOM 610 OE2 GLU A 38 -6.244 -20.173 27.412 1.00 72.33 O ATOM 0 H GLU A 38 -7.069 -15.153 29.806 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.034 -15.481 27.234 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.315 -17.043 29.083 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.590 -16.846 27.896 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.294 -17.845 26.166 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.803 -17.687 27.073 1.00 62.41 H new ATOM 617 N ALA A 39 -9.084 -14.211 27.322 1.00 51.41 N ATOM 618 CA ALA A 39 -10.078 -13.506 26.518 1.00 63.44 C ATOM 619 C ALA A 39 -9.668 -12.054 26.299 1.00 13.12 C ATOM 620 O ALA A 39 -9.892 -11.491 25.227 1.00 44.04 O ATOM 621 CB ALA A 39 -11.450 -13.582 27.171 1.00 12.31 C ATOM 0 H ALA A 39 -9.320 -14.292 28.311 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.134 -13.994 25.545 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.176 -13.050 26.556 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.750 -14.625 27.266 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.408 -13.125 28.160 1.00 12.31 H new ATOM 627 N TRP A 40 -9.063 -11.452 27.320 1.00 21.45 N ATOM 628 CA TRP A 40 -8.616 -10.067 27.230 1.00 64.40 C ATOM 629 C TRP A 40 -7.555 -9.922 26.146 1.00 11.24 C ATOM 630 O TRP A 40 -7.531 -8.932 25.415 1.00 3.30 O ATOM 631 CB TRP A 40 -8.061 -9.597 28.576 1.00 22.34 C ATOM 632 CG TRP A 40 -7.769 -8.125 28.625 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.561 -7.539 28.865 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.705 -7.055 28.439 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.686 -6.170 28.840 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.993 -5.848 28.580 1.00 22.04 C ATOM 637 CE3 TRP A 40 -10.075 -6.998 28.165 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.605 -4.602 28.459 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.680 -5.761 28.043 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.945 -4.578 28.191 1.00 72.40 C ATOM 0 H TRP A 40 -8.872 -11.901 28.216 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.472 -9.444 26.968 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.777 -9.843 29.360 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -7.146 -10.148 28.795 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.640 -8.073 29.048 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.929 -5.503 28.990 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.651 -7.905 28.051 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -8.041 -3.688 28.573 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.737 -5.706 27.830 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.447 -3.627 28.091 1.00 72.40 H new ATOM 651 N ALA A 41 -6.684 -10.923 26.041 1.00 22.20 N ATOM 652 CA ALA A 41 -5.629 -10.911 25.035 1.00 53.14 C ATOM 653 C ALA A 41 -6.230 -10.840 23.639 1.00 42.33 C ATOM 654 O ALA A 41 -5.759 -10.089 22.783 1.00 53.05 O ATOM 655 CB ALA A 41 -4.745 -12.141 25.178 1.00 23.01 C ATOM 0 H ALA A 41 -6.689 -11.749 26.639 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.011 -10.026 25.188 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.962 -12.117 24.420 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.290 -12.149 26.169 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.348 -13.040 25.048 1.00 23.01 H new ATOM 661 N GLN A 42 -7.285 -11.620 23.418 1.00 45.32 N ATOM 662 CA GLN A 42 -7.968 -11.641 22.132 1.00 24.31 C ATOM 663 C GLN A 42 -8.595 -10.283 21.847 1.00 23.11 C ATOM 664 O GLN A 42 -8.672 -9.849 20.697 1.00 73.11 O ATOM 665 CB GLN A 42 -9.046 -12.726 22.128 1.00 64.34 C ATOM 666 CG GLN A 42 -8.573 -14.050 22.705 1.00 12.21 C ATOM 667 CD GLN A 42 -9.380 -15.230 22.203 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.273 -15.620 21.040 1.00 75.14 O ATOM 669 NE2 GLN A 42 -10.191 -15.808 23.081 1.00 44.42 N ATOM 0 H GLN A 42 -7.685 -12.247 24.116 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.239 -11.862 21.352 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.906 -12.376 22.699 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.387 -12.885 21.105 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.524 -14.198 22.450 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.634 -14.010 23.793 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -10.248 -15.451 24.035 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.757 -16.609 22.802 1.00 44.42 H new ATOM 678 N TRP A 43 -9.038 -9.613 22.906 1.00 55.12 N ATOM 679 CA TRP A 43 -9.653 -8.300 22.777 1.00 54.33 C ATOM 680 C TRP A 43 -8.609 -7.257 22.393 1.00 32.20 C ATOM 681 O TRP A 43 -8.805 -6.491 21.451 1.00 45.45 O ATOM 682 CB TRP A 43 -10.342 -7.900 24.087 1.00 21.24 C ATOM 683 CG TRP A 43 -10.593 -6.427 24.203 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.069 -5.578 25.134 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.422 -5.629 23.351 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.522 -4.299 24.914 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.356 -4.306 23.827 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.213 -5.907 22.234 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -12.054 -3.263 23.221 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.905 -4.872 21.634 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.821 -3.565 22.127 1.00 23.41 C ATOM 0 H TRP A 43 -8.982 -9.960 23.864 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.404 -8.349 21.988 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.291 -8.430 24.166 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.726 -8.223 24.926 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.397 -5.869 25.928 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.277 -3.479 25.469 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.283 -6.913 21.846 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.992 -2.254 23.600 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.521 -5.075 20.770 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.373 -2.778 21.635 1.00 23.41 H new ATOM 702 N GLN A 44 -7.499 -7.233 23.126 1.00 51.52 N ATOM 703 CA GLN A 44 -6.426 -6.281 22.856 1.00 3.30 C ATOM 704 C GLN A 44 -6.056 -6.298 21.376 1.00 74.45 C ATOM 705 O GLN A 44 -5.999 -5.254 20.726 1.00 32.54 O ATOM 706 CB GLN A 44 -5.195 -6.602 23.710 1.00 73.54 C ATOM 707 CG GLN A 44 -5.520 -6.886 25.167 1.00 4.42 C ATOM 708 CD GLN A 44 -4.847 -5.917 26.118 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.945 -6.291 26.870 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.280 -4.662 26.091 1.00 2.33 N ATOM 0 H GLN A 44 -7.319 -7.861 23.910 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.781 -5.284 23.116 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.685 -7.467 23.286 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.500 -5.764 23.659 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.600 -6.838 25.310 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.211 -7.902 25.412 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -6.029 -4.395 25.453 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.863 -3.965 26.708 1.00 2.33 H new ATOM 719 N HIS A 45 -5.814 -7.495 20.851 1.00 5.13 N ATOM 720 CA HIS A 45 -5.461 -7.658 19.445 1.00 12.51 C ATOM 721 C HIS A 45 -6.552 -7.071 18.552 1.00 52.13 C ATOM 722 O HIS A 45 -6.275 -6.568 17.463 1.00 22.04 O ATOM 723 CB HIS A 45 -5.251 -9.142 19.122 1.00 61.45 C ATOM 724 CG HIS A 45 -5.142 -9.434 17.655 1.00 44.53 C ATOM 725 ND1 HIS A 45 -3.938 -9.580 17.001 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.101 -9.606 16.713 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.157 -9.829 15.721 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.462 -9.850 15.522 1.00 45.21 N ATOM 0 H HIS A 45 -5.856 -8.367 21.379 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.531 -7.123 19.254 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.345 -9.488 19.620 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.081 -9.715 19.536 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.169 -9.560 16.870 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.399 -9.988 14.968 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.922 -10.020 14.628 1.00 45.21 H new ATOM 736 N LYS A 46 -7.792 -7.139 19.024 1.00 55.53 N ATOM 737 CA LYS A 46 -8.925 -6.612 18.278 1.00 40.11 C ATOM 738 C LYS A 46 -9.075 -5.113 18.518 1.00 73.41 C ATOM 739 O LYS A 46 -9.560 -4.381 17.657 1.00 51.20 O ATOM 740 CB LYS A 46 -10.211 -7.341 18.679 1.00 2.14 C ATOM 741 CG LYS A 46 -11.383 -7.059 17.756 1.00 34.23 C ATOM 742 CD LYS A 46 -11.359 -7.957 16.528 1.00 13.22 C ATOM 743 CE LYS A 46 -12.397 -9.066 16.623 1.00 12.15 C ATOM 744 NZ LYS A 46 -12.414 -9.921 15.403 1.00 74.13 N ATOM 0 H LYS A 46 -8.037 -7.555 19.922 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.743 -6.777 17.216 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.021 -8.414 18.693 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.481 -7.051 19.694 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.317 -7.208 18.298 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.358 -6.015 17.444 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.545 -7.359 15.636 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -10.367 -8.395 16.417 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -12.188 -9.684 17.496 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.384 -8.627 16.772 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -13.135 -10.663 15.509 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -12.639 -9.337 14.573 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -11.480 -10.361 15.274 1.00 74.13 H new ATOM 758 N GLN A 47 -8.645 -4.664 19.693 1.00 52.34 N ATOM 759 CA GLN A 47 -8.722 -3.254 20.053 1.00 41.35 C ATOM 760 C GLN A 47 -7.877 -2.413 19.100 1.00 55.42 C ATOM 761 O GLN A 47 -8.360 -1.451 18.505 1.00 61.23 O ATOM 762 CB GLN A 47 -8.250 -3.059 21.501 1.00 50.34 C ATOM 763 CG GLN A 47 -7.888 -1.624 21.854 1.00 75.45 C ATOM 764 CD GLN A 47 -7.641 -1.431 23.339 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.555 -1.720 23.841 1.00 60.30 O ATOM 766 NE2 GLN A 47 -8.650 -0.940 24.046 1.00 24.34 N ATOM 0 H GLN A 47 -8.238 -5.260 20.414 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.758 -2.926 19.972 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.035 -3.400 22.176 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.382 -3.694 21.676 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -6.996 -1.332 21.300 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.692 -0.961 21.534 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -9.533 -0.715 23.587 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -8.543 -0.788 25.049 1.00 24.34 H new ATOM 775 N THR A 48 -6.609 -2.784 18.970 1.00 2.31 N ATOM 776 CA THR A 48 -5.683 -2.071 18.101 1.00 41.14 C ATOM 777 C THR A 48 -6.229 -1.944 16.680 1.00 32.32 C ATOM 778 O THR A 48 -6.216 -0.858 16.099 1.00 11.51 O ATOM 779 CB THR A 48 -4.329 -2.780 18.078 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.376 -2.012 17.358 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.383 -4.161 17.458 1.00 22.44 C ATOM 0 H THR A 48 -6.198 -3.579 19.459 1.00 2.31 H new ATOM 0 HA THR A 48 -5.559 -1.066 18.504 1.00 41.14 H new ATOM 0 HB THR A 48 -4.039 -2.888 19.123 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.515 -2.479 17.354 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.388 -4.606 17.474 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.071 -4.788 18.026 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.729 -4.084 16.427 1.00 22.44 H new ATOM 789 N MET A 49 -6.701 -3.053 16.119 1.00 63.31 N ATOM 790 CA MET A 49 -7.240 -3.050 14.764 1.00 24.21 C ATOM 791 C MET A 49 -8.525 -2.231 14.684 1.00 40.42 C ATOM 792 O MET A 49 -8.785 -1.567 13.683 1.00 5.35 O ATOM 793 CB MET A 49 -7.495 -4.480 14.278 1.00 25.43 C ATOM 794 CG MET A 49 -8.299 -5.326 15.251 1.00 13.45 C ATOM 795 SD MET A 49 -8.644 -6.975 14.604 1.00 74.20 S ATOM 796 CE MET A 49 -9.864 -6.602 13.350 1.00 41.13 C ATOM 0 H MET A 49 -6.721 -3.962 16.580 1.00 63.31 H new ATOM 0 HA MET A 49 -6.498 -2.587 14.114 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.022 -4.441 13.324 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.537 -4.967 14.093 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.752 -5.414 16.190 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.239 -4.822 15.476 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.367 -7.520 13.048 1.00 41.13 H new ATOM 0 HE2 MET A 49 -10.596 -5.902 13.752 1.00 41.13 H new ATOM 0 HE3 MET A 49 -9.372 -6.156 12.485 1.00 41.13 H new ATOM 806 N LEU A 50 -9.321 -2.275 15.748 1.00 10.12 N ATOM 807 CA LEU A 50 -10.570 -1.524 15.792 1.00 72.50 C ATOM 808 C LEU A 50 -10.301 -0.037 15.613 1.00 24.05 C ATOM 809 O LEU A 50 -11.092 0.680 15.011 1.00 31.33 O ATOM 810 CB LEU A 50 -11.297 -1.765 17.116 1.00 35.02 C ATOM 811 CG LEU A 50 -12.173 -3.019 17.162 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.837 -3.151 18.523 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.220 -2.980 16.059 1.00 64.03 C ATOM 0 H LEU A 50 -9.124 -2.820 16.587 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.204 -1.870 14.976 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.555 -1.830 17.912 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -11.921 -0.898 17.332 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.538 -3.890 17.001 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.457 -4.048 18.540 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.072 -3.224 19.296 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.459 -2.276 18.711 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.833 -3.880 16.108 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.853 -2.102 16.189 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.725 -2.930 15.089 1.00 64.03 H new ATOM 825 N ILE A 51 -9.173 0.417 16.141 1.00 21.21 N ATOM 826 CA ILE A 51 -8.792 1.818 16.038 1.00 51.32 C ATOM 827 C ILE A 51 -8.171 2.118 14.681 1.00 51.43 C ATOM 828 O ILE A 51 -8.391 3.184 14.106 1.00 23.00 O ATOM 829 CB ILE A 51 -7.798 2.200 17.151 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.417 1.918 18.523 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.385 3.662 17.025 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.537 2.315 19.686 1.00 32.24 C ATOM 0 H ILE A 51 -8.505 -0.166 16.646 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.699 2.411 16.151 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.899 1.592 17.046 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.365 2.451 18.599 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.642 0.854 18.597 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.683 3.912 17.820 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.910 3.824 16.057 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.267 4.298 17.107 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.045 2.084 20.622 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.598 1.763 19.637 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.332 3.385 19.639 1.00 32.24 H new ATOM 844 N ASN A 52 -7.390 1.173 14.181 1.00 53.30 N ATOM 845 CA ASN A 52 -6.723 1.327 12.898 1.00 52.52 C ATOM 846 C ASN A 52 -7.705 1.205 11.734 1.00 23.31 C ATOM 847 O ASN A 52 -7.609 1.941 10.754 1.00 63.50 O ATOM 848 CB ASN A 52 -5.623 0.278 12.761 1.00 74.33 C ATOM 849 CG ASN A 52 -4.399 0.611 13.593 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.076 1.782 13.798 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.713 -0.418 14.075 1.00 75.53 N ATOM 0 H ASN A 52 -7.202 0.286 14.648 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.288 2.326 12.863 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -6.012 -0.694 13.065 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.335 0.193 11.713 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.880 -0.255 14.641 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.018 -1.371 13.879 1.00 75.53 H new ATOM 858 N GLU A 53 -8.642 0.267 11.840 1.00 22.35 N ATOM 859 CA GLU A 53 -9.627 0.054 10.785 1.00 2.12 C ATOM 860 C GLU A 53 -10.740 1.098 10.837 1.00 0.01 C ATOM 861 O GLU A 53 -11.015 1.770 9.844 1.00 44.44 O ATOM 862 CB GLU A 53 -10.224 -1.351 10.887 1.00 54.44 C ATOM 863 CG GLU A 53 -10.974 -1.781 9.637 1.00 72.53 C ATOM 864 CD GLU A 53 -10.090 -2.513 8.648 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.216 -3.286 9.092 1.00 64.12 O ATOM 866 OE2 GLU A 53 -10.271 -2.313 7.428 1.00 3.25 O ATOM 0 H GLU A 53 -8.740 -0.355 12.642 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.112 0.157 9.830 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.424 -2.064 11.085 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.902 -1.388 11.739 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.806 -2.426 9.921 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.402 -0.902 9.155 1.00 72.53 