USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 599 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 64 LYS NZ :NH3+ 152:sc= 2.02 (180deg=1.87) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.801 K(o=1.2,f=0.12) USER MOD Set 2.1: A 56 MET CE :methyl -128:sc= -2.68! (180deg=-6.01!) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= -0.0195 USER MOD Set 3.1: A 43 SER OG : rot 180:sc=-0.00417 USER MOD Set 3.2: A 47 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.35) USER MOD Set 4.1: A 37 GLN : amide:sc= 0.115 X(o=-0.4,f=-0.86) USER MOD Set 4.2: A 38 GLN : amide:sc= -0.519 K(o=-0.4,f=-5.2!) USER MOD Single : A 21 TYR OH : rot 35:sc= 1.16 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 23 GLN : amide:sc= -0.917 K(o=-0.92,f=-0.4) USER MOD Single : A 30 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.6!) USER MOD Single : A 33 ASN : amide:sc= 0.889 K(o=0.89,f=-0.3) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00057 USER MOD Single : A 40 HIS : no HD1:sc=-0.00367 K(o=-0.0037,f=-3.1!) USER MOD Single : A 44 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.42) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 85 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.49) USER MOD Single : A 87 MET CE :methyl 150:sc= 0 (180deg=-0.762) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.016 2.074 -4.622 1.00 12.52 N ATOM 69 CA ALA A 18 8.509 0.877 -3.929 1.00 3.10 C ATOM 70 C ALA A 18 8.096 -0.397 -4.689 1.00 73.41 C ATOM 71 O ALA A 18 8.651 -1.457 -4.481 1.00 12.22 O ATOM 72 CB ALA A 18 8.044 0.837 -2.485 1.00 2.04 C ATOM 0 HA ALA A 18 9.598 0.923 -3.912 1.00 3.10 H new ATOM 0 HB1 ALA A 18 8.428 -0.063 -2.004 1.00 2.04 H new ATOM 0 HB2 ALA A 18 8.415 1.716 -1.959 1.00 2.04 H new ATOM 0 HB3 ALA A 18 6.954 0.828 -2.454 1.00 2.04 H new ATOM 78 N ALA A 19 7.119 -0.260 -5.596 1.00 35.20 N ATOM 79 CA ALA A 19 6.699 -1.344 -6.481 1.00 34.21 C ATOM 80 C ALA A 19 7.835 -1.722 -7.451 1.00 1.25 C ATOM 81 O ALA A 19 7.845 -2.817 -8.016 1.00 22.22 O ATOM 82 CB ALA A 19 5.451 -0.948 -7.256 1.00 55.51 C ATOM 0 H ALA A 19 6.600 0.608 -5.733 1.00 35.20 H new ATOM 0 HA ALA A 19 6.464 -2.214 -5.868 1.00 34.21 H new ATOM 0 HB1 ALA A 19 5.153 -1.768 -7.910 1.00 55.51 H new ATOM 0 HB2 ALA A 19 4.643 -0.729 -6.558 1.00 55.51 H new ATOM 0 HB3 ALA A 19 5.661 -0.063 -7.857 1.00 55.51 H new ATOM 88 N ASP A 20 8.797 -0.800 -7.627 1.00 20.31 N ATOM 89 CA ASP A 20 9.982 -1.020 -8.478 1.00 12.03 C ATOM 90 C ASP A 20 10.755 -2.237 -7.910 1.00 20.30 C ATOM 91 O ASP A 20 11.257 -3.069 -8.644 1.00 15.04 O ATOM 92 CB ASP A 20 10.855 0.259 -8.474 1.00 1.21 C ATOM 93 CG ASP A 20 11.960 0.332 -9.525 1.00 52.15 C ATOM 94 OD1 ASP A 20 11.657 0.631 -10.718 1.00 23.20 O ATOM 95 OD2 ASP A 20 13.123 0.228 -9.163 1.00 34.12 O ATOM 0 H ASP A 20 8.776 0.119 -7.184 1.00 20.31 H new ATOM 0 HA ASP A 20 9.699 -1.227 -9.510 1.00 12.03 H new ATOM 0 HB2 ASP A 20 10.200 1.120 -8.607 1.00 1.21 H new ATOM 0 HB3 ASP A 20 11.313 0.356 -7.490 1.00 1.21 H new ATOM 100 N TYR A 21 10.717 -2.370 -6.562 1.00 0.22 N ATOM 101 CA TYR A 21 11.283 -3.521 -5.820 1.00 73.42 C ATOM 102 C TYR A 21 10.643 -4.838 -6.274 1.00 2.21 C ATOM 103 O TYR A 21 11.315 -5.870 -6.361 1.00 51.33 O ATOM 104 CB TYR A 21 11.077 -3.318 -4.284 1.00 3.15 C ATOM 105 CG TYR A 21 10.991 -4.607 -3.493 1.00 72.15 C ATOM 106 CD1 TYR A 21 12.103 -5.397 -3.282 1.00 21.20 C ATOM 107 CD2 TYR A 21 9.766 -5.058 -3.013 1.00 32.24 C ATOM 108 CE1 TYR A 21 12.000 -6.592 -2.613 1.00 33.54 C ATOM 109 CE2 TYR A 21 9.657 -6.259 -2.354 1.00 13.10 C ATOM 110 CZ TYR A 21 10.778 -7.026 -2.153 1.00 4.03 C ATOM 111 OH TYR A 21 10.662 -8.251 -1.524 1.00 41.03 O ATOM 0 H TYR A 21 10.288 -1.673 -5.953 1.00 0.22 H new ATOM 0 HA TYR A 21 12.351 -3.576 -6.033 1.00 73.42 H new ATOM 0 HB2 TYR A 21 11.901 -2.720 -3.894 1.00 3.15 H new ATOM 0 HB3 TYR A 21 10.164 -2.745 -4.124 1.00 3.15 H new ATOM 0 HD1 TYR A 21 13.066 -5.071 -3.647 1.00 21.20 H new ATOM 0 HD2 TYR A 21 8.884 -4.453 -3.161 1.00 32.24 H new ATOM 0 HE1 TYR A 21 12.882 -7.193 -2.447 1.00 33.54 H new ATOM 0 HE2 TYR A 21 8.696 -6.597 -1.996 1.00 13.10 H new ATOM 0 HH TYR A 21 11.467 -8.424 -0.993 1.00 41.03 H new ATOM 121 N GLN A 22 9.363 -4.803 -6.576 1.00 41.41 N ATOM 122 CA GLN A 22 8.660 -6.003 -7.010 1.00 33.32 C ATOM 123 C GLN A 22 9.212 -6.469 -8.351 1.00 42.03 C ATOM 124 O GLN A 22 9.488 -7.652 -8.543 1.00 52.42 O ATOM 125 CB GLN A 22 7.150 -5.767 -7.075 1.00 24.20 C ATOM 126 CG GLN A 22 6.534 -5.422 -5.725 1.00 41.01 C ATOM 127 CD GLN A 22 5.045 -5.160 -5.804 1.00 31.15 C ATOM 128 OE1 GLN A 22 4.610 -4.036 -6.001 1.00 42.35 O ATOM 129 NE2 GLN A 22 4.256 -6.193 -5.654 1.00 2.44 N ATOM 0 H GLN A 22 8.785 -3.964 -6.531 1.00 41.41 H new ATOM 0 HA GLN A 22 8.827 -6.792 -6.276 1.00 33.32 H new ATOM 0 HB2 GLN A 22 6.946 -4.958 -7.777 1.00 24.20 H new ATOM 0 HB3 GLN A 22 6.666 -6.661 -7.469 1.00 24.20 H new ATOM 0 HG2 GLN A 22 6.717 -6.240 -5.029 1.00 41.01 H new ATOM 0 HG3 GLN A 22 7.031 -4.541 -5.319 1.00 41.01 H new ATOM 0 HE21 GLN A 22 4.653 -7.118 -5.491 1.00 2.44 H new ATOM 0 HE22 GLN A 22 3.244 -6.073 -5.700 1.00 2.44 H new ATOM 138 N GLN A 23 9.443 -5.518 -9.236 1.00 0.42 N ATOM 139 CA GLN A 23 10.032 -5.799 -10.535 1.00 32.44 C ATOM 140 C GLN A 23 11.503 -6.169 -10.412 1.00 64.41 C ATOM 141 O GLN A 23 12.018 -6.935 -11.218 1.00 32.41 O ATOM 142 CB GLN A 23 9.835 -4.630 -11.496 1.00 53.03 C ATOM 143 CG GLN A 23 8.448 -4.569 -12.112 1.00 35.24 C ATOM 144 CD GLN A 23 8.194 -5.763 -13.018 1.00 33.43 C ATOM 145 OE1 GLN A 23 8.500 -5.719 -14.201 1.00 72.11 O ATOM 146 NE2 GLN A 23 7.648 -6.823 -12.477 1.00 5.03 N ATOM 0 H GLN A 23 9.230 -4.533 -9.078 1.00 0.42 H new ATOM 0 HA GLN A 23 9.511 -6.662 -10.950 1.00 32.44 H new ATOM 0 HB2 GLN A 23 10.027 -3.698 -10.964 1.00 53.03 H new ATOM 0 HB3 GLN A 23 10.574 -4.700 -12.294 1.00 53.03 H new ATOM 0 HG2 GLN A 23 7.698 -4.543 -11.322 1.00 35.24 H new ATOM 0 HG3 GLN A 23 8.342 -3.647 -12.683 1.00 35.24 H new ATOM 0 HE21 GLN A 23 7.406 -6.823 -11.486 1.00 5.03 H new ATOM 0 HE22 GLN A 23 7.464 -7.649 -13.046 1.00 5.03 H new ATOM 155 N LEU A 24 12.160 -5.611 -9.409 1.00 31.14 N ATOM 156 CA LEU A 24 13.554 -5.918 -9.076 1.00 53.11 C ATOM 157 C LEU A 24 13.624 -7.407 -8.732 1.00 40.12 C ATOM 158 O LEU A 24 14.320 -8.173 -9.387 1.00 33.21 O ATOM 159 CB LEU A 24 13.952 -5.061 -7.835 1.00 13.31 C ATOM 160 CG LEU A 24 15.446 -4.831 -7.495 1.00 11.42 C ATOM 161 CD1 LEU A 24 15.549 -3.914 -6.293 1.00 31.43 C ATOM 162 CD2 LEU A 24 16.184 -6.119 -7.193 1.00 12.01 C ATOM 0 H LEU A 24 11.739 -4.919 -8.789 1.00 31.14 H new ATOM 0 HA LEU A 24 14.230 -5.695 -9.901 1.00 53.11 H new ATOM 0 HB2 LEU A 24 13.494 -4.080 -7.959 1.00 13.31 H new ATOM 0 HB3 LEU A 24 13.489 -5.521 -6.962 1.00 13.31 H new ATOM 0 HG LEU A 24 15.911 -4.384 -8.374 1.00 11.42 H new ATOM 0 HD11 LEU A 24 16.599 -3.749 -6.050 1.00 31.43 H new ATOM 0 HD12 LEU A 24 15.075 -2.959 -6.522 1.00 31.43 H new ATOM 0 HD13 LEU A 24 15.047 -4.373 -5.441 1.00 31.43 H new ATOM 0 HD21 LEU A 24 17.226 -5.896 -6.962 1.00 12.01 H new ATOM 0 HD22 LEU A 24 15.720 -6.612 -6.339 1.00 12.01 H new ATOM 0 HD23 LEU A 24 16.138 -6.777 -8.061 1.00 12.01 H new ATOM 174 N ARG A 25 12.832 -7.791 -7.737 1.00 35.43 N ATOM 175 CA ARG A 25 12.752 -9.130 -7.207 1.00 32.32 C ATOM 176 C ARG A 25 12.481 -10.153 -8.326 1.00 33.30 C ATOM 177 O ARG A 25 13.110 -11.207 -8.390 1.00 63.21 O ATOM 178 CB ARG A 25 11.608 -9.147 -6.198 1.00 15.11 C ATOM 179 CG ARG A 25 11.691 -10.244 -5.193 1.00 14.41 C ATOM 180 CD ARG A 25 10.503 -10.220 -4.237 1.00 35.42 C ATOM 181 NE ARG A 25 10.681 -11.134 -3.102 1.00 23.35 N ATOM 182 CZ ARG A 25 10.480 -12.456 -3.103 1.00 34.32 C ATOM 183 NH1 ARG A 25 10.083 -13.089 -4.206 1.00 2.20 N ATOM 184 NH2 ARG A 25 10.679 -13.134 -1.992 1.00 44.14 N ATOM 0 H ARG A 25 12.204 -7.142 -7.263 1.00 35.43 H new ATOM 0 HA ARG A 25 13.697 -9.405 -6.738 1.00 32.32 H new ATOM 0 HB2 ARG A 25 11.587 -8.191 -5.674 1.00 15.11 H new ATOM 0 HB3 ARG A 25 10.665 -9.235 -6.737 1.00 15.11 H new ATOM 0 HG2 ARG A 25 11.727 -11.206 -5.705 1.00 14.41 H new ATOM 0 HG3 ARG A 25 12.617 -10.150 -4.626 1.00 14.41 H new ATOM 0 HD2 ARG A 25 10.360 -9.206 -3.864 1.00 35.42 H new ATOM 0 HD3 ARG A 25 9.597 -10.491 -4.780 1.00 35.42 H new ATOM 0 HE ARG A 25 10.989 -10.718 -2.223 1.00 23.35 H new ATOM 0 HH11 ARG A 25 9.928 -12.565 -5.067 1.00 2.20 H new ATOM 0 HH12 ARG A 25 9.934 -14.098 -4.189 1.00 2.20 H new ATOM 0 HH21 ARG A 25 10.982 -12.650 -1.147 1.00 44.14 H new ATOM 0 HH22 ARG A 25 10.530 -14.143 -1.977 1.00 44.14 H new ATOM 198 N GLU A 26 11.563 -9.804 -9.201 1.00 33.43 N ATOM 199 CA GLU A 26 