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+ 180:sc= 1.6 (180deg=0.312) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.0356 K(o=1.6,f=-16!) USER MOD Set 2.1: A 56 MET CE :methyl -130:sc= -1.7 (180deg=-7.23!) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 71:sc= -0.0215 USER MOD Single : A 22 GLN : amide:sc= 0.654 K(o=0.65,f=-0.028) USER MOD Single : A 23 GLN : amide:sc= -1.01! C(o=-1!,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= -2.66! K(o=-2.7!,f=-3.9) USER MOD Single : A 33 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.047) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 37 GLN : amide:sc= -0.35 K(o=-0.35,f=-2.2) USER MOD Single : A 38 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.5) USER MOD Single : A 40 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.047) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0253 K(o=-0.025,f=-9.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 60 HIS : no HE2:sc= -1.55! C(o=-1.6!,f=-3!) USER MOD Single : A 67 TYR OH : rot -85:sc= 1.22 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.358 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 GLN : amide:sc= 0.216 X(o=0.22,f=-0.0018) USER MOD Single : A 87 MET CE :methyl 154:sc= -0.119 (180deg=-1.98) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.656 0.898 -3.318 1.00 23.05 N ATOM 69 CA ALA A 18 8.717 -0.471 -2.856 1.00 53.32 C ATOM 70 C ALA A 18 7.897 -1.402 -3.791 1.00 63.42 C ATOM 71 O ALA A 18 8.064 -2.614 -3.789 1.00 4.41 O ATOM 72 CB ALA A 18 8.282 -0.577 -1.426 1.00 74.24 C ATOM 0 HA ALA A 18 9.754 -0.804 -2.896 1.00 53.32 H new ATOM 0 HB1 ALA A 18 8.338 -1.617 -1.105 1.00 74.24 H new ATOM 0 HB2 ALA A 18 8.936 0.031 -0.801 1.00 74.24 H new ATOM 0 HB3 ALA A 18 7.256 -0.222 -1.331 1.00 74.24 H new ATOM 78 N ALA A 19 7.022 -0.813 -4.612 1.00 73.51 N ATOM 79 CA ALA A 19 6.313 -1.576 -5.632 1.00 35.23 C ATOM 80 C ALA A 19 7.265 -1.825 -6.806 1.00 52.33 C ATOM 81 O ALA A 19 7.152 -2.810 -7.531 1.00 0.42 O ATOM 82 CB ALA A 19 5.063 -0.840 -6.094 1.00 24.01 C ATOM 0 H ALA A 19 6.792 0.180 -4.588 1.00 73.51 H new ATOM 0 HA ALA A 19 5.989 -2.529 -5.214 1.00 35.23 H new ATOM 0 HB1 ALA A 19 4.553 -1.431 -6.855 1.00 24.01 H new ATOM 0 HB2 ALA A 19 4.396 -0.688 -5.245 1.00 24.01 H new ATOM 0 HB3 ALA A 19 5.344 0.126 -6.513 1.00 24.01 H