H new ATOM 873 N LYS A 54 -11.381 1.232 11.995 1.00 2.21 N ATOM 874 CA LYS A 54 -12.462 2.200 12.153 1.00 51.31 C ATOM 875 C LYS A 54 -11.926 3.631 12.167 1.00 13.10 C ATOM 876 O LYS A 54 -12.698 4.590 12.135 1.00 20.24 O ATOM 877 CB LYS A 54 -13.260 1.928 13.429 1.00 24.31 C ATOM 878 CG LYS A 54 -14.281 0.811 13.281 1.00 71.11 C ATOM 879 CD LYS A 54 -13.715 -0.528 13.728 1.00 44.52 C ATOM 880 CE LYS A 54 -13.975 -1.616 12.698 1.00 52.22 C ATOM 881 NZ LYS A 54 -12.895 -2.642 12.685 1.00 54.31 N ATOM 0 H LYS A 54 -11.173 0.687 12.832 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.126 2.089 11.296 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.569 1.673 14.233 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.774 2.842 13.728 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.167 1.047 13.870 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.599 0.743 12.241 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.642 -0.433 13.895 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -14.162 -0.813 14.680 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.929 -2.097 12.912 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -14.059 -1.166 11.709 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -12.689 -2.917 11.703 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.037 -2.249 13.122 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.204 -3.478 13.221 1.00 54.31 H new ATOM 895 N LYS A 55 -10.602 3.773 12.215 1.00 43.42 N ATOM 896 CA LYS A 55 -9.976 5.091 12.229 1.00 74.11 C ATOM 897 C LYS A 55 -10.355 5.862 13.489 1.00 31.21 C ATOM 898 O LYS A 55 -10.946 6.940 13.415 1.00 5.25 O ATOM 899 CB LYS A 55 -10.378 5.883 10.984 1.00 72.23 C ATOM 900 CG LYS A 55 -10.043 5.178 9.679 1.00 12.00 C ATOM 901 CD LYS A 55 -8.709 5.645 9.116 1.00 1.15 C ATOM 902 CE LYS A 55 -7.698 4.510 9.062 1.00 24.22 C ATOM 903 NZ LYS A 55 -8.081 3.465 8.073 1.00 61.25 N ATOM 0 H LYS A 55 -9.945 2.993 12.245 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.895 4.953 12.226 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.450 6.077 11.018 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.878 6.851 11.003 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.012 4.101 9.844 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.832 5.366 8.951 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.857 6.049 8.115 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.316 6.454 9.732 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -6.718 4.910 8.804 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -7.608 4.058 10.050 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -8.116 2.538 8.543 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -9.016 3.688 7.677 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -7.378 3.438 7.307 1.00 61.25 H new ATOM 917 N LEU A 56 -10.005 5.307 14.644 1.00 30.41 N ATOM 918 CA LEU A 56 -10.303 5.945 15.919 1.00 52.41 C ATOM 919 C LEU A 56 -9.132 6.809 16.371 1.00 51.14 C ATOM 920 O LEU A 56 -8.146 6.960 15.650 1.00 44.51 O ATOM 921 CB LEU A 56 -10.628 4.886 16.977 1.00 75.54 C ATOM 922 CG LEU A 56 -11.921 4.101 16.733 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.141 3.076 17.833 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.106 5.049 16.644 1.00 14.14 C ATOM 0 H LEU A 56 -9.514 4.416 14.723 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.173 6.588 15.791 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.798 4.182 17.031 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.695 5.374 17.949 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.829 3.571 15.785 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.064 2.529 17.641 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.304 2.379 17.853 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.213 3.584 18.795 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -14.017 4.477 16.470 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.198 5.605 17.577 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.953 5.746 15.820 1.00 14.14 H new ATOM 936 N ASN A 57 -9.243 7.379 17.566 1.00 32.03 N ATOM 937 CA ASN A 57 -8.190 8.230 18.105 1.00 20.43 C ATOM 938 C ASN A 57 -8.205 8.211 19.630 1.00 1.23 C ATOM 939 O ASN A 57 -9.037 8.861 20.263 1.00 1.02 O ATOM 940 CB ASN A 57 -8.357 9.663 17.596 1.00 15.31 C ATOM 941 CG ASN A 57 -7.058 10.244 17.075 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.375 10.993 17.771 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.710 9.899 15.840 1.00 70.12 N ATOM 0 H ASN A 57 -10.051 7.267 18.179 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.230 7.842 17.766 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.104 9.679 16.802 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.735 10.291 18.403 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.846 10.259 15.434 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.307 9.275 15.298 1.00 70.12 H new ATOM 950 N MET A 58 -7.281 7.455 20.214 1.00 5.10 N ATOM 951 CA MET A 58 -7.184 7.339 21.665 1.00 4.22 C ATOM 952 C MET A 58 -6.886 8.688 22.318 1.00 4.32 C ATOM 953 O MET A 58 -7.027 8.840 23.531 1.00 31.45 O ATOM 954 CB MET A 58 -6.104 6.326 22.049 1.00 30.22 C ATOM 955 CG MET A 58 -4.770 6.566 21.359 1.00 34.55 C ATOM 956 SD MET A 58 -4.180 5.116 20.462 1.00 24.45 S ATOM 957 CE MET A 58 -5.515 4.881 19.292 1.00 24.34 C ATOM 0 H MET A 58 -6.586 6.911 19.702 1.00 5.10 H new ATOM 0 HA MET A 58 -8.150 6.992 22.031 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.956 6.357 23.128 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.455 5.323 21.804 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.869 