11.155 -10.623 -10.305 1.00 51.53 C ATOM 200 C GLU A 26 12.277 -10.732 -11.358 1.00 11.02 C ATOM 201 O GLU A 26 12.504 -11.798 -11.942 1.00 32.43 O ATOM 202 CB GLU A 26 9.934 -9.964 -10.916 1.00 35.33 C ATOM 203 CG GLU A 26 9.280 -10.735 -12.014 1.00 33.13 C ATOM 204 CD GLU A 26 8.179 -9.939 -12.658 1.00 44.55 C ATOM 205 OE1 GLU A 26 7.094 -9.868 -12.103 1.00 15.15 O ATOM 206 OE2 GLU A 26 8.439 -9.313 -13.718 1.00 22.20 O ATOM 0 H GLU A 26 11.069 -8.913 -9.156 1.00 33.43 H new ATOM 0 HA GLU A 26 10.932 -11.634 -9.964 1.00 51.53 H new ATOM 0 HB2 GLU A 26 9.201 -9.792 -10.128 1.00 35.33 H new ATOM 0 HB3 GLU A 26 10.223 -8.986 -11.302 1.00 35.33 H new ATOM 0 HG2 GLU A 26 10.023 -11.006 -12.764 1.00 33.13 H new ATOM 0 HG3 GLU A 26 8.875 -11.666 -11.617 1.00 33.13 H new ATOM 213 N ARG A 27 12.984 -9.634 -11.569 1.00 72.44 N ATOM 214 CA ARG A 27 13.996 -9.533 -12.564 1.00 31.44 C ATOM 215 C ARG A 27 15.185 -10.423 -12.283 1.00 3.03 C ATOM 216 O ARG A 27 15.718 -11.024 -13.209 1.00 51.11 O ATOM 217 CB ARG A 27 14.429 -8.125 -12.677 1.00 31.54 C ATOM 218 CG ARG A 27 14.713 -7.718 -14.086 1.00 12.52 C ATOM 219 CD ARG A 27 13.431 -7.438 -14.902 1.00 52.45 C ATOM 220 NE ARG A 27 12.604 -8.634 -15.184 1.00 72.13 N ATOM 221 CZ ARG A 27 11.295 -8.769 -14.840 1.00 51.24 C ATOM 222 NH1 ARG A 27 10.712 -7.887 -14.049 1.00 43.34 N ATOM 223 NH2 ARG A 27 10.582 -9.807 -15.260 1.00 54.22 N ATOM 0 H ARG A 27 12.854 -8.777 -11.031 1.00 72.44 H new ATOM 0 HA ARG A 27 13.567 -9.875 -13.506 1.00 31.44 H new ATOM 0 HB2 ARG A 27 13.655 -7.477 -12.266 1.00 31.54 H new ATOM 0 HB3 ARG A 27 15.324 -7.975 -12.073 1.00 31.54 H new ATOM 0 HG2 ARG A 27 15.337 -6.824 -14.082 1.00 12.52 H new ATOM 0 HG3 ARG A 27 15.286 -8.504 -14.577 1.00 12.52 H new ATOM 0 HD2 ARG A 27 12.824 -6.712 -14.361 1.00 52.45 H new ATOM 0 HD3 ARG A 27 13.712 -6.976 -15.848 1.00 52.45 H new ATOM 0 HE ARG A 27 13.048 -9.412 -15.671 1.00 72.13 H new ATOM 0 HH11 ARG A 27 11.244 -7.094 -13.689 1.00 43.34 H new ATOM 0 HH12 ARG A 27 9.730 -7.998 -13.798 1.00 43.34 H new ATOM 0 HH21 ARG A 27 11.015 -10.518 -15.850 1.00 54.22 H new ATOM 0 HH22 ARG A 27 9.601 -9.894 -14.993 1.00 54.22 H new ATOM 237 N LEU A 28 15.603 -10.530 -11.015 1.00 42.23 N ATOM 238 CA LEU A 28 16.709 -11.443 -10.685 1.00 34.11 C ATOM 239 C LEU A 28 16.327 -12.858 -11.042 1.00 31.14 C ATOM 240 O LEU A 28 17.109 -13.588 -11.599 1.00 13.13 O ATOM 241 CB LEU A 28 17.163 -11.384 -9.205 1.00 25.10 C ATOM 242 CG LEU A 28 18.009 -10.176 -8.762 1.00 42.44 C ATOM 243 CD1 LEU A 28 17.216 -8.912 -8.752 1.00 72.54 C ATOM 244 CD2 LEU A 28 18.638 -10.425 -7.405 1.00 65.21 C ATOM 0 H LEU A 28 15.210 -10.017 -10.225 1.00 42.23 H new ATOM 0 HA LEU A 28 17.561 -11.108 -11.277 1.00 34.11 H new ATOM 0 HB2 LEU A 28 16.271 -11.416 -8.579 1.00 25.10 H new ATOM 0 HB3 LEU A 28 17.733 -12.288 -8.993 1.00 25.10 H new ATOM 0 HG LEU A 28 18.805 -10.054 -9.496 1.00 42.44 H new ATOM 0 HD11 LEU A 28 17.852 -8.086 -8.434 1.00 72.54 H new ATOM 0 HD12 LEU A 28 16.837 -8.712 -9.754 1.00 72.54 H new ATOM 0 HD13 LEU A 28 16.379 -9.013 -8.061 1.00 72.54 H new ATOM 0 HD21 LEU A 28 19.230 -9.558 -7.114 1.00 65.21 H new ATOM 0 HD22 LEU A 28 17.855 -10.594 -6.666 1.00 65.21 H new ATOM 0 HD23 LEU A 28 19.282 -11.303 -7.458 1.00 65.21 H new ATOM 256 N ILE A 29 15.082 -13.196 -10.779 1.00 14.00 N ATOM 257 CA ILE A 29 14.513 -14.521 -11.069 1.00 41.53 C ATOM 258 C ILE A 29 14.657 -14.917 -12.531 1.00 73.34 C ATOM 259 O ILE A 29 14.859 -16.084 -12.848 1.00 40.13 O ATOM 260 CB ILE A 29 13.023 -14.585 -10.574 1.00 1.44 C ATOM 261 CG1 ILE A 29 12.966 -15.128 -9.161 1.00 1.01 C ATOM 262 CG2 ILE A 29 12.085 -15.362 -11.497 1.00 23.31 C ATOM 263 CD1 ILE A 29 13.885 -14.436 -8.205 1.00 61.42 C ATOM 0 H ILE A 29 14.415 -12.555 -10.350 1.00 14.00 H new ATOM 0 HA ILE A 29 15.089 -15.262 -10.515 1.00 41.53 H new ATOM 0 HB ILE A 29 12.655 -13.559 -10.591 1.00 1.44 H new ATOM 0 HG12 ILE A 29 11.944 -15.044 -8.792 1.00 1.01 H new ATOM 0 HG13 ILE A 29 13.212 -16.190 -9.181 1.00 1.01 H new ATOM 0 HG21 ILE A 29 11.078 -15.356 -11.080 1.00 23.31 H new ATOM 0 HG22 ILE A 29 12.073 -14.894 -12.481 1.00 23.31 H new ATOM 0 HG23 ILE A 29 12.434 -16.391 -11.588 1.00 23.31 H new ATOM 0 HD11 ILE A 29 13.785 -14.883 -7.216 1.00 61.42 H new ATOM 0 HD12 ILE A 29 14.914 -14.542 -8.548 1.00 61.42 H new ATOM 0 HD13 ILE A 29 13.627 -13.378 -8.153 1.00 61.42 H new ATOM 275 N GLN A 30 14.633 -13.934 -13.392 1.00 11.10 N ATOM 276 CA GLN A 30 14.735 -14.160 -14.818 1.00 51.41 C ATOM 277 C GLN A 30 16.143 -14.642 -15.146 1.00 44.51 C ATOM 278 O GLN A 30 16.331 -15.551 -15.937 1.00 32.24 O ATOM 279 CB GLN A 30 14.489 -12.856 -15.553 1.00 32.40 C ATOM 280 CG GLN A 30 13.263 -12.085 -15.081 1.00 12.20 C ATOM 281 CD GLN A 30 11.947 -12.745 -15.409 1.00 34.23 C ATOM 282 OE1 GLN A 30 11.382 -12.500 -16.460 1.00 15.40 O ATOM 283 NE2 GLN A 30 11.424 -13.512 -14.500 1.00 40.41 N ATOM 0 H GLN A 30 14.542 -12.953 -13.129 1.00 11.10 H new ATOM 0 HA GLN A 30 13.999 -14.905 -15.122 1.00 51.41 H new ATOM 0 HB2 GLN A 30 15.367 -12.220 -15.442 1.00 32.40 H new ATOM 0 HB3 GLN A 30 14.382 -13.068 -16.617 1.00 32.40 H new ATOM 0 HG2 GLN A 30 13.328 -11.949 -14.002 1.00 12.20 H new ATOM 0 HG3 GLN A 30 13.279 -11.092 -15.529 1.00 12.20 H new ATOM 0 HE21 GLN A 30 11.929 -13.693 -13.633 1.00 40.41 H new ATOM 0 HE22 GLN A 30 10.508 -13.933 -14.654 1.00 40.41 H new ATOM 292 N GLU A 31 17.118 -14.027 -14.498 1.00 13.32 N ATOM 293 CA GLU A 31 18.523 -14.346 -14.740 1.00 52.12 C ATOM 294 C GLU A 31 18.969 -15.546 -13.917 1.00 12.12 C ATOM 295 O GLU A 31 19.866 -16.282 -14.313 1.00 41.52 O ATOM 296 CB GLU A 31 19.409 -13.140 -14.423 1.00 33.23 C ATOM 297 CG GLU A 31 18.942 -11.878 -15.105 1.00 43.52 C ATOM 298 CD GLU A 31 19.900 -10.726 -14.973 1.00 25.20 C ATOM 299 OE1 GLU A 31 20.843 -10.611 -15.800 1.00 52.04 O ATOM 300 OE2 GLU A 31 19.730 -9.892 -14.080 1.00 54.44 O ATOM 0 H GLU A 31 16.966 -13.301 -13.798 1.00 13.32 H new ATOM 0 HA GLU A 31 18.626 -14.598 -15.795 1.00 52.12 H new ATOM 0 HB2 GLU A 31 19.426 -12.980 -13.345 1.00 33.23 H new ATOM 0 HB3 GLU A 31 20.433 -13.356 -14.729 1.00 33.23 H new ATOM 0 HG2 GLU A 31 18.782 -12.086 -16.163 1.00 43.52 H new ATOM 0 HG3 GLU A 31 17.978 -11.586 -14.688 1.00 43.52 H new ATOM 307 N LEU A 32 18.345 -15.730 -12.767 1.00 44.14 N ATOM 308 CA LEU A 32 18.682 -16.815 -11.884 1.00 12.32 C ATOM 309 C LEU A 32 18.025 -18.116 -12.328 1.00 34.44 C ATOM 310 O LEU A 32 18.416 -19.195 -11.893 1.00 41.43 O ATOM 311 CB LEU A 32 18.298 -16.468 -10.446 1.00 11.04 C ATOM 312 CG LEU A 32 18.941 -15.202 -9.887 1.00 3.55 C ATOM 313 CD1 LEU A 32 18.576 -14.983 -8.433 1.00 53.13 C ATOM 314 CD2 LEU A 32 20.447 -15.185 -10.096 1.00 54.53 C ATOM 0 H LEU A 32 17.594 -15.130 -12.426 1.00 44.14 H new ATOM 0 HA LEU A 32 19.761 -16.965 -11.926 1.00 12.32 H new ATOM 0 HB2 LEU A 32 17.215 -16.360 -10.393 1.00 11.04 H new ATOM 0 HB3 LEU A 32 18.566 -17.306 -9.803 1.00 11.04 H new ATOM 0 HG LEU A 32 18.533 -14.365 -10.453 1.00 3.55 H new ATOM 0 HD11 LEU A 32 19.053 -14.072 -8.071 1.00 53.13 H new ATOM 0 HD12 LEU A 32 17.494 -14.888 -8.340 1.00 53.13 H new ATOM 0 HD13 LEU A 32 18.918 -15.831 -7.840 1.00 53.13 H new ATOM 0 HD21 LEU A 32 20.861 -14.266 -9.682 1.00 54.53 H new ATOM 0 HD22 LEU A 32 20.894 -16.043 -9.593 1.00 54.53 H new ATOM 0 HD23 LEU A 32 20.667 -15.235 -11.162 1.00 54.53 H new ATOM 326 N ASN A 33 16.984 -17.974 -13.161 1.00 4.05 N ATOM 327 CA ASN A 33 16.236 -19.089 -13.788 1.00 1.15 C ATOM 328 C ASN A 33 15.500 -19.916 -12.694 1.00 53.34 C ATOM 329 O ASN A 33 15.084 -21.054 -12.900 1.00 60.33 O ATOM 330 CB ASN A 33 17.217 -19.964 -14.657 1.00 60.43 C ATOM 331 CG ASN A 33 16.569 -20.884 -15.735 1.00 32.43 C ATOM 332 OD1 ASN A 33 17.148 -21.095 -16.794 1.00 60.42 O ATOM 333 ND2 ASN A 33 15.435 -21.475 -15.470 1.00 34.20 N ATOM 0 H ASN A 33 16.624 -17.058 -13.429 1.00 4.05 H new ATOM 0 HA ASN A 33 15.471 -18.698 -14.459 1.00 1.15 H new ATOM 0 HB2 ASN A 33 17.917 -19.295 -15.158 1.00 60.43 H new ATOM 0 HB3 ASN A 33 17.802 -20.590 -13.983 1.00 60.43 H new ATOM 0 HD21 ASN A 33 15.025 -22.118 -16.147 1.00 34.20 H new ATOM 0 HD22 ASN A 33 14.960 -21.294 -14.586 1.00 34.20 H new ATOM 340 N LEU A 34 15.280 -19.298 -11.563 1.00 2.10 N ATOM 341 CA LEU A 34 14.598 -19.941 -10.470 1.00 12.22 C ATOM 342 C LEU A 34 13.295 -19.232 -10.164 1.00 53.32 C ATOM 343 O LEU A 34 13.012 -18.201 -10.748 1.00 2.12 O ATOM 344 CB LEU A 34 15.523 -20.128 -9.238 1.00 75.31 C ATOM 345 CG LEU A 34 16.293 -18.912 -8.698 1.00 33.43 C ATOM 346 CD1 LEU A 34 15.379 -17.901 -8.049 1.00 62.53 C ATOM 347 CD2 LEU A 34 17.352 -19.370 -7.725 1.00 