new ATOM 88 N ASP A 20 8.234 -0.932 -6.949 1.00 41.33 N ATOM 89 CA ASP A 20 9.277 -1.047 -7.962 1.00 41.43 C ATOM 90 C ASP A 20 10.228 -2.172 -7.500 1.00 42.44 C ATOM 91 O ASP A 20 10.681 -2.987 -8.284 1.00 32.41 O ATOM 92 CB ASP A 20 9.987 0.321 -8.122 1.00 42.44 C ATOM 93 CG ASP A 20 10.979 0.420 -9.271 1.00 54.00 C ATOM 94 OD1 ASP A 20 10.593 0.203 -10.446 1.00 55.23 O ATOM 95 OD2 ASP A 20 12.117 0.846 -9.036 1.00 12.42 O ATOM 0 H ASP A 20 8.320 -0.102 -6.363 1.00 41.33 H new ATOM 0 HA ASP A 20 8.881 -1.304 -8.944 1.00 41.43 H new ATOM 0 HB2 ASP A 20 9.227 1.091 -8.256 1.00 42.44 H new ATOM 0 HB3 ASP A 20 10.511 0.548 -7.194 1.00 42.44 H new ATOM 100 N TYR A 21 10.427 -2.241 -6.175 1.00 25.35 N ATOM 101 CA TYR A 21 11.125 -3.362 -5.483 1.00 20.44 C ATOM 102 C TYR A 21 10.464 -4.691 -5.831 1.00 13.14 C ATOM 103 O TYR A 21 11.150 -5.683 -6.074 1.00 34.41 O ATOM 104 CB TYR A 21 11.072 -3.113 -3.954 1.00 15.31 C ATOM 105 CG TYR A 21 11.376 -4.322 -3.123 1.00 1.22 C ATOM 106 CD1 TYR A 21 12.669 -4.743 -2.928 1.00 34.23 C ATOM 107 CD2 TYR A 21 10.343 -5.066 -2.568 1.00 60.34 C ATOM 108 CE1 TYR A 21 12.933 -5.882 -2.218 1.00 32.43 C ATOM 109 CE2 TYR A 21 10.593 -6.194 -1.842 1.00 4.30 C ATOM 110 CZ TYR A 21 11.884 -6.611 -1.667 1.00 3.33 C ATOM 111 OH TYR A 21 12.113 -7.795 -0.996 1.00 15.50 O ATOM 0 H TYR A 21 10.107 -1.514 -5.535 1.00 25.35 H new ATOM 0 HA TYR A 21 12.164 -3.407 -5.809 1.00 20.44 H new ATOM 0 HB2 TYR A 21 11.781 -2.325 -3.701 1.00 15.31 H new ATOM 0 HB3 TYR A 21 10.080 -2.746 -3.691 1.00 15.31 H new ATOM 0 HD1 TYR A 21 13.486 -4.169 -3.340 1.00 34.23 H new ATOM 0 HD2 TYR A 21 9.322 -4.746 -2.714 1.00 60.34 H new ATOM 0 HE1 TYR A 21 13.952 -6.214 -2.086 1.00 32.43 H new ATOM 0 HE2 TYR A 21 9.777 -6.754 -1.409 1.00 4.30 H new ATOM 0 HH TYR A 21 12.552 -7.606 -0.140 1.00 15.50 H new ATOM 121 N GLN A 22 9.138 -4.705 -5.870 1.00 73.33 N ATOM 122 CA GLN A 22 8.392 -5.904 -6.236 1.00 61.42 C ATOM 123 C GLN A 22 8.785 -6.362 -7.648 1.00 52.33 C ATOM 124 O GLN A 22 8.899 -7.568 -7.912 1.00 22.12 O ATOM 125 CB GLN A 22 6.877 -5.659 -6.123 1.00 25.32 C ATOM 126 CG GLN A 22 5.992 -6.846 -6.517 1.00 30.12 C ATOM 127 CD GLN A 22 6.253 -8.102 -5.694 1.00 20.42 C ATOM 128 OE1 GLN A 22 5.659 -8.311 -4.658 1.00 20.15 O ATOM 129 NE2 GLN A 22 7.136 -8.949 -6.165 1.00 24.03 N ATOM 0 H GLN A 