7.402 20.666 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.028 6.855 22.103 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.420 3.902 18.823 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.470 4.942 19.813 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.469 5.656 18.527 1.00 24.34 H new ATOM 967 N MET A 59 -6.479 9.667 21.513 1.00 1.01 N ATOM 968 CA MET A 59 -6.171 10.995 22.030 1.00 74.53 C ATOM 969 C MET A 59 -7.450 11.797 22.262 1.00 71.54 C ATOM 970 O MET A 59 -7.416 12.879 22.849 1.00 44.32 O ATOM 971 CB MET A 59 -5.255 11.741 21.058 1.00 2.02 C ATOM 972 CG MET A 59 -4.224 12.622 21.746 1.00 24.22 C ATOM 973 SD MET A 59 -3.033 13.331 20.594 1.00 11.43 S ATOM 974 CE MET A 59 -2.572 11.883 19.644 1.00 3.04 C ATOM 0 H MET A 59 -6.356 9.565 20.506 1.00 1.01 H new ATOM 0 HA MET A 59 -5.658 10.879 22.985 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.739 11.016 20.429 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.865 12.358 20.398 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.735 13.427 22.275 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.693 12.035 22.495 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.585 12.034 19.207 1.00 3.04 H new ATOM 0 HE2 MET A 59 -2.551 11.011 20.297 1.00 3.04 H new ATOM 0 HE3 MET A 59 -3.300 11.723 18.849 1.00 3.04 H new ATOM 984 N ASN A 60 -8.578 11.258 21.805 1.00 72.24 N ATOM 985 CA ASN A 60 -9.867 11.917 21.971 1.00 13.25 C ATOM 986 C ASN A 60 -10.822 11.030 22.762 1.00 2.34 C ATOM 987 O ASN A 60 -11.063 9.879 22.395 1.00 73.54 O ATOM 988 CB ASN A 60 -10.472 12.253 20.605 1.00 54.23 C ATOM 989 CG ASN A 60 -11.102 13.631 20.574 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.873 14.411 19.650 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.904 13.939 21.587 1.00 43.22 N ATOM 0 H ASN A 60 -8.623 10.364 21.316 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.711 12.843 22.525 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.695 12.195 19.843 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.225 11.507 20.351 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.357 14.852 21.619 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.067 13.262 22.333 1.00 43.22 H new ATOM 998 N ALA A 61 -11.361 11.569 23.851 1.00 10.14 N ATOM 999 CA ALA A 61 -12.284 10.822 24.698 1.00 75.00 C ATOM 1000 C ALA A 61 -13.448 10.258 23.889 1.00 54.22 C ATOM 1001 O ALA A 61 -13.934 9.163 24.166 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.805 11.707 25.820 1.00 34.33 C ATOM 0 H ALA A 61 -11.174 12.520 24.168 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.737 9.984 25.130 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.493 11.136 26.444 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.969 12.056 26.426 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.327 12.564 25.395 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.890 11.012 22.887 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.001 10.592 22.038 1.00 72.21 C ATOM 1010 C GLU A 62 -14.750 9.214 21.430 1.00 14.54 C ATOM 1011 O GLU A 62 -15.646 8.370 21.390 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.229 11.616 20.924 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.656 11.641 20.400 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.479 12.766 20.999 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.878 13.742 21.495 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -18.724 12.669 20.974 1.00 1.12 O ATOM 0 H GLU A 62 -13.495 11.920 22.642 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.892 10.530 22.663 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.970 12.608 21.295 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.552 11.398 20.098 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.639 11.746 19.315 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.136 10.688 20.620 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.528 8.991 20.959 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.168 7.712 20.358 1.00 60.41 C ATOM 1025 C HIS A 63 -12.733 6.711 21.423 1.00 12.50 C ATOM 1026 O HIS A 63 -13.057 5.526 21.345 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.050 7.896 19.334 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.524 8.429 18.017 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.688 8.624 16.938 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.758 8.807 17.606 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.386 9.100 15.922 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.644 9.219 16.301 1.00 33.54 N ATOM 0 H HIS A 63 -12.773 9.676 20.981 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.051 7.321 19.853 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.302 8.575 19.743 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.556 6.938 19.172 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.663 8.788 18.195 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.993 9.349 14.947 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.408 9.562 15.719 1.00 33.54 H new ATOM 1040 N ARG A 64 -11.996 7.198 22.416 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.511 6.350 23.502 1.00 25.03 C ATOM 1042 C ARG A 64 -12.630 5.467 24.048 1.00 71.40 C ATOM 1043 O ARG A 64 -12.460 4.257 24.200 1.00 61.24 O ATOM 1044 CB ARG A 64 -10.939 7.214 24.626 1.00 40.44 C ATOM 1045 CG ARG A 64 -9.920 6.491 25.491 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.585 6.357 24.778 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.909 5.104 25.108 1.00 14.00 N ATOM 1048 CZ ARG A 64 -6.622 5.012 25.438 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -5.852 