54.43 C ATOM 0 H LEU A 34 15.567 -18.338 -11.374 1.00 2.10 H new ATOM 0 HA LEU A 34 14.331 -20.954 -10.772 1.00 12.22 H new ATOM 0 HB2 LEU A 34 14.913 -20.520 -8.424 1.00 75.31 H new ATOM 0 HB3 LEU A 34 16.254 -20.897 -9.488 1.00 75.31 H new ATOM 0 HG LEU A 34 16.767 -18.415 -9.545 1.00 33.43 H new ATOM 0 HD11 LEU A 34 15.968 -17.060 -7.683 1.00 62.53 H new ATOM 0 HD12 LEU A 34 14.653 -17.545 -8.780 1.00 62.53 H new ATOM 0 HD13 LEU A 34 14.855 -18.367 -7.215 1.00 62.53 H new ATOM 0 HD21 LEU A 34 17.895 -18.505 -7.345 1.00 54.43 H new ATOM 0 HD22 LEU A 34 16.880 -19.896 -6.895 1.00 54.43 H new ATOM 0 HD23 LEU A 34 18.046 -20.040 -8.232 1.00 54.43 H new ATOM 359 N THR A 35 12.504 -19.771 -9.275 1.00 61.35 N ATOM 360 CA THR A 35 11.237 -19.181 -8.969 1.00 73.21 C ATOM 361 C THR A 35 11.393 -18.155 -7.841 1.00 5.12 C ATOM 362 O THR A 35 12.285 -18.289 -7.010 1.00 53.14 O ATOM 363 CB THR A 35 10.216 -20.272 -8.578 1.00 72.43 C ATOM 364 OG1 THR A 35 10.781 -21.120 -7.570 1.00 71.24 O ATOM 365 CG2 THR A 35 9.827 -21.111 -9.789 1.00 73.33 C ATOM 0 H THR A 35 12.719 -20.619 -8.751 1.00 61.35 H new ATOM 0 HA THR A 35 10.864 -18.667 -9.855 1.00 73.21 H new ATOM 0 HB THR A 35 9.321 -19.784 -8.192 1.00 72.43 H new ATOM 0 HG1 THR A 35 10.131 -21.811 -7.322 1.00 71.24 H new ATOM 0 HG21 THR A 35 9.107 -21.872 -9.488 1.00 73.33 H new ATOM 0 HG22 THR A 35 9.380 -20.469 -10.548 1.00 73.33 H new ATOM 0 HG23 THR A 35 10.715 -21.593 -10.198 1.00 73.33 H new ATOM 373 N PRO A 36 10.506 -17.124 -7.769 1.00 53.04 N ATOM 374 CA PRO A 36 10.580 -16.056 -6.737 1.00 60.33 C ATOM 375 C PRO A 36 10.366 -16.569 -5.304 1.00 13.33 C ATOM 376 O PRO A 36 10.408 -15.802 -4.341 1.00 53.32 O ATOM 377 CB PRO A 36 9.456 -15.083 -7.129 1.00 41.12 C ATOM 378 CG PRO A 36 9.111 -15.420 -8.540 1.00 52.33 C ATOM 379 CD PRO A 36 9.386 -16.885 -8.703 1.00 20.40 C ATOM 0 HA PRO A 36 11.572 -15.604 -6.719 1.00 60.33 H new ATOM 0 HB2 PRO A 36 8.591 -15.198 -6.475 1.00 41.12 H new ATOM 0 HB3 PRO A 36 9.785 -14.048 -7.042 1.00 41.12 H new ATOM 0 HG2 PRO A 36 8.065 -15.195 -8.749 1.00 52.33 H new ATOM 0 HG3 PRO A 36 9.708 -14.832 -9.237 1.00 52.33 H new ATOM 0 HD2 PRO A 36 8.515 -17.489 -8.450 1.00 20.40 H new ATOM 0 HD3 PRO A 36 9.658 -17.132 -9.729 1.00 20.40 H new ATOM 387 N GLN A 37 10.094 -17.835 -5.194 1.00 15.53 N ATOM 388 CA GLN A 37 9.896 -18.496 -3.934 1.00 13.23 C ATOM 389 C GLN A 37 11.230 -19.043 -3.444 1.00 24.35 C ATOM 390 O GLN A 37 11.508 -19.025 -2.257 1.00 11.30 O ATOM 391 CB GLN A 37 8.815 -19.606 -4.111 1.00 1.44 C ATOM 392 CG GLN A 37 8.479 -20.488 -2.885 1.00 21.33 C ATOM 393 CD GLN A 37 9.392 -21.707 -2.722 1.00 31.24 C ATOM 394 OE1 GLN A 37 9.120 -22.767 -3.267 1.00 12.41 O ATOM 395 NE2 GLN A 37 10.449 -21.571 -1.973 1.00 44.01 N ATOM 0 H GLN A 37 10.001 -18.455 -5.998 1.00 15.53 H new ATOM 0 HA GLN A 37 9.532 -17.803 -3.175 1.00 13.23 H new ATOM 0 HB2 GLN A 37 7.894 -19.126 -4.441 1.00 1.44 H new ATOM 0 HB3 GLN A 37 9.139 -20.263 -4.918 1.00 1.44 H new ATOM 0 HG2 GLN A 37 8.541 -19.878 -1.984 1.00 21.33 H new ATOM 0 HG3 GLN A 37 7.447 -20.829 -2.968 1.00 21.33 H new ATOM 0 HE21 GLN A 37 10.649 -20.674 -1.532 1.00 44.01 H new ATOM 0 HE22 GLN A 37 11.076 -22.362 -1.828 1.00 44.01 H new ATOM 404 N GLN A 38 12.079 -19.442 -4.381 1.00 22.21 N ATOM 405 CA GLN A 38 13.349 -20.092 -4.062 1.00 11.40 C ATOM 406 C GLN A 38 14.493 -19.081 -3.994 1.00 42.03 C ATOM 407 O GLN A 38 15.656 -19.429 -4.189 1.00 32.14 O ATOM 408 CB GLN A 38 13.667 -21.170 -5.113 1.00 2.33 C ATOM 409 CG GLN A 38 12.664 -22.329 -5.178 1.00 41.22 C ATOM 410 CD GLN A 38 12.648 -23.226 -3.937 1.00 15.02 C ATOM 411 OE1 GLN A 38 12.919 -22.804 -2.826 1.00 43.31 O ATOM 412 NE2 GLN A 38 12.315 -24.475 -4.128 1.00 25.15 N ATOM 0 H GLN A 38 11.911 -19.326 -5.380 1.00 22.21 H new ATOM 0 HA GLN A 38 13.250 -20.556 -3.081 1.00 11.40 H new ATOM 0 HB2 GLN A 38 13.716 -20.697 -6.094 1.00 2.33 H new ATOM 0 HB3 GLN A 38 14.657 -21.577 -4.906 1.00 2.33 H new ATOM 0 HG2 GLN A 38 11.665 -21.920 -5.328 1.00 41.22 H new ATOM 0 HG3 GLN A 38 12.892 -22.941 -6.050 1.00 41.22 H new ATOM 0 HE21 GLN A 38 12.092 -24.806 -5.067 1.00 25.15 H new ATOM 0 HE22 GLN A 38 12.278 -25.119 -3.338 1.00 25.15 H new ATOM 421 N LEU A 39 14.173 -17.845 -3.701 1.00 1.10 N ATOM 422 CA LEU A 39 15.196 -16.847 -3.568 1.00 52.02 C ATOM 423 C LEU A 39 15.247 -16.469 -2.105 1.00 1.04 C ATOM 424 O LEU A 39 14.215 -16.471 -1.428 1.00 60.24 O ATOM 425 CB LEU A 39 14.918 -15.592 -4.479 1.00 74.42 C ATOM 426 CG LEU A 39 14.118 -14.391 -3.888 1.00 45.22 C ATOM 427 CD1 LEU A 39 15.001 -13.500 -3.003 1.00 62.11 C ATOM 428 CD2 LEU A 39 13.512 -13.549 -4.982 1.00 31.42 C ATOM 0 H LEU A 39 13.221 -17.511 -3.552 1.00 1.10 H new ATOM 0 HA LEU A 39 16.156 -17.241 -3.901 1.00 52.02 H new ATOM 0 HB2 LEU A 39 15.882 -15.211 -4.817 1.00 74.42 H new ATOM 0 HB3 LEU A 39 14.384 -15.939 -5.364 1.00 74.42 H new ATOM 0 HG LEU A 39 13.323 -14.818 -3.276 1.00 45.22 H new ATOM 0 HD11 LEU A 39 14.407 -12.675 -2.610 1.00 62.11 H new ATOM 0 HD12 LEU A 39 15.397 -14.088 -2.175 1.00 62.11 H new ATOM 0 HD13 LEU A 39 15.826 -13.104 -3.594 1.00 62.11 H new ATOM 0 HD21 LEU A 39 12.960 -12.720 -4.539 1.00 31.42 H new ATOM 0 HD22 LEU A 39 14.304 -13.158 -5.621 1.00 31.42 H new ATOM 0 HD23 LEU A 39 12.833 -14.160 -5.577 1.00 31.42 H new ATOM 440 N HIS A 40 16.402 -16.137 -1.629 1.00 43.32 N ATOM 441 CA HIS A 40 16.556 -15.724 -0.264 1.00 52.14 C ATOM 442 C HIS A 40 16.837 -14.240 -0.162 1.00 12.21 C ATOM 443 O HIS A 40 17.925 -13.795 -0.500 1.00 73.45 O ATOM 444 CB HIS A 40 17.671 -16.480 0.402 1.00 41.32 C ATOM 445 CG HIS A 40 17.325 -17.868 0.847 1.00 11.33 C ATOM 446 ND1 HIS A 40 16.866 -18.162 2.115 1.00 33.13 N ATOM 447 CD2 HIS A 40 17.403 -19.051 0.194 1.00 0.33 C ATOM 448 CE1 HIS A 40 16.686 -19.477 2.196 1.00 65.15 C ATOM 449 NE2 HIS A 40 16.998 -20.072 1.053 1.00 34.35 N ATOM 0 H HIS A 40 17.267 -16.143 -2.170 1.00 43.32 H new ATOM 0 HA HIS A 40 15.615 -15.941 0.242 1.00 52.14 H new ATOM 0 HB2 HIS A 40 18.513 -16.536 -0.288 1.00 41.32 H new ATOM 0 HB3 HIS A 40 18.007 -15.911 1.269 1.00 41.32 H new ATOM 0 HD2 HIS A 40 17.727 -19.183 -0.828 1.00 0.33 H new ATOM 0 HE1 HIS A 40 16.332 -19.992 3.077 1.00 65.15 H new ATOM 0 HE2 HIS A 40 16.951 -21.070 0.845 1.00 34.35 H new ATOM 457 N GLU A 41 15.836 -13.461 0.218 1.00 61.35 N ATOM 458 CA GLU A 41 16.034 -12.031 0.397 1.00 54.03 C ATOM 459 C GLU A 41 16.541 -11.674 1.789 1.00 40.01 C ATOM 460 O GLU A 41 16.867 -10.512 2.057 1.00 11.23 O ATOM 461 CB GLU A 41 14.830 -11.199 -0.018 1.00 1.52 C ATOM 462 CG GLU A 41 13.560 -11.413 0.763 1.00 32.54 C ATOM 463 CD GLU A 41 12.425 -10.636 0.148 1.00 21.22 C ATOM 464 OE1 GLU A 41 12.473 -9.390 0.144 1.00 12.55 O ATOM 465 OE2 GLU A 41 11.517 -11.270 -0.404 1.00 2.20 O ATOM 0 H GLU A 41 14.889 -13.790 0.407 1.00 61.35 H new ATOM 0 HA GLU A 41 16.831 -11.761 -0.296 1.00 54.03 H new ATOM 0 HB2 GLU A 41 15.102 -10.146 0.056 1.00 1.52 H new ATOM 0 HB3 GLU A 41 14.622 -11.401 -1.069 1.00 1.52 H new ATOM 0 HG2 GLU A 41 13.313 -12.474 0.783 1.00 32.54 H new ATOM 0 HG3 GLU A 41 13.705 -11.100 1.797 1.00 32.54 H new ATOM 472 N GLU A 42 16.560 -12.659 2.665 1.00 4.31 N ATOM 473 CA GLU A 42 17.123 -12.537 4.001 1.00 41.33 C ATOM 474 C GLU A 42 18.547 -13.080 4.001 1.00 22.10 C ATOM 475 O GLU A 42 19.391 -12.674 4.803 1.00 54.32 O ATOM 476 CB GLU A 42 16.234 -13.205 5.108 1.00 60.11 C ATOM 477 CG GLU A 42 15.324 -14.379 4.669 1.00 22.15 C ATOM 478 CD GLU A 42 16.034 -15.477 3.916 1.00 44.52 C ATOM 479 OE1 GLU A 42 16.250 -15.293 2.721 1.00 53.41 O ATOM 480 OE2 GLU A 42 16.380 -16.509 4.490 1.00 60.51 O ATOM 0 H GLU A 42 16.179 -13.584 2.468 1.00 4.31 H new ATOM 0 HA GLU A 42 17.146 -11.479 4.261 1.00 41.33 H new ATOM 0 HB2 GLU A 42 16.892 -13.565 5.899 1.00 60.11 H new ATOM 0 HB3 GLU A 42 15.602 -12.433 5.546 1.00 60.11 H new ATOM 0 HG2 GLU A 42 14.855 -14.808 5.554 1.00 22.15 H new ATOM 0 HG3 GLU A 42 14.523 -13.986 4.043 1.00 22.15 H new ATOM 487 N SER A 43 18.795 -13.990 3.094 1.00 62.43 N ATOM 488 CA SER A 43 20.109 -14.494 2.858 1.00 42.02 C ATOM 489 C SER A 43 20.754 -13.611 1.810 1.00 54.44 C ATOM 490 O SER A 43 20.101 -12.737 1.218 1.00 42.11 O ATOM 491 CB SER A 43 20.094 -15.937 2.387 1.00 52.15 C ATOM 492 OG SER A 43 21.408 -16.513 2.417 1.00 14.54 O ATOM 0 H SER A 43 18.078 -14.401 2.496 1.00 62.43 H new ATOM 0 HA SER A 43 20.672 -14.478 3.791 1.00 42.02 H new ATOM 0 HB2 SER A 43 19.425 -16.521 3.020 1.00 52.15 H new ATOM 0 HB3 SER A 43 19.697 -15.986 1.373 1.00 52.15 H new ATOM 0 HG SER A 43 21.365 -17.443 2.110 1.00 14.54 H new ATOM 498 N ASN A 44 22.017 -13.791 1.595 1.00 24.21 N