22 8.555 -3.897 -5.652 1.00 73.33 H new ATOM 0 HA GLN A 22 8.646 -6.703 -5.540 1.00 61.42 H new ATOM 0 HB2 GLN A 22 6.646 -5.380 -5.095 1.00 25.32 H new ATOM 0 HB3 GLN A 22 6.615 -4.807 -6.751 1.00 25.32 H new ATOM 0 HG2 GLN A 22 4.946 -6.561 -6.407 1.00 30.12 H new ATOM 0 HG3 GLN A 22 6.151 -7.073 -7.571 1.00 30.12 H new ATOM 0 HE21 GLN A 22 7.621 -8.747 -7.039 1.00 24.03 H new ATOM 0 HE22 GLN A 22 7.338 -9.810 -5.657 1.00 24.03 H new ATOM 138 N GLN A 23 9.039 -5.404 -8.523 1.00 35.32 N ATOM 139 CA GLN A 23 9.475 -5.708 -9.870 1.00 22.34 C ATOM 140 C GLN A 23 10.903 -6.254 -9.834 1.00 33.10 C ATOM 141 O GLN A 23 11.202 -7.246 -10.469 1.00 35.30 O ATOM 142 CB GLN A 23 9.433 -4.475 -10.774 1.00 54.24 C ATOM 143 CG GLN A 23 8.095 -3.767 -10.855 1.00 13.31 C ATOM 144 CD GLN A 23 8.088 -2.703 -11.939 1.00 73.02 C ATOM 145 OE1 GLN A 23 7.725 -2.977 -13.089 1.00 2.53 O ATOM 146 NE2 GLN A 23 8.551 -1.522 -11.627 1.00 73.22 N ATOM 0 H GLN A 23 8.950 -4.408 -8.322 1.00 35.32 H new ATOM 0 HA GLN A 23 8.792 -6.452 -10.279 1.00 22.34 H new ATOM 0 HB2 GLN A 23 10.180 -3.763 -10.422 1.00 54.24 H new ATOM 0 HB3 GLN A 23 9.727 -4.774 -11.780 1.00 54.24 H new ATOM 0 HG2 GLN A 23 7.309 -4.495 -11.055 1.00 13.31 H new ATOM 0 HG3 GLN A 23 7.867 -3.308 -9.893 1.00 13.31 H new ATOM 0 HE21 GLN A 23 8.843 -1.325 -10.670 1.00 73.22 H new ATOM 0 HE22 GLN A 23 8.621 -0.797 -12.341 1.00 73.22 H new ATOM 155 N LEU A 24 11.764 -5.592 -9.058 1.00 21.31 N ATOM 156 CA LEU A 24 13.191 -5.960 -8.882 1.00 4.20 C ATOM 157 C LEU A 24 13.299 -7.454 -8.550 1.00 64.55 C ATOM 158 O LEU A 24 14.085 -8.169 -9.172 1.00 71.13 O ATOM 159 CB LEU A 24 13.778 -5.099 -7.725 1.00 21.11 C ATOM 160 CG LEU A 24 15.318 -4.951 -7.571 1.00 52.34 C ATOM 161 CD1 LEU A 24 15.621 -4.016 -6.421 1.00 21.24 C ATOM 162 CD2 LEU A 24 16.020 -6.273 -7.329 1.00 75.10 C ATOM 0 H LEU A 24 11.495 -4.768 -8.520 1.00 21.31 H new ATOM 0 HA LEU A 24 13.751 -5.772 -9.798 1.00 4.20 H new ATOM 0 HB2 LEU A 24 13.364 -4.096 -7.825 1.00 21.11 H new ATOM 0 HB3 LEU A 24 13.397 -5.509 -6.790 1.00 21.11 H new ATOM 0 HG LEU A 24 15.693 -4.551 -8.513 1.00 52.34 H new ATOM 0 HD11 LEU A 24 16.700 -3.911 -6.312 1.00 21.24 H new ATOM 0 HD12 LEU A 24 15.180 -3.039 -6.620 1.00 21.24 H new ATOM 0 HD13 LEU A 24 15.201 -4.423 -5.501 1.00 21.24 H new ATOM 0 HD21 LEU A 24 17.092 -6.103 -7.230 1.00 75.10 H new ATOM 0 HD22 LEU A 24 15.638 -6.725 -6.414 1.00 75.10 H new ATOM 0 HD23 LEU A 24 15.835 -6.942 -8.169 1.00 75.10 H new ATOM 174 N ARG A 25 12.449 -7.915 -7.617 1.00 21.52 N ATOM 175 CA ARG A 25 12.458 -9.320 -7.164 1.00 22.25 C ATOM 176 C ARG A 25 12.248 -10.266 -8.352 1.00 74.34 C ATOM 177 O ARG A 25 12.868 -11.312 -8.439 1.00 11.52 O ATOM 178 CB ARG A 25 11.349 -9.599 -6.120 1.00 23.33 C ATOM 179 CG ARG A 25 11.150 -8.516 -5.069 1.00 33.11 C ATOM 180 CD ARG A 25 10.251 -8.976 -3.923 1.00 60.32 C ATOM 181 NE ARG A 25 10.989 -9.733 -2.899 1.00 50.22 N ATOM 182 CZ ARG A 25 10.962 -11.062 -2.714 1.00 32.33 C ATOM 183 NH1 ARG A 25 10.265 -11.855 -3.517 1.00 62.11 N ATOM 184 NH2 ARG A 25 11.636 -11.604 -1.740 1.00 2.41 N ATOM 0 H ARG A 25 11.745 -7.335 -7.160 1.00 21.52 H new ATOM 0 HA ARG A 25 13.430 -9.495 -6.703 1.00 22.25 H new ATOM 0 HB2 ARG A 25 10.407 -9.746 -6.648 1.00 23.33 H new ATOM 0 HB3 ARG A 25 11.580 -10.535 -5.612 1.00 23.33 H new ATOM 0 HG2 ARG A 25 12.120 -8.218 -4.670 1.00 33.11 H new ATOM 0 HG3 ARG A 25 10.714 -7.634 -5.538 1.00 33.11 H new ATOM 0 HD2 ARG A 25 9.783 -8.107 -3.461 1.00 60.32 H new ATOM 0 HD3 ARG A 25 9.448 -9.597 -4.321 1.00 60.32 H new ATOM 0 HE ARG A 25 11.580 -9.194 -2.267 1.00 50.22 H new ATOM 0 HH11 ARG A 25 9.736 -11.457 -4.293 1.00 62.11 H new ATOM 0 HH12 ARG A 25 10.258 -12.863 -3.358 1.00 62.11 H new ATOM 0 HH21 ARG A 25 12.188 -11.018 -1.114 1.00 2.41 H new ATOM 0 HH22 ARG A 25 11.612 -12.615 -1.604 1.00 2.41 H new ATOM 198 N GLU A 26 11.384 -9.864 -9.259 1.00 12.23 N ATOM 199 CA GLU A 26 11.041 -10.628 -10.406 1.00 54.53 C ATOM 200 C GLU A 26 12.155 -10.543 -11.479 1.00 53.33 C ATOM 201 O GLU A 26 12.587 -11.570 -12.012 1.00 35.13 O ATOM 202 CB GLU A 26 9.690 -10.115 -10.906 1.00 64.31 C ATOM 203 CG GLU A 26 9.147 -10.816 -12.105 1.00 44.13 C ATOM 204 CD GLU A 26 9.112 -9.917 -13.308 1.00 41.51 C ATOM 205 OE1 GLU A 26 10.170 -9.654 -13.888 1.00 64.03 O ATOM 206 OE2 GLU A 26 8.041 -9.394 -13.651 1.00 71.14 O ATOM 0 H GLU A 26 10.896 -8.970 -9.204 1.00 12.23 H new ATOM 0 HA GLU A 26 10.953 -11.687 -10.164 1.00 54.53 H new ATOM 0 HB2 GLU A 26 8.965 -10.200 -10.096 1.00 64.31 H new ATOM 0 HB3 GLU A 26 9.786 -9.054 -11.138 1.00 64.31 H new ATOM 0 HG2 GLU A 26 9.759 -11.691 -12.323 1.00 44.13 H new ATOM 0 HG3 GLU A 26 8.141 -11.176 -11.891 1.00 44.13 H new ATOM 213 N ARG A 27 12.677 -9.326 -11.727 1.00 43.31 N ATOM 214 CA ARG A 27 13.731 -9.119 -12.747 1.00 42.35 C ATOM 215 C ARG A 27 15.032 -9.821 -12.451 1.00 33.45 C ATOM 216 O ARG A 27 15.866 -10.019 -13.342 1.00 25.24 O ATOM 217 CB ARG A 27 13.962 -7.662 -13.124 1.00 73.04 C ATOM 218 CG ARG A 27 12.892 -7.145 -14.035 1.00 75.20 C ATOM 219 CD ARG A 27 11.731 -6.525 -13.302 1.00 13.34 C ATOM 220 NE ARG A 27 10.434 -7.002 -13.786 1.00 64.13 N ATOM 221 CZ ARG A 27 9.350 -6.251 -13.984 1.00 4.31 C ATOM 222 NH1 ARG A 27 9.452 -4.920 -14.030 1.00 5.33 N ATOM 223 NH2 ARG A 27 8.173 -6.831 -14.159 1.00 64.05 N ATOM 0 H ARG A 27 12.391 -8.476 -11.241 1.00 43.31 H new ATOM 0 HA ARG A 27 13.312 -9.605 -13.628 1.00 42.35 H new ATOM 0 HB2 ARG A 27 13.994 -7.054 -12.220 1.00 73.04 H new ATOM 0 HB3 ARG A 27 14.932 -7.562 -13.610 1.00 73.04 H new ATOM 0 HG2 ARG A 27 13.324 -6.405 -14.708 1.00 75.20 H new ATOM 0 HG3 ARG A 27 12.526 -7.964 -14.655 1.00 75.20 H new ATOM 0 HD2 ARG A 27 11.820 -6.745 -12.238 1.00 13.34 H new ATOM 0 HD3 ARG A 27 11.777 -5.441 -13.408 1.00 13.34 H new ATOM 0 HE ARG A 27 10.352 -7.998 -13.990 1.00 64.13 H new ATOM 0 HH11 ARG A 27 10.362 -4.474 -13.913 1.00 5.33 H new ATOM 0 HH12 ARG A 27 8.620 -4.350 -14.182 1.00 5.33 H new ATOM 0 HH21 ARG A 27 8.098 -7.848 -14.142 1.00 64.05 H new ATOM 0 HH22 ARG A 27 7.341 -6.261 -14.311 1.00 64.05 H new ATOM 237 N LEU A 28 15.213 -10.147 -11.216 1.00 21.42 N ATOM 238 CA LEU A 28 16.349 -10.964 -10.775 1.00 32.22 C ATOM 239 C LEU A 28 16.199 -12.367 -11.330 1.00 73.14 C ATOM 240 O LEU A 28 17.070 -12.902 -12.006 1.00 61.32 O ATOM 241 CB LEU A 28 16.348 -11.101 -9.251 1.00 2.12 C ATOM 242 CG LEU A 28 16.563 -9.855 -8.434 1.00 1.45 C ATOM 243 CD1 LEU A 28 16.309 -10.163 -6.982 1.00 70.50 C ATOM 244 CD2 LEU A 28 17.971 -9.366 -8.614 1.00 60.05 C ATOM 0 H LEU A 28 14.587 -9.865 -10.462 1.00 21.42 H new ATOM 0 HA LEU A 28 17.265 -10.484 -11.120 1.00 32.22 H new ATOM 0 HB2 LEU A 28 15.393 -11.535 -8.954 1.00 2.12 H new ATOM 0 HB3 LEU A 28 17.123 -11.818 -8.979 1.00 2.12 H new ATOM 0 HG LEU A 28 15.874 -9.078 -8.766 1.00 1.45 H new ATOM 0 HD11 LEU A 28 16.464 -9.263 -6.387 1.00 70.50 H new ATOM 0 HD12 LEU A 28 15.283 -10.509 -6.857 1.00 70.50 H new ATOM 0 HD13 LEU A 28 16.997 -10.941 -6.649 1.00 70.50 H new ATOM 