6.094 25.478 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.099 3.828 25.724 1.00 33.54 N ATOM 0 H ARG A 64 -11.721 8.177 22.492 1.00 13.31 H new ATOM 0 HA ARG A 64 -10.726 5.706 23.105 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.472 8.098 24.192 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.757 7.563 25.257 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.782 7.035 26.426 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.297 5.502 25.750 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.743 6.411 23.701 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -7.944 7.196 25.048 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.458 4.245 25.084 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -6.245 7.008 25.255 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -4.868 6.010 25.732 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.682 2.992 25.691 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -5.114 3.753 25.977 1.00 33.54 H new ATOM 1064 N LYS A 65 -13.772 6.081 24.335 1.00 13.21 N ATOM 1065 CA LYS A 65 -14.920 5.351 24.860 1.00 31.33 C ATOM 1066 C LYS A 65 -15.460 4.372 23.824 1.00 61.24 C ATOM 1067 O LYS A 65 -16.056 3.353 24.170 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.025 6.320 25.288 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.413 7.320 24.209 1.00 2.34 C ATOM 1070 CD LYS A 65 -17.888 7.687 24.290 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.079 9.163 24.608 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.484 9.472 24.990 1.00 60.30 N ATOM 0 H LYS A 65 -13.928 7.082 24.213 1.00 13.21 H new ATOM 0 HA LYS A 65 -14.589 4.787 25.732 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -16.907 5.748 25.575 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.696 6.864 26.174 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -15.807 8.220 24.312 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.195 6.900 23.227 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.375 7.452 23.344 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.373 7.083 25.057 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.411 9.449 25.421 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.799 9.760 23.740 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.572 10.487 25.199 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.120 9.224 24.205 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -19.744 8.922 25.833 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.247 4.685 22.546 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.713 3.826 21.466 1.00 65.44 C ATOM 1088 C LEU A 66 -15.184 2.406 21.640 1.00 64.34 C ATOM 1089 O LEU A 66 -15.925 1.436 21.485 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.288 4.389 20.108 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.369 4.329 19.024 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.890 5.722 18.708 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.836 3.658 17.765 1.00 64.02 C ATOM 0 H LEU A 66 -14.756 5.524 22.237 1.00 15.23 H new ATOM 0 HA LEU A 66 -16.802 3.795 21.503 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -14.982 5.427 20.240 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.413 3.840 19.760 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.197 3.731 19.404 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.657 5.657 17.936 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.318 6.163 19.608 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.069 6.346 18.353 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.621 3.627 17.009 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -14.987 4.224 17.383 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.518 2.642 18.001 1.00 64.02 H new ATOM 1105 N LEU A 67 -13.901 2.291 21.976 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.288 0.986 22.187 1.00 22.20 C ATOM 1107 C LEU A 67 -13.975 0.274 23.344 1.00 1.33 C ATOM 1108 O LEU A 67 -14.312 -0.906 23.251 1.00 4.11 O ATOM 1109 CB LEU A 67 -11.792 1.128 22.471 1.00 1.32 C ATOM 1110 CG LEU A 67 -10.880 0.440 21.458 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -11.161 -1.053 21.419 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.070 1.047 20.080 1.00 25.32 C ATOM 0 H LEU A 67 -13.271 3.082 22.107 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.408 0.395 21.279 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.542 2.188 22.503 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.584 0.722 23.461 1.00 1.32 H new ATOM 0 HG LEU A 67 -9.845 0.590 21.766 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.503 -1.528 20.692 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -10.983 -1.483 22.405 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -12.199 -1.220 21.132 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.413 0.547 19.368 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -12.107 0.922 19.767 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -10.827 2.109 20.113 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.197 1.012 24.427 1.00 45.01 N ATOM 1125 CA GLU A 68 -14.865 0.462 25.597 1.00 31.11 C ATOM 1126 C GLU A 68 -16.245 -0.071 25.213 1.00 33.44 C ATOM 1127 O GLU A 68 -16.811 -0.916 25.905 1.00 63.34 O ATOM 1128 CB GLU A 68 -14.990 1.531 26.686 1.00 31.53 C ATOM 1129 CG GLU A 68 -15.759 1.072 27.914 1.00 52.31 C ATOM 1130 CD GLU A 68 -15.394 1.860 29.156 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -15.585 3.094 29.154 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -14.916 1.243 30.131 1.00 60.33 O ATOM 0 H GLU A 68 -13.924 1.991 24.517 