ATOM 499 CA ASN A 44 22.715 -12.932 0.694 1.00 3.42 C ATOM 500 C ASN A 44 22.540 -13.349 -0.737 1.00 40.24 C ATOM 501 O ASN A 44 22.819 -14.473 -1.108 1.00 4.24 O ATOM 502 CB ASN A 44 24.193 -12.779 1.035 1.00 61.11 C ATOM 503 CG ASN A 44 24.452 -12.200 2.416 1.00 61.22 C ATOM 504 OD1 ASN A 44 25.448 -12.516 3.035 1.00 61.32 O ATOM 505 ND2 ASN A 44 23.564 -11.361 2.906 1.00 43.44 N ATOM 0 H ASN A 44 22.584 -14.520 2.028 1.00 24.21 H new ATOM 0 HA ASN A 44 22.257 -11.951 0.818 1.00 3.42 H new ATOM 0 HB2 ASN A 44 24.674 -13.754 0.965 1.00 61.11 H new ATOM 0 HB3 ASN A 44 24.663 -12.138 0.289 1.00 61.11 H new ATOM 0 HD21 ASN A 44 23.702 -10.955 3.832 1.00 43.44 H new ATOM 0 HD22 ASN A 44 22.738 -11.116 2.360 1.00 43.44 H new ATOM 512 N LEU A 45 22.119 -12.408 -1.542 1.00 25.20 N ATOM 513 CA LEU A 45 21.905 -12.626 -2.969 1.00 35.20 C ATOM 514 C LEU A 45 23.221 -12.861 -3.728 1.00 51.41 C ATOM 515 O LEU A 45 23.213 -13.359 -4.838 1.00 34.11 O ATOM 516 CB LEU A 45 21.134 -11.452 -3.575 1.00 23.43 C ATOM 517 CG LEU A 45 19.720 -11.222 -3.032 1.00 32.32 C ATOM 518 CD1 LEU A 45 19.112 -9.984 -3.652 1.00 0.40 C ATOM 519 CD2 LEU A 45 18.833 -12.428 -3.308 1.00 60.23 C ATOM 0 H LEU A 45 21.910 -11.458 -1.234 1.00 25.20 H new ATOM 0 HA LEU A 45 21.312 -13.535 -3.074 1.00 35.20 H new ATOM 0 HB2 LEU A 45 21.714 -10.543 -3.417 1.00 23.43 H new ATOM 0 HB3 LEU A 45 21.067 -11.605 -4.652 1.00 23.43 H new ATOM 0 HG LEU A 45 19.790 -11.081 -1.953 1.00 32.32 H new ATOM 0 HD11 LEU A 45 18.108 -9.835 -3.256 1.00 0.40 H new ATOM 0 HD12 LEU A 45 19.729 -9.117 -3.414 1.00 0.40 H new ATOM 0 HD13 LEU A 45 19.061 -10.107 -4.734 1.00 0.40 H new ATOM 0 HD21 LEU A 45 17.834 -12.243 -2.914 1.00 60.23 H new ATOM 0 HD22 LEU A 45 18.773 -12.597 -4.383 1.00 60.23 H new ATOM 0 HD23 LEU A 45 19.256 -13.309 -2.825 1.00 60.23 H new ATOM 531 N ILE A 46 24.351 -12.539 -3.092 1.00 40.32 N ATOM 532 CA ILE A 46 25.682 -12.727 -3.710 1.00 5.03 C ATOM 533 C ILE A 46 26.053 -14.235 -3.646 1.00 75.35 C ATOM 534 O ILE A 46 27.053 -14.674 -4.185 1.00 62.22 O ATOM 535 CB ILE A 46 26.783 -11.870 -2.970 1.00 61.12 C ATOM 536 CG1 ILE A 46 26.315 -10.427 -2.753 1.00 44.02 C ATOM 537 CG2 ILE A 46 28.100 -11.831 -3.764 1.00 72.23 C ATOM 538 CD1 ILE A 46 26.136 -9.609 -4.016 1.00 23.11 C ATOM 0 H ILE A 46 24.379 -12.147 -2.151 1.00 40.32 H new ATOM 0 HA ILE A 46 25.642 -12.391 -4.746 1.00 5.03 H new ATOM 0 HB ILE A 46 26.950 -12.354 -2.008 1.00 61.12 H new ATOM 0 HG12 ILE A 46 25.367 -10.447 -2.215 1.00 44.02 H new ATOM 0 HG13 ILE A 46 27.036 -9.921 -2.111 1.00 44.02 H new ATOM 0 HG21 ILE A 46 28.833 -11.232 -3.223 1.00 72.23 H new ATOM 0 HG22 ILE A 46 28.480 -12.845 -3.888 1.00 72.23 H new ATOM 0 HG23 ILE A 46 27.921 -11.388 -4.744 1.00 72.23 H new ATOM 0 HD11 ILE A 46 25.803 -8.604 -3.755 1.00 23.11 H new ATOM 0 HD12 ILE A 46 27.085 -9.550 -4.549 1.00 23.11 H new ATOM 0 HD13 ILE A 46 25.391 -10.084 -4.654 1.00 23.11 H new ATOM 550 N GLN A 47 25.212 -15.006 -2.951 1.00 61.51 N ATOM 551 CA GLN A 47 25.369 -16.458 -2.859 1.00 4.02 C ATOM 552 C GLN A 47 24.773 -17.124 -4.106 1.00 0.13 C ATOM 553 O GLN A 47 24.952 -18.314 -4.347 1.00 21.45 O ATOM 554 CB GLN A 47 24.671 -16.991 -1.612 1.00 61.14 C ATOM 555 CG GLN A 47 25.271 -16.519 -0.291 1.00 0.43 C ATOM 556 CD GLN A 47 24.429 -16.933 0.908 1.00 0.21 C ATOM 557 OE1 GLN A 47 23.744 -17.945 0.886 1.00 51.41 O ATOM 558 NE2 GLN A 47 24.489 -16.166 1.973 1.00 20.43 N ATOM 0 H GLN A 47 24.408 -14.643 -2.439 1.00 61.51 H new ATOM 0 HA GLN A 47 26.432 -16.691 -2.794 1.00 4.02 H new ATOM 0 HB2 GLN A 47 23.623 -16.695 -1.645 1.00 61.14 H new ATOM 0 HB3 GLN A 47 24.695 -18.080 -1.637 1.00 61.14 H new ATOM 0 HG2 GLN A 47 26.276 -16.928 -0.185 1.00 0.43 H new ATOM 0 HG3 GLN A 47 25.368 -15.433 -0.306 1.00 0.43 H new ATOM 0 HE21 GLN A 47 25.069 -15.327 1.965 1.00 20.43 H new ATOM 0 HE22 GLN A 47 23.956 -16.410 2.808 1.00 20.43 H new ATOM 567 N ALA A 48 24.051 -16.335 -4.873 1.00 13.53 N ATOM 568 CA ALA A 48 23.436 -16.776 -6.098 1.00 4.40 C ATOM 569 C ALA A 48 24.220 -16.180 -7.249 1.00 32.52 C ATOM 570 O ALA A 48 25.225 -15.503 -7.016 1.00 14.15 O ATOM 571 CB ALA A 48 21.977 -16.332 -6.148 1.00 54.34 C ATOM 0 H ALA A 48 23.875 -15.354 -4.656 1.00 13.53 H new ATOM 0 HA ALA A 48 23.449 -17.864 -6.162 1.00 4.40 H new ATOM 0 HB1 ALA A 48 21.525 -16.672 -7.080 1.00 54.34 H new ATOM 0 HB2 ALA A 48 21.437 -16.762 -5.304 1.00 54.34 H new ATOM 0 HB3 ALA A 48 21.926 -15.244 -6.096 1.00 54.34 H new ATOM 577 N GLY A 49 23.800 -16.428 -8.484 1.00 31.44 N ATOM 578 CA GLY A 49 24.523 -15.856 -9.597 1.00 23.30 C ATOM 579 C GLY A 49 24.215 -14.382 -9.738 1.00 24.30 C ATOM 580 O GLY A 49 23.327 -13.983 -10.479 1.00 20.31 O ATOM 0 H GLY A 49 22.992 -17.001 -8.729 1.00 31.44 H new ATOM 0 HA2 GLY A 49 25.594 -15.996 -9.451 1.00 23.30 H new ATOM 0 HA3 GLY A 49 24.256 -16.377 -10.516 1.00 23.30 H new ATOM 584 N LEU A 50 24.963 -13.598 -9.035 1.00 75.43 N ATOM 585 CA LEU A 50 24.833 -12.195 -9.020 1.00 2.03 C ATOM 586 C LEU A 50 26.216 -11.579 -9.048 1.00 74.12 C ATOM 587 O LEU A 50 26.934 -11.569 -8.047 1.00 52.43 O ATOM 588 CB LEU A 50 24.048 -11.774 -7.768 1.00 34.14 C ATOM 589 CG LEU A 50 23.958 -10.283 -7.478 1.00 40.02 C ATOM 590 CD1 LEU A 50 23.258 -9.545 -8.598 1.00 25.30 C ATOM 591 CD2 LEU A 50 23.250 -10.035 -6.171 1.00 15.32 C ATOM 0 H LEU A 50 25.711 -13.941 -8.432 1.00 75.43 H new ATOM 0 HA LEU A 50 24.283 -11.845 -9.894 1.00 2.03 H new ATOM 0 HB2 LEU A 50 23.034 -12.164 -7.857 1.00 34.14 H new ATOM 0 HB3 LEU A 50 24.502 -12.260 -6.904 1.00 34.14 H new ATOM 0 HG LEU A 50 24.976 -9.901 -7.404 1.00 40.02 H new ATOM 0 HD11 LEU A 50 23.210 -8.482 -8.360 1.00 25.30 H new ATOM 0 HD12 LEU A 50 23.811 -9.684 -9.527 1.00 25.30 H new ATOM 0 HD13 LEU A 50 22.247 -9.936 -8.716 1.00 25.30 H new ATOM 0 HD21 LEU A 50 23.197 -8.963 -5.984 1.00 15.32 H new ATOM 0 HD22 LEU A 50 22.241 -10.445 -6.220 1.00 15.32 H new ATOM 0 HD23 LEU A 50 23.799 -10.518 -5.363 1.00 15.32 H new ATOM 603 N ASP A 51 26.596 -11.156 -10.215 1.00 74.11 N ATOM 604 CA ASP A 51 27.864 -10.507 -10.448 1.00 14.51 C ATOM 605 C ASP A 51 27.718 -9.017 -10.216 1.00 2.41 C ATOM 606 O ASP A 51 26.689 -8.551 -9.702 1.00 2.02 O ATOM 607 CB ASP A 51 28.356 -10.777 -11.880 1.00 1.44 C ATOM 608 CG ASP A 51 27.318 -10.439 -12.935 1.00 65.34 C ATOM 609 OD1 ASP A 51 26.905 -9.280 -13.043 1.00 1.02 O ATOM 610 OD2 ASP A 51 26.888 -11.344 -13.657 1.00 21.12 O ATOM 0 H ASP A 51 26.025 -11.251 -11.055 1.00 74.11 H new ATOM 0 HA ASP A 51 28.601 -10.910 -9.754 1.00 14.51 H new ATOM 0 HB2 ASP A 51 29.258 -10.194 -12.065 1.00 1.44 H new ATOM 0 HB3 ASP A 51 28.632 -11.828 -11.972 1.00 1.44 H new ATOM 680 N ILE A 53 27.803 -6.726 -12.607 1.00 63.31 N ATOM 681 CA ILE A 53 27.212 -6.056 -13.693 1.00 40.33 C ATOM 682 C ILE A 53 25.715 -6.036 -13.460 1.00 35.13 C ATOM 683 O ILE A 53 25.026 -5.061 -13.782 1.00 74.21 O ATOM 684 CB ILE A 53 27.632 -6.670 -15.066 1.00 43.42 C ATOM 685 CG1 ILE A 53 27.928 -5.566 -16.062 1.00 11.21 C ATOM 686 CG2 ILE A 53 26.608 -7.656 -15.654 1.00 20.43 C ATOM 687 CD1 ILE A 53 26.784 -4.598 -16.276 1.00 54.51 C ATOM 0 HA ILE A 53 27.571 -5.028 -13.749 1.00 40.33 H new ATOM 0 HB ILE A 53 28.531 -7.254 -14.871 1.00 43.42 H new ATOM 0 HG12 ILE A 53 28.801 -5.009 -15.721 1.00 11.21 H new ATOM 0 HG13 ILE A 53 28.191 -6.017 -17.019 1.00 11.21 H new ATOM 0 HG21 ILE A 53 26.975 -8.037 -16.607 1.00 20.43 H new ATOM 0 HG22 ILE A 53 26.464 -8.486 -14.963 1.00 20.43 H new ATOM 0 HG23 ILE A 53 25.658 -7.144 -15.809 1.00 20.43 H new ATOM 0 HD11 ILE A 53 27.079 -3.841 -17.002 1.00 54.51 H new ATOM 0 HD12 ILE A 53 25.914 -5.139 -16.649 1.00 54.51 H new ATOM 0 HD13 ILE A 53 26.534 -4.116 -15.331 1.00 54.51 H new ATOM 699 N ARG A 54 25.222 -7.096 -12.854 1.00 42.03 N ATOM 700 CA ARG A 54 23.860 -7.123 -12.412 1.00 71.55 C ATOM 701 C ARG A 54 23.679 -6.069 -11.356 1.00 21.22 C ATOM 702 O ARG A 54 22.763 -5.271 -11.429 1.00 41.54 O ATOM 703 CB ARG A 54 23.455 -8.488 -11.865 1.00 63.35 C ATOM 704 CG ARG A 54 22.928 -9.466 -12.894 1.00 31.13 C ATOM 705 CD ARG A 54 23.947 -9.846 -13.946 1.00 62.31 C ATOM 706 NE ARG A 54 23.327 -10.718 -14.940 1.00 11.34 N ATOM 707 CZ ARG A 54 23.924 -11.629 -15.691 1.00 34.43 C ATOM 708 NH1 ARG A 54 25.207 -11.933 -15.520 1.00 4.34 N ATOM 709 NH2 ARG A 54 23.191 -12.281 -16.590 1.00 45.04 N ATOM 0 H ARG A 54 25.751 -7.946 -12.660 1.00 42.03 H new ATOM 0 HA ARG A 54 23.217 -6.924 -13.269 1.00 71.55 H new ATOM 0 HB2 ARG A 54 24.319 -8.935 -11.372 1.00 63.35 H new ATOM 0 HB3 ARG A 54 22.691 -8.343 -11.101 1.00 63.35 H new ATOM 0 HG2 ARG A 54 22.590 -10.369 -12.385 1.00 31.13 H new ATOM 0 HG3 