0 HD21 LEU A 28 18.122 -8.464 -8.021 1.00 60.05 H new ATOM 0 HD22 LEU A 28 18.669 -10.137 -8.286 1.00 60.05 H new ATOM 0 HD23 LEU A 28 18.147 -9.142 -9.666 1.00 60.05 H new ATOM 256 N ILE A 29 15.042 -12.910 -11.072 1.00 43.20 N ATOM 257 CA ILE A 29 14.704 -14.295 -11.338 1.00 1.31 C ATOM 258 C ILE A 29 14.729 -14.634 -12.816 1.00 1.13 C ATOM 259 O ILE A 29 15.083 -15.743 -13.182 1.00 74.23 O ATOM 260 CB ILE A 29 13.329 -14.660 -10.651 1.00 22.24 C ATOM 261 CG1 ILE A 29 13.535 -15.142 -9.218 1.00 4.53 C ATOM 262 CG2 ILE A 29 12.477 -15.648 -11.427 1.00 14.13 C ATOM 263 CD1 ILE A 29 14.301 -14.194 -8.356 1.00 20.14 C ATOM 0 H ILE A 29 14.273 -12.386 -10.654 1.00 43.20 H new ATOM 0 HA ILE A 29 15.479 -14.920 -10.893 1.00 1.31 H new ATOM 0 HB ILE A 29 12.766 -13.727 -10.642 1.00 22.24 H new ATOM 0 HG12 ILE A 29 12.561 -15.322 -8.764 1.00 4.53 H new ATOM 0 HG13 ILE A 29 14.058 -16.098 -9.240 1.00 4.53 H new ATOM 0 HG21 ILE A 29 11.553 -15.840 -10.881 1.00 14.13 H new ATOM 0 HG22 ILE A 29 12.240 -15.233 -12.407 1.00 14.13 H new ATOM 0 HG23 ILE A 29 13.025 -16.582 -11.552 1.00 14.13 H new ATOM 0 HD11 ILE A 29 14.402 -14.613 -7.355 1.00 20.14 H new ATOM 0 HD12 ILE A 29 15.291 -14.032 -8.783 1.00 20.14 H new ATOM 0 HD13 ILE A 29 13.770 -13.244 -8.300 1.00 20.14 H new ATOM 275 N GLN A 30 14.405 -13.661 -13.640 1.00 63.40 N ATOM 276 CA GLN A 30 14.389 -13.833 -15.100 1.00 45.44 C ATOM 277 C GLN A 30 15.761 -14.276 -15.570 1.00 12.13 C ATOM 278 O GLN A 30 15.908 -15.233 -16.310 1.00 2.23 O ATOM 279 CB GLN A 30 14.131 -12.503 -15.788 1.00 21.23 C ATOM 280 CG GLN A 30 13.103 -11.607 -15.162 1.00 64.23 C ATOM 281 CD GLN A 30 12.969 -10.311 -15.960 1.00 24.52 C ATOM 282 OE1 GLN A 30 13.923 -9.854 -16.589 1.00 54.02 O ATOM 283 NE2 GLN A 30 11.845 -9.680 -15.893 1.00 31.52 N ATOM 0 H GLN A 30 14.144 -12.725 -13.330 1.00 63.40 H new ATOM 0 HA GLN A 30 13.614 -14.561 -15.339 1.00 45.44 H new ATOM 0 HB2 GLN A 30 15.073 -11.957 -15.837 1.00 21.23 H new ATOM 0 HB3 GLN A 30 13.826 -12.705 -16.815 1.00 21.23 H new ATOM 0 HG2 GLN A 30 12.141 -12.118 -15.123 1.00 64.23 H new ATOM 0 HG3 GLN A 30 13.386 -11.381 -14.134 1.00 64.23 H new ATOM 0 HE21 GLN A 30 11.068 -10.078 -15.366 1.00 31.52 H new ATOM 0 HE22 GLN A 30 11.734 -8.784 -16.367 1.00 31.52 H new ATOM 292 N GLU A 31 16.745 -13.568 -15.089 1.00 4.11 N ATOM 