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.269 -0.363 25.987 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -13.991 1.844 26.991 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -15.484 2.407 26.266 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.828 1.170 27.727 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.562 0.014 28.088 1.00 52.31 H new ATOM 1139 N GLN A 69 -16.768 0.428 24.096 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.072 0.005 23.599 1.00 31.33 C ATOM 1141 C GLN A 69 -17.959 -1.322 22.856 1.00 54.04 C ATOM 1142 O GLN A 69 -18.714 -2.259 23.116 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.648 1.073 22.667 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.164 1.034 22.560 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.847 1.314 23.884 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -20.541 2.297 24.559 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.781 0.449 24.263 1.00 70.13 N ATOM 0 H GLN A 69 -16.306 1.129 23.517 1.00 45.54 H new ATOM 0 HA GLN A 69 -18.739 -0.128 24.451 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.342 2.057 23.023 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.219 0.946 21.673 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.492 1.768 21.823 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.474 0.055 22.195 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -22.003 -0.353 23.673 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.276 0.586 25.144 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.014 -1.391 21.923 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.801 -2.597 21.132 1.00 33.15 C ATOM 1158 C GLU A 70 -16.311 -3.755 21.997 1.00 4.01 C ATOM 1159 O GLU A 70 -16.512 -4.921 21.656 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.789 -2.327 20.016 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.362 -1.534 18.852 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.118 -2.407 17.869 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -18.151 -2.988 18.262 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -16.676 -2.508 16.705 1.00 22.20 O ATOM 0 H GLU A 70 -16.382 -0.623 21.696 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.760 -2.878 20.696 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.940 -1.784 20.431 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.409 -3.278 19.644 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.030 -0.763 19.236 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.552 -1.024 18.331 1.00 12.23 H new ATOM 1171 N MET A 71 -15.665 -3.434 23.115 1.00 72.11 N ATOM 1172 CA MET A 71 -15.152 -4.464 24.012 1.00 42.11 C ATOM 1173 C MET A 71 -16.276 -5.374 24.498 1.00 0.22 C ATOM 1174 O MET A 71 -16.076 -6.574 24.690 1.00 15.12 O ATOM 1175 CB MET A 71 -14.399 -3.834 25.193 1.00 44.14 C ATOM 1176 CG MET A 71 -15.249 -3.602 26.434 1.00 2.34 C ATOM 1177 SD MET A 71 -14.505 -2.423 27.578 1.00 23.31 S ATOM 1178 CE MET A 71 -12.797 -2.965 27.593 1.00 23.35 C ATOM 0 H MET A 71 -15.486 -2.477 23.419 1.00 72.11 H new ATOM 0 HA MET A 71 -14.445 -5.078 23.454 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.561 -4.478 25.458 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.979 -2.880 24.872 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.232 -3.239 26.133 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.403 -4.552 26.947 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.338 -2.694 28.543 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.757 -4.047 27.467 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.256 -2.485 26.778 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.466 -4.805 24.678 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.616 -5.583 25.118 1.00 11.44 C ATOM 1190 C VAL A 72 -18.962 -6.628 24.069 1.00 55.10 C ATOM 1191 O VAL A 72 -18.948 -7.826 24.336 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.852 -4.688 25.369 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.088 -5.518 25.706 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.563 -3.694 26.476 1.00 54.21 C ATOM 0 H VAL A 72 -17.656 -3.814 24.526 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.347 -6.065 26.058 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.062 -4.144 24.448 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.936 -4.855 25.876 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.312 -6.189 24.877 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.899 -6.103 26.606 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.441 -3.070 26.643 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.320 -4.231 27.393 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.720 -3.065 26.189 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.268 -6.158 22.868 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.616 -7.040 21.758 1.00 33.53 C ATOM 1206 C ASN A 73 -18.607 -8.181 21.610 1.00 45.13 C ATOM 1207 O ASN A 73 -18.915 -9.220 21.026 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.689 -6.240 20.458 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.265 -7.043 19.310 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.297 -7.699 19.452 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -19.599 -6.995 18.162 1.00 43.31 N ATOM 0 H ASN A 73 -19.283 -5.165 22.635 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.591 -7.478 21.972 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.300 -5.351 20.617 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.690 -5.897 20.191 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -19.939 -7.515 17.353 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -18.748 -6.438 18.089 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.399 -7.978 22.132 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.351 -8.988 22.046 1.00 43.41 C ATOM 1220 C PHE A 74 -16.330 -9.885 23.281 1.00 53.44 C ATOM 1221 O PHE A 74 -16.343 -11.109 23.168 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.984 -8.316 21.875 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.860 -9.277 21.584 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.490 -10.242 22.509 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.169 -9.209 20.384 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.457 -11.120 22.244 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.134 -10.086 20.115 1.00 32.35 C ATOM 1228 CZ PHE A 74 -11.779 -11.042 21.044 1.00 14.42 C ATOM 0 H PHE A 74 -17.124 -7.124 22.618 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.565 -9.612 21.178 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.046 -7.590 21.064 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.748 -7.761 22.783 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.017 -10.308 23.449 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -13.442 -8.463 19.652 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -12.180 -11.866 22.974 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.603 -10.022 19.177 1.00 32.35 H new ATOM 0 HZ PHE A 74 -10.972 -11.728 20.833 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.261 -9.273 24.458 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.194 -10.027 25.707 1.00 13.42 C ATOM 1240 C LEU A 75 -17.532 -10.077 26.442 1.00 31.53 C ATOM 1241 O LEU A 75 -17.894 -11.105 27.013 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.136 -9.408 26.619 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.796 -9.109 25.943 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.239 -7.780 26.423 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.802 -10.235 26.199 1.00 74.13 C ATOM 0 H LEU A 75 -16.250 -8.260 24.575 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.929 -11.053 25.450 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.532 -8.481 27.033 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.961 -10.082 27.457 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.963 -9.040 24.868 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.286 -7.586 25.931 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.942 -6.982 26.181 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.089 -7.817 27.502 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.856 -10.003 25.710 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.640 -10.340 27.272 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.198 -11.168 25.799 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.256 -8.966 26.438 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.544 -8.892 27.120 1.00 61.03 C ATOM 1259 C PHE A 76 -20.701 -9.010 26.144 1.00 53.21 C ATOM 1260 O PHE A 76 -21.780 -8.467 26.374 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.668 -7.581 27.863 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.616 -7.390 28.909 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.396 -8.364 29.868 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.846 -6.241 28.930 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.425 -8.194 30.833 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.873 -6.065 29.892 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.664 -7.043 30.844 1.00 10.35 C ATOM 0 H PHE A 76 -17.975 -8.104 25.971 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.588 -9.727 27.819 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.613 -6.760 27.148 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.650 -7.529 28.332 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.990 -9.266 29.861 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -18.008 -5.475 28.186 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -17.261 -8.959 31.577 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -16.276 -5.165 29.900 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.903 -6.907 31.599 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.458 -9.709 25.057 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.461 -9.909 24.017 1.00 1.24 C ATOM 1279 C GLU A 77 -22.613 -10.764 24.536 1.00 64.35 C ATOM 1280 O GLU A 77 -22.906 -11.835 24.004 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.831 -10.570 22.789 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.498 -10.188 21.480 1.00 55.43 C ATOM 1283 CD GLU A 77 -20.926 -10.935 20.291 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -20.812 -12.176 20.368 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -20.590 -10.279 19.282 1.00 30.04 O ATOM 0 H GLU A 77 -19.562 -10.157 24.863 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.854 -8.933 23.731 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.777 -10.298 22.742 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.876 -11.653 22.907 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.567 -10.389 21.550 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.385 -9.116 21.319 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.257 -10.271 25.579 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.373 -10.965 26.184 1.00 62.55 C ATOM 1294 C GLY A 78 -25.195 -10.024 27.036 1.00 72.21 C ATOM 1295 O GLY A 78 -26.425 -10.058 27.011 1.00 64.15 O ATOM 0 H GLY A 78 -23.021 -9.385 26.026 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.001 -11.400 25.406 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -24.006 -11.789 26.796 1.00 62.55 H new