ARG A 54 22.057 -9.031 -13.384 1.00 31.13 H new ATOM 0 HD2 ARG A 54 24.338 -8.950 -14.428 1.00 62.31 H new ATOM 0 HD3 ARG A 54 24.793 -10.353 -13.481 1.00 62.31 H new ATOM 0 HE ARG A 54 22.321 -10.613 -15.070 1.00 11.34 H new ATOM 0 HH11 ARG A 54 25.751 -11.460 -14.798 1.00 4.34 H new ATOM 0 HH12 ARG A 54 25.647 -12.639 -16.111 1.00 4.34 H new ATOM 0 HH21 ARG A 54 22.197 -12.073 -16.686 1.00 45.04 H new ATOM 0 HH22 ARG A 54 23.623 -12.989 -17.184 1.00 45.04 H new ATOM 723 N LEU A 55 24.610 -6.027 -10.424 1.00 53.32 N ATOM 724 CA LEU A 55 24.575 -5.070 -9.340 1.00 5.03 C ATOM 725 C LEU A 55 24.646 -3.628 -9.816 1.00 71.21 C ATOM 726 O LEU A 55 23.831 -2.815 -9.407 1.00 2.32 O ATOM 727 CB LEU A 55 25.627 -5.403 -8.286 1.00 43.43 C ATOM 728 CG LEU A 55 25.304 -6.656 -7.465 1.00 52.45 C ATOM 729 CD1 LEU A 55 26.482 -7.116 -6.652 1.00 71.52 C ATOM 730 CD2 LEU A 55 24.147 -6.359 -6.537 1.00 43.44 C ATOM 0 H LEU A 55 25.412 -6.657 -10.398 1.00 53.32 H new ATOM 0 HA LEU A 55 23.599 -5.158 -8.863 1.00 5.03 H new ATOM 0 HB2 LEU A 55 26.590 -5.540 -8.778 1.00 43.43 H new ATOM 0 HB3 LEU A 55 25.732 -4.554 -7.610 1.00 43.43 H new ATOM 0 HG LEU A 55 25.046 -7.453 -8.162 1.00 52.45 H new ATOM 0 HD11 LEU A 55 26.208 -8.006 -6.086 1.00 71.52 H new ATOM 0 HD12 LEU A 55 27.314 -7.350 -7.317 1.00 71.52 H new ATOM 0 HD13 LEU A 55 26.780 -6.326 -5.963 1.00 71.52 H new ATOM 0 HD21 LEU A 55 23.913 -7.248 -5.951 1.00 43.44 H new ATOM 0 HD22 LEU A 55 24.418 -5.543 -5.867 1.00 43.44 H new ATOM 0 HD23 LEU A 55 23.274 -6.072 -7.124 1.00 43.44 H new ATOM 742 N MET A 56 25.577 -3.315 -10.705 1.00 53.22 N ATOM 743 CA MET A 56 25.687 -1.947 -11.235 1.00 74.22 C ATOM 744 C MET A 56 24.477 -1.567 -12.067 1.00 13.43 C ATOM 745 O MET A 56 24.101 -0.389 -12.132 1.00 4.31 O ATOM 746 CB MET A 56 26.995 -1.734 -12.001 1.00 32.10 C ATOM 747 CG MET A 56 28.244 -1.393 -11.146 1.00 13.43 C ATOM 748 SD MET A 56 28.622 -2.533 -9.772 1.00 41.21 S ATOM 749 CE MET A 56 27.525 -1.975 -8.473 1.00 3.03 C ATOM 0 H MET A 56 26.262 -3.973 -11.076 1.00 53.22 H new ATOM 0 HA MET A 56 25.709 -1.274 -10.378 1.00 74.22 H new ATOM 0 HB2 MET A 56 27.208 -2.637 -12.573 1.00 32.10 H new ATOM 0 HB3 MET A 56 26.843 -0.930 -12.721 1.00 32.10 H new ATOM 0 HG2 MET A 56 29.110 -1.355 -11.807 1.00 13.43 H new ATOM 0 HG3 MET A 56 28.113 -0.392 -10.734 1.00 13.43 H new ATOM 0 HE1 MET A 56 28.098 -1.804 -7.562 1.00 3.03 H new ATOM 0 HE2 MET A 56 27.043 -1.046 -8.778 1.00 3.03 H new ATOM 0 HE3 MET A 56 26.765 -2.734 -8.287 1.00 3.03 H new ATOM 759 N ARG A 57 23.856 -2.565 -12.671 1.00 43.25 N ATOM 760 CA ARG A 57 22.635 -2.380 -13.406 1.00 31.24 C ATOM 761 C ARG A 57 21.542 -1.918 -12.474 1.00 22.40 C ATOM 762 O ARG A 57 20.811 -0.989 -12.785 1.00 12.00 O ATOM 763 CB ARG A 57 22.204 -3.657 -14.005 1.00 22.34 C ATOM 764 CG ARG A 57 21.182 -3.413 -15.056 1.00 73.13 C ATOM 765 CD ARG A 57 20.368 -4.596 -15.232 1.00 43.35 C ATOM 766 NE ARG A 57 21.118 -5.752 -15.761 1.00 1.14 N ATOM 767 CZ ARG A 57 20.845 -7.041 -15.472 1.00 41.32 C ATOM 768 NH1 ARG A 57 19.976 -7.343 -14.520 1.00 52.21 N ATOM 769 NH2 ARG A 57 21.477 -8.022 -16.113 1.00 14.44 N ATOM 0 H ARG A 57 24.193 -3.528 -12.660 1.00 43.25 H new ATOM 0 HA ARG A 57 22.815 -1.639 -14.185 1.00 31.24 H new ATOM 0 HB2 ARG A 57 23.062 -4.173 -14.435 1.00 22.34 H new ATOM 0 HB3 ARG A 57 21.794 -4.309 -13.233 1.00 22.34 H new ATOM 0 HG2 ARG A 57 20.554 -2.567 -14.776 1.00 73.13 H new ATOM 0 HG3 ARG A 57 21.669 -3.152 -15.996 1.00 73.13 H new ATOM 0 HD2 ARG A 57 19.924 -4.868 -14.274 1.00 43.35 H new ATOM 0 HD3 ARG A 57 19.546 -4.365 -15.910 1.00 43.35 H new ATOM 0 HE ARG A 57 21.898 -5.563 -16.390 1.00 1.14 H new ATOM 0 HH11 ARG A 57 19.509 -6.599 -14.001 1.00 52.21 H new ATOM 0 HH12 ARG A 57 19.773 -8.319 -14.306 1.00 52.21 H new ATOM 0 HH21 ARG A 57 22.171 -7.801 -16.827 1.00 14.44 H new ATOM 0 HH22 ARG A 57 21.267 -8.995 -15.891 1.00 14.44 H new ATOM 783 N TRP A 58 21.462 -2.572 -11.318 1.00 14.21 N ATOM 784 CA TRP A 58 20.465 -2.263 -10.293 1.00 20.42 C ATOM 785 C TRP A 58 20.464 -0.810 -9.894 1.00 40.24 C ATOM 786 O TRP A 58 19.414 -0.170 -9.951 1.00 2.23 O ATOM 787 CB TRP A 58 20.561 -3.228 -9.102 1.00 3.11 C ATOM 788 CG TRP A 58 20.279 -4.655 -9.507 1.00 14.33 C ATOM 789 CD1 TRP A 58 20.959 -5.761 -9.112 1.00 21.12 C ATOM 790 CD2 TRP A 58 19.257 -5.124 -10.421 1.00 31.23 C ATOM 791 NE1 TRP A 58 20.453 -6.879 -9.725 1.00 25.45 N ATOM 792 CE2 TRP A 58 19.410 -6.515 -10.527 1.00 73.33 C ATOM 793 CE3 TRP A 58 18.230 -4.505 -11.163 1.00 12.43 C ATOM 794 CZ2 TRP A 58 18.595 -7.290 -11.336 1.00 22.13 C ATOM 795 CZ3 TRP A 58 17.426 -5.282 -11.955 1.00 23.52 C ATOM 796 CH2 TRP A 58 17.614 -6.656 -12.038 1.00 24.30 C ATOM 0 H TRP A 58 22.089 -3.335 -11.063 1.00 14.21 H new ATOM 0 HA TRP A 58 19.485 -2.428 -10.741 1.00 20.42 H new ATOM 0 HB2 TRP A 58 21.557 -3.165 -8.664 1.00 3.11 H new ATOM 0 HB3 TRP A 58 19.854 -2.923 -8.331 1.00 3.11 H new ATOM 0 HD1 TRP A 58 21.783 -5.761 -8.413 1.00 21.12 H new ATOM 0 HE1 TRP A 58 20.800 -7.830 -9.601 1.00 25.45 H new ATOM 0 HE3 TRP A 58 18.080 -3.437 -11.108 1.00 12.43 H new ATOM 0 HZ2 TRP A 58 18.732 -8.359 -11.408 1.00 22.13 H new ATOM 0 HZ3 TRP A 58 16.633 -4.819 -12.524 1.00 23.52 H new ATOM 0 HH2 TRP A 58 16.965 -7.237 -12.676 1.00 24.30 H new ATOM 807 N LEU A 59 21.634 -0.267 -9.580 1.00 32.43 N ATOM 808 CA LEU A 59 21.777 1.160 -9.188 1.00 2.03 C ATOM 809 C LEU A 59 21.119 2.066 -10.169 1.00 13.34 C ATOM 810 O LEU A 59 20.245 2.848 -9.824 1.00 1.44 O ATOM 811 CB LEU A 59 23.247 1.589 -9.103 1.00 65.44 C ATOM 812 CG LEU A 59 24.021 1.204 -7.868 1.00 53.23 C ATOM 813 CD1 LEU A 59 23.412 1.837 -6.640 1.00 24.44 C ATOM 814 CD2 LEU A 59 24.096 -0.286 -7.734 1.00 33.25 C ATOM 0 H LEU A 59 22.513 -0.785 -9.585 1.00 32.43 H new ATOM 0 HA LEU A 59 21.303 1.241 -8.210 1.00 2.03 H new ATOM 0 HB2 LEU A 59 23.767 1.175 -9.967 1.00 65.44 H new ATOM 0 HB3 LEU A 59 23.285 2.674 -9.198 1.00 65.44 H new ATOM 0 HG LEU A 59 25.039 1.580 -7.966 1.00 53.23 H new ATOM 0 HD11 LEU A 59 23.985 1.547 -5.759 1.00 24.44 H new ATOM 0 HD12 LEU A 59 23.429 2.922 -6.743 1.00 24.44 H new ATOM 0 HD13 LEU A 59 22.381 1.500 -6.530 1.00 24.44 H new ATOM 0 HD21 LEU A 59 24.659 -0.543 -6.836 1.00 33.25 H new ATOM 0 HD22 LEU A 59 23.089 -0.696 -7.660 1.00 33.25 H new ATOM 0 HD23 LEU A 59 24.595 -0.705 -8.608 1.00 33.25 H new ATOM 826 N HIS A 60 21.529 1.915 -11.391 1.00 15.34 N ATOM 827 CA HIS A 60 21.091 2.733 -12.482 1.00 31.43 C ATOM 828 C HIS A 60 19.594 2.521 -12.739 1.00 44.35 C ATOM 829 O HIS A 60 18.856 3.471 -13.022 1.00 5.54 O ATOM 830 CB HIS A 60 21.941 2.359 -13.698 1.00 44.52 C ATOM 831 CG HIS A 60 21.727 3.201 -14.937 1.00 34.14 C ATOM 832 ND1 HIS A 60 22.578 4.212 -15.338 1.00 40.31 N ATOM 833 CD2 HIS A 60 20.756 3.141 -15.884 1.00 0.05 C ATOM 834 CE1 HIS A 60 22.107 4.719 -16.483 1.00 34.33 C ATOM 835 NE2 HIS A 60 21.006 4.105 -16.857 1.00 51.34 N ATOM 0 H HIS A 60 22.199 1.197 -11.666 1.00 15.34 H new ATOM 0 HA HIS A 60 21.218 3.792 -12.259 1.00 31.43 H new ATOM 0 HB2 HIS A 60 22.992 2.422 -13.416 1.00 44.52 H new ATOM 0 HB3 HIS A 60 21.741 1.318 -13.951 1.00 44.52 H new ATOM 0 HD2 HIS A 60 19.922 2.455 -15.883 1.00 0.05 H new ATOM 0 HE1 HIS A 60 22.571 5.527 -17.029 1.00 34.33 H new ATOM 0 HE2 HIS A 60 20.449 4.296 -17.690 1.00 51.34 H new ATOM 843 N TRP A 61 19.162 1.290 -12.571 1.00 64.24 N ATOM 844 CA TRP A 61 17.802 0.901 -12.814 1.00 14.41 C ATOM 845 C TRP A 61 16.816 1.592 -11.857 1.00 22.22 C ATOM 846 O TRP A 61 15.819 2.134 -12.296 1.00 31.22 O ATOM 847 CB TRP A 61 17.660 -0.617 -12.764 1.00 1.10 C ATOM 848 CG TRP A 61 16.284 -1.075 -13.121 1.00 24.22 C ATOM 849 CD1 TRP A 61 15.687 -0.996 -14.345 1.00 64.11 C ATOM 850 CD2 TRP A 61 15.337 -1.671 -12.250 1.00 51.34 C ATOM 851 NE1 TRP A 61 14.411 -1.492 -14.276 1.00 2.32 N ATOM 852 CE2 TRP A 61 14.174 -1.919 -12.998 1.00 44.34 C ATOM 853 CE3 TRP A 61 15.358 -2.015 -10.910 1.00 42.41 C ATOM 854 CZ2 TRP A 61 13.043 -2.495 -12.440 1.00 1.14 C ATOM 855 CZ3 TRP A 61 14.244 -2.586 -10.361 1.00 2.13 C ATOM 856 CH2 TRP A 61 13.100 -2.820 -11.124 1.00 22.34 C ATOM 0 H TRP A 61 19.759 0.525 -12.257 1.00 64.24 H new ATOM 0 HA TRP A 61 17.542 1.236 -13.818 1.00 14.41 H new ATOM 0 HB2 TRP A 61 18.379 -1.069 -13.448 1.00 1.10 H new ATOM 0 HB3 TRP A 61 17.908 -0.969 -11.763 1.00 1.10 H new ATOM 0 HD1 TRP A 61 16.151 -0.601 -15.237 1.00 64.11 H new ATOM 0 HE1 TRP A 61 13.748 -1.536 -15.050 1.00 2.32 H new ATOM 0 HE3 TRP A 61 16.238 -1.836 -10.309 1.00 42.41 H new ATOM 0 HZ2 TRP A 61 12.155 -2.677 -13.027 1.00 1.14 H new ATOM 0 HZ3 TRP A 61 14.250 -2.861 -9.317 1.00 2.13 H new ATOM 0 HH2 TRP A 61 12.238 -3.271 -10.655 1.00 22.34 H new ATOM 867 N PHE A 62 17.070 1.569 -10.570 1.00 32.20 N ATOM 868 CA PHE A 62 16.182 2.278 -9.642 1.00 62.52 C ATOM 869 C PHE A 62 16.479 3.756 -9.527 1.00 55.01 C ATOM 870 O PHE A 62 15.593 4.538 -9.175 1.00 61.43 O ATOM 871 CB PHE A 62 15.930 1.596 -8.277 1.00 24.43 C ATOM 872 CG PHE A 62 16.971 0.660 -7.828 1.00 1.13 C ATOM 873 CD1 PHE A 62 18.133 1.103 -7.233 1.00 11.25 C ATOM 874 CD2 PHE A 62 16.783 -0.685 -8.021 1.00 13.51 C ATOM 875 CE1 PHE A 62 19.099 0.195 -6.852 1.00 43.11 C ATOM 876 CE2 PHE A 62 17.721 -1.585 -7.641 1.00 22.54 C ATOM 877 CZ PHE A 62 18.881 -1.157 -7.062 1.00 45.54 C ATOM 0 H PHE A 62 17.857 1.086 -10.138 1.00 32.20 H new ATOM 0 HA PHE A 62 15.214 2.197 -10.136 1.00 62.52 H new ATOM 0 HB2 PHE A 62 15.815 2.372 -7.520 1.00 24.43 H new ATOM 0 HB3 PHE A 62 14.983 1.059 -8.330 1.00 24.43 H new ATOM 0 HD1 PHE A 62 18.287 2.159 -7.066 1.00 11.25 H new ATOM 0 HD2 PHE A 62 15.871 -1.032 -8.484 1.00 13.51 H new ATOM 0 HE1 PHE A 62 20.016 0.535 -6.394 1.00 43.11 H new ATOM 0 HE2 PHE A 62 17.552 -2.640 -7.796 1.00 22.54 H new ATOM 0 HZ PHE A 62 19.632 -1.875 -6.767 1.00 45.54 H new ATOM 887 N ARG A 63 17.717 4.150 -9.834 1.00 71.11 N ATOM 888 CA ARG A 63 18.145 5.568 -9.800 1.00 1.13 C ATOM 889 C ARG A 63 17.160 6.458 -10.582 1.00 51.35 C ATOM 890 O ARG A 63 16.914 7.595 -10.195 1.00 3.01 O ATOM 891 CB ARG A 63 19.562 5.725 -10.394 1.00 61.11 C ATOM 892 CG ARG A 63 20.182 7.119 -10.263 1.00 72.45 C ATOM 893 CD ARG A 63 20.474 7.479 -8.807 1.00 40.21 C ATOM 894 NE ARG A 63 21.055 8.842 -8.673 1.00 11.02 N ATOM 895 CZ ARG A 63 21.518 9.397 -7.514 1.00 74.32 C ATOM 896 NH1 ARG A 63 21.531 8.699 -6.398 1.00 51.31 N ATOM 897 NH2 ARG A 63 21.973 10.645 -7.501 1.00 13.00 N ATOM 0 H ARG A 63 18.456 3.505 -10.113 1.00 71.11 H new ATOM 0 HA ARG A 63 18.157 5.885 -8.757 1.00 1.13 H new ATOM 0 HB2 ARG A 63 20.222 5.006 -9.909 1.00 61.11 H new ATOM 0 HB3 ARG A 63 19.525 5.461 -11.451 1.00 61.11 H new ATOM 0 HG2 ARG A 63 21.106 7.161 -10.839 1.00 72.45 H new ATOM 0 HG3 ARG A 63 19.506 7.859 -10.691 1.00 72.45 H new ATOM 0 HD2 ARG A 63 19.553 7.420 -8.228 1.00 40.21 H new ATOM 0 HD3 ARG A 63 21.164 6.748 -8.385 1.00 40.21 H new ATOM 0 HE ARG A 63 21.112 9.410 -9.518 1.00 11.02 H new ATOM 0 HH11 ARG A 63 21.194 7.736 -6.395 1.00 51.31 H new ATOM 0 HH12 ARG A 63 21.878 9.121 -5.537 1.00 51.31 H new ATOM 0 HH21 ARG A 63 21.978 11.195 -8.360 1.00 13.00 H new ATOM 0 HH22 ARG A 63 22.317 11.053 -6.632 1.00 13.00 H new ATOM 911 N LYS A 64 16.559 5.897 -11.643 1.00 1.33 N ATOM 912 CA LYS A 64 15.592 6.618 -12.478 1.00 44.32 C ATOM 913 C LYS A 64 14.299 7.024 -11.731 1.00 40.14 C ATOM 914 O LYS A 64 13.542 7.837 -12.217 1.00 20.23 O ATOM 915 CB LYS A 64 15.329 5.879 -13.831 1.00 24.22 C ATOM 916 CG LYS A 64 14.742 4.469 -13.745 1.00 60.45 C ATOM 917 CD LYS A 64 13.275 4.489 -13.381 1.00 24.34 C ATOM 918 CE LYS A 64 12.651 3.077 -13.221 1.00 13.11 C ATOM 919 NZ LYS A 64 13.171 2.330 -12.036 1.00 45.03 N ATOM 0 H LYS A 64 16.730 4.937 -11.943 1.00 1.33 H new ATOM 0 HA LYS A 64 16.059 7.570 -12.731 1.00 44.32 H new ATOM 0 HB2 LYS A 64 14.653 6.492 -14.427 1.00 24.22 H new ATOM 0 HB3 LYS A 64 16.272 5.822 -14.375 1.00 24.22 H new ATOM 0 HG2 LYS A 64 14.872 3.963 -14.702 1.00 60.45 H new ATOM 0 HG3 LYS A 64 15.292 3.892 -13.002 1.00 60.45 H new ATOM 0 HD2 LYS A 64 13.149 5.040 -12.449 1.00 24.34 H new ATOM 0 HD3 LYS A 64 12.727 5.034 -14.150 1.00 24.34 H new ATOM 0 HE2 LYS A 64 11.569 3.174 -13.134 1.00 13.11 H new ATOM 0 HE3 LYS A 64 12.848 2.496 -14.122 1.00 13.11 H new ATOM 0 HZ1 LYS A 64 12.447 1.663 -11.701 1.00 45.03 H new ATOM 0 HZ2 LYS A 64 14.027 1.804 -12.305 1.00 45.03 H new ATOM 0 HZ3 LYS A 64 13.402 3.002 -11.276 1.00 45.03 H new ATOM 933 N ASN A 65 14.068 6.452 -10.549 1.00 31.33 N ATOM 934 CA ASN A 65 12.889 6.820 -9.740 1.00 0.41 C ATOM 935 C ASN A 65 13.304 7.707 -8.587 1.00 72.55 C ATOM 936 O ASN A 65 12.506 8.011 -7.708 1.00 14.33 O ATOM 937 CB ASN A 65 12.163 5.599 -9.155 1.00 1.00 C ATOM 938 CG ASN A 65 11.513 4.693 -10.166 1.00 20.14 C ATOM 939 OD1 ASN A 65 11.111 5.108 -11.227 1.00 24.20 O ATOM 940 ND2 ASN A 65 11.408 3.430 -9.831 1.00 22.44 N ATOM 0 H ASN A 65 14.667 5.742 -10.129 1.00 31.33 H new ATOM 0 HA ASN A 65 12.208 7.339 -10.415 1.00 0.41 H new ATOM 0 HB2 ASN A 65 12.878 5.015 -8.575 1.00 1.00 H new ATOM 0 HB3 ASN A 65 11.399 5.949 -8.461 1.00 1.00 H new ATOM 0 HD21 ASN A 65 10.977 2.766 -10.474 1.00 22.44 H new ATOM 0 HD22 ASN A 65 11.758 3.111 -8.927 1.00 22.44 H new ATOM 947 N GLY A 66 14.558 8.105 -8.579 1.00 3.43 N ATOM 948 CA GLY A 66 15.047 8.949 -7.519 1.00 34.12 C ATOM 949 C GLY A 66 15.624 8.160 -6.360 1.00 62.42 C ATOM 950 O GLY A 66 15.678 8.655 -5.229 1.00 53.02 O ATOM 0 H GLY A 66 15.249 7.859 -9.288 1.00 3.43 H new ATOM 0 HA2 GLY A 66 15.812 9.616 -7.915 1.00 34.12 H new ATOM 0 HA3 GLY A 66 14.234 9.577 -7.156 1.00 34.12 H new ATOM 954 N TYR A 67 16.045 6.935 -6.624 1.00 51.32 N ATOM 955 CA TYR A 67 16.667 6.116 -5.605 1.00 14.01 C ATOM 956 C TYR A 67 18.128 6.430 -5.507 1.00 35.43 C ATOM 957 O TYR A 67 18.815 6.553 -6.512 1.00 0.42 O ATOM 958 CB TYR A 67 16.398 4.643 -5.837 1.00 34.54 C ATOM 959 CG TYR A 67 14.948 4.303 -5.607 1.00 51.04 C ATOM 960 CD1 TYR A 67 14.428 4.347 -4.348 1.00 44.13 C ATOM 961 CD2 TYR A 67 14.108 3.961 -6.637 1.00 12.15 C ATOM 962 CE1 TYR A 67 13.118 4.056 -4.096 1.00 2.41 C ATOM 963 CE2 TYR A 67 12.778 3.665 -6.399 1.00 60.43 C ATOM 964 CZ TYR A 67 12.298 3.718 -5.114 1.00 42.53 C ATOM 965 OH TYR A 67 10.993 3.430 -4.851 1.00 74.21 O ATOM 0 H TYR A 67 15.966 6.488 -7.537 1.00 51.32 H new ATOM 0 HA TYR A 67 16.218 6.356 -4.641 1.00 14.01 H new ATOM 0 HB2 TYR A 67 16.678 4.377 -6.856 1.00 34.54 H new ATOM 0 HB3 TYR A 67 17.022 4.049 -5.170 1.00 34.54 H new ATOM 0 HD1 TYR A 67 15.072 4.620 -3.525 1.00 44.13 H new ATOM 0 HD2 TYR A 67 14.490 3.922 -7.646 1.00 12.15 H new ATOM 0 HE1 TYR A 67 12.739 4.096 -3.086 1.00 2.41 H new ATOM 0 HE2 TYR A 67 12.124 3.395 -7.215 1.00 60.43 H new ATOM 0 HH TYR A 67 10.533 3.206 -5.687 1.00 74.21 H new ATOM 975 N ARG A 68 18.587 6.573 -4.307 1.00 14.00 N ATOM 976 CA ARG A 68 19.911 7.064 -4.032 1.00 33.43 C ATOM 977 C ARG A 68 20.631 6.109 -3.144 1.00 21.40 C ATOM 978 O ARG A 68 20.166 5.838 -2.053 1.00 60.41 O ATOM 979 CB ARG A 68 19.776 8.365 -3.319 1.00 73.31 C ATOM 980 CG ARG A 68 19.093 9.468 -4.112 1.00 3.14 C ATOM 981 CD ARG A 68 18.127 10.223 -3.232 1.00 35.53 C ATOM 982 NE ARG A 68 16.960 9.384 -2.907 1.00 5.12 N ATOM 983 CZ ARG A 68 16.718 8.774 -1.738 1.00 31.11 C ATOM 984 NH1 ARG A 68 17.639 8.786 -0.766 1.00 24.24 N ATOM 985 NH2 ARG A 68 15.580 8.100 -1.582 1.00 64.31 N ATOM 0 H ARG A 68 18.048 6.350 -3.470 1.00 14.00 H new ATOM 0 HA ARG A 68 20.467 7.179 -4.963 1.00 33.43 H new ATOM 0 HB2 ARG A 68 19.216 8.201 -2.399 1.00 73.31 H new ATOM 0 HB3 ARG A 68 20.770 8.708 -3.031 1.00 73.31 H new ATOM 0 HG2 ARG A 68 19.840 10.152 -4.515 1.00 3.14 H new ATOM 0 HG3 ARG A 68 18.562 9.039 -4.962 1.00 3.14 H new ATOM 0 HD2 ARG A 68 18.627 10.532 -2.314 1.00 35.53 H new ATOM 0 HD3 ARG A 68 17.800 11.132 -3.737 1.00 35.53 H new ATOM 0 HE ARG A 68 16.268 9.255 -3.645 1.00 5.12 H new ATOM 0 HH11 ARG A 68 18.530 9.261 -0.913 1.00 24.24 H new ATOM 0 HH12 ARG A 68 17.450 8.320 0.122 1.00 24.24 H new ATOM 0 HH21 ARG A 68 14.906 8.053 -2.346 1.00 64.31 H new ATOM 0 HH22 ARG A 68 15.382 7.631 -0.698 1.00 64.31 H new ATOM 999 N LEU A 69 21.746 5.598 -3.617 1.00 62.55 N ATOM 1000 CA LEU A 69 22.530 4.611 -2.913 1.00 73.11 C ATOM 1001 C LEU A 69 23.815 4.403 -3.622 1.00 34.10 C ATOM 1002 O LEU A 69 23.902 4.610 -4.841 1.00 74.42 O ATOM 1003 CB LEU A 69 21.757 3.260 -2.692 1.00 53.21 C ATOM 1004 CG LEU A 69 21.245 2.445 -3.925 1.00 3.01 C ATOM 1005 CD1 LEU A 69 20.466 1.252 -3.438 1.00 12.40 C ATOM 1006 CD2 LEU A 69 20.344 3.257 -4.857 1.00 14.35 C ATOM 0 H LEU A 69 22.140 5.863 -4.520 1.00 62.55 H new ATOM 0 HA LEU A 69 22.733 4.994 -1.913 1.00 73.11 H new ATOM 0 HB2 LEU A 69 22.409 2.603 -2.116 1.00 53.21 H new ATOM 0 HB3 LEU A 69 20.892 3.479 -2.066 1.00 53.21 H new ATOM 0 HG LEU A 69 22.127 2.151 -4.494 1.00 3.01 H new ATOM 0 HD11 LEU A 69 20.106 0.679 -4.293 1.00 12.40 H new ATOM 0 HD12 LEU A 69 21.110 0.622 -2.825 1.00 12.40 H new ATOM 0 HD13 LEU A 69 19.617 1.590 -2.844 1.00 12.40 H new ATOM 0 HD21 LEU A 69 20.025 2.631 -5.691 1.00 14.35 H new ATOM 0 HD22 LEU A 69 19.469 3.603 -4.307 1.00 14.35 H new ATOM 0 HD23 LEU A 69 20.895 4.116 -5.239 1.00 14.35 H new ATOM 1018 N THR A 70 24.822 4.077 -2.873 1.00 53.23 N ATOM 1019 CA THR A 70 26.074 3.780 -3.426 1.00 21.32 C ATOM 1020 C THR A 70 26.237 2.278 -3.556 1.00 35.33 C ATOM 1021 O THR A 70 25.314 1.523 -3.272 1.00 32.24 O ATOM 1022 CB THR A 70 27.258 4.494 -2.703 1.00 24.15 C ATOM 1023 OG1 THR A 70 27.102 4.464 -1.282 1.00 72.51 O ATOM 1024 CG2 THR A 70 27.379 5.937 -3.169 1.00 32.32 C ATOM 0 H THR A 70 24.782 4.014 -1.856 1.00 53.23 H new ATOM 0 HA THR A 70 26.110 4.198 -4.432 1.00 21.32 H new ATOM 0 HB THR A 70 28.168 3.952 -2.962 1.00 24.15 H new ATOM 0 HG1 THR A 70 27.241 3.550 -0.957 1.00 72.51 H new ATOM 0 HG21 THR A 70 28.210 6.417 -2.653 1.00 32.32 H new ATOM 0 HG22 THR A 70 27.558 5.958 -4.244 1.00 32.32 H new ATOM 0 HG23 THR A 70 26.455 6.471 -2.944 1.00 32.32 H new ATOM 1032 N LEU A 71 27.363 1.853 -4.004 1.00 72.25 N ATOM 1033 CA LEU A 71 27.533 0.478 -4.366 1.00 34.25 C ATOM 1034 C LEU A 71 27.768 -0.444 -3.172 1.00 12.22 C ATOM 1035 O LEU A 71 27.359 -1.600 -3.167 1.00 12.23 O ATOM 1036 CB LEU A 71 28.662 0.295 -5.394 1.00 55.41 C ATOM 1037 CG LEU A 71 28.650 1.216 -6.641 1.00 61.51 C ATOM 1038 CD1 LEU A 71 27.261 1.341 -7.217 1.00 3.53 C ATOM 1039 CD2 LEU A 71 29.185 2.581 -6.314 1.00 35.43 C ATOM 0 H LEU A 71 28.190 2.436 -4.132 1.00 72.25 H new ATOM 0 HA LEU A 71 26.585 0.186 -4.817 1.00 34.25 H new ATOM 0 HB2 LEU A 71 29.612 0.438 -4.879 1.00 55.41 H new ATOM 0 HB3 LEU A 71 28.639 -0.739 -5.739 1.00 55.41 H new ATOM 0 HG LEU A 71 29.298 0.754 -7.386 1.00 61.51 H new ATOM 0 HD11 LEU A 71 27.286 1.993 -8.090 1.00 3.53 H new ATOM 0 HD12 LEU A 71 26.899 0.356 -7.511 1.00 3.53 H new ATOM 0 HD13 LEU A 71 26.593 1.765 -6.467 1.00 3.53 H new ATOM 0 HD21 LEU A 71 29.164 3.204 -7.208 1.00 35.43 H new ATOM 0 HD22 LEU A 71 28.569 3.037 -5.539 1.00 35.43 H new ATOM 0 HD23 LEU A 71 30.211 2.494 -5.957 1.00 35.43 H new ATOM 1051 N ARG A 72 28.379 0.091 -2.150 1.00 1.43 N ATOM 1052 CA ARG A 72 28.937 -0.719 -1.086 1.00 13.23 C ATOM 1053 C ARG A 72 27.925 -1.137 -0.033 1.00 32.24 C ATOM 1054 O ARG A 72 28.094 -2.183 0.573 1.00 23.30 O ATOM 1055 CB ARG A 72 30.179 -0.030 -0.492 1.00 43.41 C ATOM 1056 CG ARG A 72 30.904 -0.808 0.605 1.00 34.42 C ATOM 1057 CD ARG A 72 31.413 -2.192 0.136 1.00 15.40 C ATOM 1058 NE ARG A 72 32.371 -2.119 -0.999 1.00 42.24 N ATOM 1059 CZ ARG A 72 32.768 -3.182 -1.761 1.00 43.35 C ATOM 1060 NH1 ARG A 72 32.350 -4.420 -1.474 1.00 35.31 N ATOM 1061 NH2 ARG A 72 33.593 -3.001 -2.798 1.00 12.40 N ATOM 0 H ARG A 72 28.507 1.095 -2.026 1.00 1.43 H new ATOM 0 HA ARG A 72 29.253 -1.663 -1.531 1.00 13.23 H new ATOM 0 HB2 ARG A 72 30.884 0.167 -1.299 1.00 43.41 H new ATOM 0 HB3 ARG A 72 29.878 0.937 -0.089 1.00 43.41 H new ATOM 0 HG2 ARG A 72 31.749 -0.219 0.961 1.00 34.42 H new ATOM 0 HG3 ARG A 72 30.230 -0.943 1.451 1.00 34.42 H new ATOM 0 HD2 ARG A 72 31.893 -2.697 0.974 1.00 15.40 H new ATOM 0 HD3 ARG A 72 30.560 -2.803 -0.158 1.00 15.40 H new ATOM 0 HE ARG A 72 32.762 -1.205 -1.226 1.00 42.24 H new ATOM 0 HH11 ARG A 72 31.729 -4.577 -0.680 1.00 35.31 H new ATOM 0 HH12 ARG A 72 32.652 -5.206 -2.049 1.00 35.31 H new ATOM 0 HH21 ARG A 72 33.930 -2.065 -3.024 1.00 12.40 H new ATOM 0 HH22 ARG A 72 33.885 -3.799 -3.362 1.00 12.40 H new ATOM 1075 N GLU A 73 26.877 -0.375 0.163 1.00 41.23 N ATOM 1076 CA GLU A 73 25.856 -0.757 1.132 1.00 40.32 C ATOM 1077 C GLU A 73 25.103 -1.998 0.656 1.00 64.45 C ATOM 1078 O GLU A 73 24.711 -2.860 1.446 1.00 33.24 O ATOM 1079 CB GLU A 73 24.906 0.390 1.433 1.00 35.21 C ATOM 1080 CG GLU A 73 24.431 1.047 0.197 1.00 64.51 C ATOM 1081 CD GLU A 73 25.241 2.249 -0.189 1.00 13.00 C ATOM 1082 OE1 GLU A 73 26.429 2.092 -0.555 1.00 13.34 O ATOM 1083 OE2 GLU A 73 24.704 3.368 -0.175 1.00 1.42 O ATOM 0 H GLU A 73 26.701 0.504 -0.324 1.00 41.23 H new ATOM 0 HA GLU A 73 26.359 -1.003 2.067 1.00 40.32 H new ATOM 0 HB2 GLU A 73 24.052 0.016 1.997 1.00 35.21 H new ATOM 0 HB3 GLU A 73 25.409 1.123 2.064 1.00 35.21 H new ATOM 0 HG2 GLU A 73 24.453 0.326 -0.620 1.00 64.51 H new ATOM 0 HG3 GLU A 73 23.391 1.346 0.330 1.00 64.51 H new ATOM 1090 N LEU A 74 24.989 -2.099 -0.651 1.00 0.00 N ATOM 1091 CA LEU A 74 24.350 -3.213 -1.328 1.00 51.43 C ATOM 1092 C LEU A 74 25.186 -4.459 -1.180 1.00 0.01 C ATOM 1093 O LEU A 74 24.667 -5.567 -1.111 1.00 72.52 O ATOM 1094 CB LEU A 74 24.217 -2.849 -2.787 1.00 64.34 C ATOM 1095 CG LEU A 74 23.326 -1.656 -3.046 1.00 12.10 C ATOM 1096 CD1 LEU A 74 23.711 -0.994 -4.323 1.00 20.23 C ATOM 1097 CD2 LEU A 74 21.881 -2.100 -3.115 1.00 60.41 C ATOM 0 H LEU A 74 25.347 -1.391 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 74 23.370 -3.410 -0.893 1.00 51.43 H new ATOM 0 HB2 LEU A 74 25.208 -2.643 -3.191 1.00 64.34 H new ATOM 0 HB3 LEU A 74 23.823 -3.708 -3.330 1.00 64.34 H new ATOM 0 HG LEU A 74 23.445 -0.944 -2.229 1.00 12.10 H new ATOM 0 HD11 LEU A 74 23.062 -0.136 -4.498 1.00 20.23 H new ATOM 0 HD12 LEU A 74 24.746 -0.659 -4.261 1.00 20.23 H new ATOM 0 HD13 LEU A 74 23.607 -1.702 -5.145 1.00 20.23 H new ATOM 0 HD21 LEU A 74 21.243 -1.236 -3.302 1.00 60.41 H new ATOM 0 HD22 LEU A 74 21.760 -2.822 -3.923 1.00 60.41 H new ATOM 0 HD23 LEU A 74 21.597 -2.563 -2.170 1.00 60.41 H new ATOM 1109 N TYR A 75 26.482 -4.255 -1.127 1.00 2.03 N ATOM 1110 CA TYR A 75 27.434 -5.332 -0.962 1.00 54.02 C ATOM 1111 C TYR A 75 27.529 -5.733 0.486 1.00 43.22 C ATOM 1112 O TYR A 75 27.773 -6.886 0.799 1.00 73.32 O ATOM 1113 CB TYR A 75 28.819 -4.895 -1.405 1.00 22.32 C ATOM 1114 CG TYR A 75 28.990 -4.581 -2.854 1.00 14.43 C ATOM 1115 CD1 TYR A 75 28.397 -5.339 -3.845 1.00 52.22 C ATOM 1116 CD2 TYR A 75 29.772 -3.520 -3.223 1.00 14.24 C ATOM 1117 CE1 TYR A 75 28.597 -5.017 -5.172 1.00 64.43 C ATOM 1118 CE2 TYR A 75 29.984 -3.200 -4.532 1.00 52.11 C ATOM 1119 CZ TYR A 75 29.394 -3.945 -5.504 1.00 53.41 C ATOM 1120 OH TYR A 75 29.645 -3.649 -6.811 1.00 35.33 O ATOM 0 H TYR A 75 26.909 -3.332 -1.198 1.00 2.03 H new ATOM 0 HA TYR A 75 27.088 -6.168 -1.569 1.00 54.02 H new ATOM 0 HB2 TYR A 75 29.098 -4.012 -0.830 1.00 22.32 H new ATOM 0 HB3 TYR A 75 29.525 -5.683 -1.142 1.00 22.32 H new ATOM 0 HD1 TYR A 75 27.777 -6.183 -3.581 1.00 52.22 H new ATOM 0 HD2 TYR A 75 30.235 -2.918 -2.455 1.00 14.24 H new ATOM 0 HE1 TYR A 75 28.129 -5.605 -5.948 1.00 64.43 H new ATOM 0 HE2 TYR A 75 30.614 -2.363 -4.794 1.00 52.11 H new ATOM 0 HH TYR A 75 30.225 -2.861 -6.862 1.00 35.33 H new ATOM 1130 N ALA A 76 27.368 -4.758 1.360 1.00 71.11 N ATOM 1131 CA ALA A 76 27.502 -4.981 2.776 1.00 20.43 C ATOM 1132 C ALA A 76 26.357 -5.829 3.300 1.00 75.24 C ATOM 1133 O ALA A 76 26.558 -6.744 4.089 1.00 23.15 O ATOM 1134 CB ALA A 76 27.597 -3.664 3.532 1.00 14.10 C ATOM 0 H ALA A 76 27.142 -3.797 1.105 1.00 71.11 H new ATOM 0 HA ALA A 76 28.430 -5.527 2.943 1.00 20.43 H new ATOM 0 HB1 ALA A 76 27.697 -3.863 4.599 1.00 14.10 H new ATOM 0 HB2 ALA A 76 28.466 -3.106 3.184 1.00 14.10 H new ATOM 0 HB3 ALA A 76 26.695 -3.077 3.356 1.00 14.10 H new ATOM 1140 N ALA A 77 25.161 -5.519 2.859 1.00 31.41 N ATOM 1141 CA ALA A 77 24.011 -6.291 3.232 1.00 33.22 C ATOM 1142 C ALA A 77 23.197 -6.636 1.995 1.00 24.20 C ATOM 1143 O ALA A 77 22.213 -5.963 1.676 1.00 44.41 O ATOM 1144 CB ALA A 77 23.161 -5.560 4.269 1.00 3.31 C ATOM 0 H ALA A 77 24.964 -4.733 2.239 1.00 31.41 H new ATOM 0 HA ALA A 77 24.351 -7.217 3.695 1.00 33.22 H new ATOM 0 HB1 ALA A 77 22.298 -6.173 4.529 1.00 3.31 H new ATOM 0 HB2 ALA A 77 23.757 -5.374 5.163 1.00 3.31 H new ATOM 0 HB3 ALA A 77 22.820 -4.610 3.856 1.00 3.31 H new ATOM 1150 N PRO A 78 23.616 -7.659 1.235 1.00 44.03 N ATOM 1151 CA PRO A 78 22.928 -8.046 0.027 1.00 20.31 C ATOM 1152 C PRO A 78 21.700 -8.857 0.342 1.00 12.33 C ATOM 1153 O PRO A 78 21.746 -10.088 0.395 1.00 15.45 O ATOM 1154 CB PRO A 78 23.952 -8.893 -0.737 1.00 75.15 C ATOM 1155 CG PRO A 78 25.194 -8.901 0.109 1.00 31.53 C ATOM 1156 CD PRO A 78 24.782 -8.501 1.487 1.00 4.05 C ATOM 0 HA PRO A 78 22.584 -7.185 -0.546 1.00 20.31 H new ATOM 0 HB2 PRO A 78 23.581 -9.906 -0.895 1.00 75.15 H new ATOM 0 HB3 PRO A 78 24.153 -8.470 -1.721 1.00 75.15 H new ATOM 0 HG2 PRO A 78 25.651 -9.890 0.114 1.00 31.53 H new ATOM 0 HG3 PRO A 78 25.936 -8.209 -0.288 1.00 31.53 H new ATOM 0 HD2 PRO A 78 24.533 -9.365 2.103 1.00 4.05 H new ATOM 0 HD3 PRO A 78 25.572 -7.957 2.005 1.00 4.05 H new ATOM 1164 N THR A 79 20.627 -8.154 0.560 1.00 62.51 N ATOM 1165 CA THR A 79 19.351 -8.693 0.944 1.00 12.00 C ATOM 1166 C THR A 79 18.309 -7.701 0.461 1.00 45.51 C ATOM 1167 O THR A 79 18.518 -6.506 0.616 1.00 43.41 O ATOM 1168 CB THR A 79 19.260 -8.784 2.504 1.00 1.00 C ATOM 1169 OG1 THR A 79 19.686 -7.543 3.086 1.00 61.42 O ATOM 1170 CG2 THR A 79 20.096 -9.918 3.079 1.00 0.11 C ATOM 0 H THR A 79 20.616 -7.138 0.471 1.00 62.51 H new ATOM 0 HA THR A 79 19.205 -9.688 0.523 1.00 12.00 H new ATOM 0 HB THR A 79 18.218 -8.989 2.750 1.00 1.00 H new ATOM 0 HG1 THR A 79 19.627 -7.602 4.062 1.00 61.42 H new ATOM 0 HG21 THR A 79 19.993 -9.932 4.164 1.00 0.11 H new ATOM 0 HG22 THR A 79 19.751 -10.868 2.670 1.00 0.11 H new ATOM 0 HG23 THR A 79 21.143 -9.768 2.815 1.00 0.11 H new ATOM 1178 N LEU A 80 17.203 -8.149 -0.115 1.00 4.44 N ATOM 1179 CA LEU A 80 16.200 -7.192 -0.604 1.00 21.22 C ATOM 1180 C LEU A 80 15.566 -6.466 0.535 1.00 2.50 C ATOM 1181 O LEU A 80 15.141 -5.326 0.403 1.00 40.35 O ATOM 1182 CB LEU A 80 15.144 -7.840 -1.435 1.00 51.43 C ATOM 1183 CG LEU A 80 15.646 -8.530 -2.674 1.00 73.43 C ATOM 1184 CD1 LEU A 80 14.512 -9.216 -3.373 1.00 64.41 C ATOM 1185 CD2 LEU A 80 16.296 -7.540 -3.623 1.00 42.34 C ATOM 0 H LEU A 80 16.974 -9.133 -0.256 1.00 4.44 H new ATOM 0 HA LEU A 80 16.732 -6.485 -1.240 1.00 21.22 H new ATOM 0 HB2 LEU A 80 14.615 -8.568 -0.820 1.00 51.43 H new ATOM 0 HB3 LEU A 80 14.417 -7.082 -1.728 1.00 51.43 H new ATOM 0 HG LEU A 80 16.392 -9.265 -2.372 1.00 73.43 H new ATOM 0 HD11 LEU A 80 14.884 -9.713 -4.269 1.00 64.41 H new ATOM 0 HD12 LEU A 80 14.067 -9.955 -2.706 1.00 64.41 H new ATOM 0 HD13 LEU A 80 13.758 -8.480 -3.653 1.00 64.41 H new ATOM 0 HD21 LEU A 80 16.650 -8.065 -4.510 1.00 42.34 H new ATOM 0 HD22 LEU A 80 15.567 -6.784 -3.915 1.00 42.34 H new ATOM 0 HD23 LEU A 80 17.138 -7.059 -3.126 1.00 42.34 H new ATOM 1197 N ALA A 81 15.540 -7.141 1.658 1.00 72.15 N ATOM 1198 CA ALA A 81 15.052 -6.578 2.908 1.00 12.01 C ATOM 1199 C ALA A 81 15.793 -5.270 3.239 1.00 31.12 C ATOM 1200 O ALA A 81 15.171 -4.249 3.542 1.00 2.02 O ATOM 1201 CB ALA A 81 15.218 -7.587 4.036 1.00 35.42 C ATOM 0 H ALA A 81 15.859 -8.107 1.738 1.00 72.15 H new ATOM 0 HA ALA A 81 13.992 -6.349 2.797 1.00 12.01 H new ATOM 0 HB1 ALA A 81 14.850 -7.156 4.967 1.00 35.42 H new ATOM 0 HB2 ALA A 81 14.651 -8.488 3.804 1.00 35.42 H new ATOM 0 HB3 ALA A 81 16.273 -7.840 4.145 1.00 35.42 H new ATOM 1207 N ALA A 82 17.121 -5.297 3.140 1.00 15.10 N ATOM 1208 CA ALA A 82 17.918 -4.112 3.402 1.00 64.44 C ATOM 1209 C ALA A 82 17.949 -3.202 2.185 1.00 72.54 C ATOM 1210 O ALA A 82 17.974 -1.977 2.320 1.00 2.34 O ATOM 1211 CB ALA A 82 19.329 -4.479 3.828 1.00 73.32 C ATOM 0 H ALA A 82 17.660 -6.124 2.882 1.00 15.10 H new ATOM 0 HA ALA A 82 17.448 -3.573 4.225 1.00 64.44 H new ATOM 0 HB1 ALA A 82 19.900 -3.570 4.017 1.00 73.32 H new ATOM 0 HB2 ALA A 82 19.290 -5.078 4.738 1.00 73.32 H new ATOM 0 HB3 ALA A 82 19.811 -5.052 3.036 1.00 73.32 H new ATOM 1217 N TRP A 83 17.923 -3.798 0.995 1.00 74.32 N ATOM 1218 CA TRP A 83 17.943 -3.033 -0.247 1.00 25.22 C ATOM 1219 C TRP A 83 16.726 -2.153 -0.386 1.00 63.53 C ATOM 1220 O TRP A 83 16.835 -1.067 -0.878 1.00 52.04 O ATOM 1221 CB TRP A 83 18.111 -3.906 -1.496 1.00 25.43 C ATOM 1222 CG TRP A 83 19.457 -4.574 -1.637 1.00 63.25 C ATOM 1223 CD1 TRP A 83 20.495 -4.560 -0.746 1.00 25.44 C ATOM 1224 CD2 TRP A 83 19.902 -5.350 -2.751 1.00 25.33 C ATOM 1225 NE1 TRP A 83 21.547 -5.287 -1.237 1.00 0.42 N ATOM 1226 CE2 TRP A 83 21.210 -5.781 -2.467 1.00 12.01 C ATOM 1227 CE3 TRP A 83 19.316 -5.722 -3.961 1.00 4.41 C ATOM 1228 CZ2 TRP A 83 21.939 -6.569 -3.350 1.00 64.12 C ATOM 1229 CZ3 TRP A 83 20.040 -6.502 -4.837 1.00 64.33 C ATOM 1230 CH2 TRP A 83 21.337 -6.918 -4.527 1.00 52.04 C ATOM 0 H TRP A 83 17.888 -4.809 0.866 1.00 74.32 H new ATOM 0 HA TRP A 83 18.827 -2.399 -0.178 1.00 25.22 H new ATOM 0 HB2 TRP A 83 17.340 -4.676 -1.488 1.00 25.43 H new ATOM 0 HB3 TRP A 83 17.935 -3.289 -2.377 1.00 25.43 H new ATOM 0 HD1 TRP A 83 20.486 -4.050 0.206 1.00 25.44 H new ATOM 0 HE1 TRP A 83 22.437 -5.436 -0.762 1.00 0.42 H new ATOM 0 HE3 TRP A 83 18.313 -5.405 -4.207 1.00 4.41 H new ATOM 0 HZ2 TRP A 83 22.942 -6.893 -3.115 1.00 64.12 H new ATOM 0 HZ3 TRP A 83 19.598 -6.796 -5.777 1.00 64.33 H new ATOM 0 HH2 TRP A 83 21.877 -7.530 -5.234 1.00 52.04 H new ATOM 1241 N ASN A 84 15.572 -2.623 0.069 1.00 43.04 N ATOM 1242 CA ASN A 84 14.344 -1.814 0.021 1.00 2.30 C ATOM 1243 C ASN A 84 14.523 -0.525 0.841 1.00 13.40 C ATOM 1244 O ASN A 84 14.092 0.552 0.429 1.00 42.04 O ATOM 1245 CB ASN A 84 13.134 -2.616 0.529 1.00 13.00 C ATOM 1246 CG ASN A 84 11.809 -1.867 0.384 1.00 71.11 C ATOM 1247 OD1 ASN A 84 11.620 -1.065 -0.521 1.00 52.11 O ATOM 1248 ND2 ASN A 84 10.883 -2.134 1.273 1.00 44.23 N ATOM 0 H ASN A 84 15.452 -3.552 0.474 1.00 43.04 H new ATOM 0 HA ASN A 84 14.154 -1.544 -1.018 1.00 2.30 H new ATOM 0 HB2 ASN A 84 13.074 -3.556 -0.019 1.00 13.00 H new ATOM 0 HB3 ASN A 84 13.288 -2.868 1.578 1.00 13.00 H new ATOM 0 HD21 ASN A 84 9.977 -1.669 1.221 1.00 44.23 H new ATOM 0 HD22 ASN A 84 11.069 -2.807 2.016 1.00 44.23 H new ATOM 1255 N GLN A 85 15.222 -0.636 1.977 1.00 1.31 N ATOM 1256 CA GLN A 85 15.527 0.520 2.817 1.00 2.43 C ATOM 1257 C GLN A 85 16.476 1.416 2.015 1.00 51.42 C ATOM 1258 O GLN A 85 16.262 2.627 1.889 1.00 25.13 O ATOM 1259 CB GLN A 85 16.206 0.038 4.126 1.00 40.31 C ATOM 1260 CG GLN A 85 16.244 1.034 5.309 1.00 42.45 C ATOM 1261 CD GLN A 85 16.998 2.339 5.053 1.00 35.24 C ATOM 1262 OE1 GLN A 85 16.420 3.325 4.629 1.00 74.51 O ATOM 1263 NE2 GLN A 85 18.286 2.347 5.306 1.00 13.24 N ATOM 0 H GLN A 85 15.587 -1.519 2.333 1.00 1.31 H new ATOM 0 HA GLN A 85 14.625 1.069 3.088 1.00 2.43 H new ATOM 0 HB2 GLN A 85 15.694 -0.864 4.460 1.00 40.31 H new ATOM 0 HB3 GLN A 85 17.232 -0.246 3.890 1.00 40.31 H new ATOM 0 HG2 GLN A 85 15.219 1.277 5.588 1.00 42.45 H new ATOM 0 HG3 GLN A 85 16.698 0.535 6.165 1.00 42.45 H new ATOM 0 HE21 GLN A 85 18.741 1.506 5.660 1.00 13.24 H new ATOM 0 HE22 GLN A 85 18.831 3.194 5.148 1.00 13.24 H new ATOM 1272 N LEU A 86 17.488 0.775 1.421 1.00 72.13 N ATOM 1273 CA LEU A 86 18.486 1.434 0.574 1.00 45.34 C ATOM 1274 C LEU A 86 17.851 2.126 -0.611 1.00 54.43 C ATOM 1275 O LEU A 86 18.405 3.055 -1.168 1.00 55.43 O ATOM 1276 CB LEU A 86 19.517 0.434 0.083 1.00 55.34 C ATOM 1277 CG LEU A 86 20.428 -0.143 1.147 1.00 61.34 C ATOM 1278 CD1 LEU A 86 21.343 -1.179 0.545 1.00 0.44 C ATOM 1279 CD2 LEU A 86 21.243 0.962 1.761 1.00 53.54 C ATOM 0 H LEU A 86 17.638 -0.229 1.517 1.00 72.13 H new ATOM 0 HA LEU A 86 18.976 2.190 1.188 1.00 45.34 H new ATOM 0 HB2 LEU A 86 18.995 -0.388 -0.407 1.00 55.34 H new ATOM 0 HB3 LEU A 86 20.134 0.917 -0.675 1.00 55.34 H new ATOM 0 HG LEU A 86 19.820 -0.619 1.917 1.00 61.34 H new ATOM 0 HD11 LEU A 86 21.992 -1.586 1.320 1.00 0.44 H new ATOM 0 HD12 LEU A 86 20.748 -1.983 0.112 1.00 0.44 H new ATOM 0 HD13 LEU A 86 21.952 -0.719 -0.233 1.00 0.44 H new ATOM 0 HD21 LEU A 86 21.899 0.548 2.527 1.00 53.54 H new ATOM 0 HD22 LEU A 86 21.844 1.443 0.989 1.00 53.54 H new ATOM 0 HD23 LEU A 86 20.577 1.697 2.213 1.00 53.54 H new ATOM 1291 N MET A 87 16.715 1.653 -1.003 1.00 53.45 N ATOM 1292 CA MET A 87 15.994 2.273 -2.044 1.00 11.10 C ATOM 1293 C MET A 87 15.268 3.492 -1.503 1.00 62.15 C ATOM 1294 O MET A 87 15.658 4.629 -1.800 1.00 4.12 O ATOM 1295 CB MET A 87 15.001 1.266 -2.680 1.00 51.42 C ATOM 1296 CG MET A 87 15.682 0.115 -3.418 1.00 0.20 C ATOM 1297 SD MET A 87 14.574 -1.265 -3.808 1.00 53.54 S ATOM 1298 CE MET A 87 13.393 -0.503 -4.908 1.00 71.21 C ATOM 0 H MET A 87 16.268 0.827 -0.606 1.00 53.45 H new ATOM 0 HA MET A 87 16.684 2.599 -2.822 1.00 11.10 H new ATOM 0 HB2 MET A 87 14.362 0.857 -1.898 1.00 51.42 H new ATOM 0 HB3 MET A 87 14.353 1.799 -3.376 1.00 51.42 H new ATOM 0 HG2 MET A 87 16.113 0.495 -4.344 1.00 0.20 H new ATOM 0 HG3 MET A 87 16.508 -0.255 -2.810 1.00 0.20 H new ATOM 0 HE1 MET A 87 13.018 -1.247 -5.611 1.00 71.21 H new ATOM 0 HE2 MET A 87 12.562 -0.101 -4.328 1.00 71.21 H new ATOM 0 HE3 MET A 87 13.876 0.305 -5.457 1.00 71.21 H new ATOM 1308 N LEU A 88 14.308 3.280 -0.628 1.00 61.21 N ATOM 1309 CA LEU A 88 13.454 4.367 -0.213 1.00 21.45 C ATOM 1310 C LEU A 88 14.108 5.517 0.536 1.00 55.35 C ATOM 1311 O LEU A 88 13.948 6.679 0.145 1.00 24.54 O ATOM 1312 CB LEU A 88 12.108 3.918 0.311 1.00 21.13 C ATOM 1313 CG LEU A 88 12.081 2.759 1.251 1.00 21.32 C ATOM 1314 CD1 LEU A 88 12.506 3.168 2.636 1.00 2.23 C ATOM 1315 CD2 LEU A 88 10.716 2.156 1.210 1.00 4.41 C ATOM 0 H LEU A 88 14.103 2.379 -0.197 1.00 61.21 H new ATOM 0 HA LEU A 88 13.229 4.868 -1.154 1.00 21.45 H new ATOM 0 HB2 LEU A 88 11.643 4.767 0.812 1.00 21.13 H new ATOM 0 HB3 LEU A 88 11.480 3.670 -0.545 1.00 21.13 H new ATOM 0 HG LEU A 88 12.802 2.002 0.942 1.00 21.32 H new ATOM 0 HD11 LEU A 88 12.476 2.302 3.297 1.00 2.23 H new ATOM 0 HD12 LEU A 88 13.521 3.564 2.603 1.00 2.23 H new ATOM 0 HD13 LEU A 88 11.829 3.935 3.013 1.00 2.23 H new ATOM 0 HD21 LEU A 88 10.673 1.306 1.891 1.00 4.41 H new ATOM 0 HD22 LEU A 88 9.980 2.901 1.513 1.00 4.41 H new ATOM 0 HD23 LEU A 88 10.497 1.821 0.196 1.00 4.41 H new