293 CA GLU A 31 18.070 -13.717 -15.470 1.00 24.31 C ATOM 294 C GLU A 31 18.768 -14.822 -14.661 1.00 1.12 C ATOM 295 O GLU A 31 19.747 -15.417 -15.116 1.00 33.24 O ATOM 296 CB GLU A 31 18.679 -12.333 -15.341 1.00 65.44 C ATOM 297 CG GLU A 31 20.094 -12.302 -15.024 1.00 54.33 C ATOM 298 CD GLU A 31 20.668 -10.928 -15.167 1.00 14.52 C ATOM 299 OE1 GLU A 31 20.425 -10.064 -14.299 1.00 51.45 O ATOM 300 OE2 GLU A 31 21.408 -10.692 -16.137 1.00 61.31 O ATOM 0 H GLU A 31 16.608 -12.842 -14.386 1.00 4.11 H new ATOM 0 HA GLU A 31 18.186 -14.065 -16.496 1.00 24.31 H new ATOM 0 HB2 GLU A 31 18.522 -11.797 -16.277 1.00 65.44 H new ATOM 0 HB3 GLU A 31 18.139 -11.788 -14.567 1.00 65.44 H new ATOM 0 HG2 GLU A 31 20.245 -12.654 -14.004 1.00 54.33 H new ATOM 0 HG3 GLU A 31 20.628 -12.989 -15.681 1.00 54.33 H new ATOM 307 N LEU A 32 18.241 -15.119 -13.485 1.00 73.31 N ATOM 308 CA LEU A 32 18.777 -16.182 -12.689 1.00 55.22 C ATOM 309 C LEU A 32 18.209 -17.536 -13.110 1.00 42.41 C ATOM 310 O LEU A 32 18.751 -18.583 -12.764 1.00 21.01 O ATOM 311 CB LEU A 32 18.608 -15.891 -11.190 1.00 31.05 C ATOM 312 CG LEU A 32 19.402 -14.677 -10.697 1.00 24.25 C ATOM 313 CD1 LEU A 32 19.378 -14.549 -9.184 1.00 33.15 C ATOM 314 CD2 LEU A 32 20.825 -14.696 -11.222 1.00 75.20 C ATOM 0 H LEU A 32 17.445 -14.634 -13.071 1.00 73.31 H new ATOM 0 HA LEU A 32 19.850 -16.239 -12.870 1.00 55.22 H new ATOM 0 HB2 LEU A 32 17.551 -15.731 -10.978 1.00 31.05 H new ATOM 0 HB3 LEU A 32 18.917 -16.769 -10.623 1.00 31.05 H new ATOM 0 HG LEU A 32 18.907 -13.794 -11.100 1.00 24.25 H new ATOM 0 HD11 LEU A 32 19.954 -13.674 -8.884 1.00 33.15 H new ATOM 0 HD12 LEU A 32 18.348 -14.439 -8.844 1.00 33.15 H new ATOM 0 HD13 LEU A 32 19.814 -15.442 -8.736 1.00 33.15 H new ATOM 0 HD21 LEU A 32 21.360 -13.821 -10.853 1.00 75.20 H new ATOM 0 HD22 LEU A 32 21.327 -15.600 -10.879 1.00 75.20 H new ATOM 0 HD23 LEU A 32 20.811 -14.680 -12.312 1.00 75.20 H new ATOM 326 N ASN A 33 17.090 -17.477 -13.844 1.00 73.35 N ATOM 327 CA ASN A 33 16.412 -18.631 -14.479 1.00 55.51 C ATOM 328 C ASN A 33 15.982 -19.661 -13.404 1.00 54.40 C ATOM 329 O ASN A 33 15.853 -20.861 -13.647 1.00 61.13 O ATOM 330 CB ASN A 33 17.345 -19.265 -15.556 1.00 71.41 C ATOM 331 CG ASN A 33 16.649 -20.235 -16.527 1.00 61.10 C ATOM 332 OD1 ASN A 33 16.150 -19.834 -17.570 1.00 71.31 O ATOM 333 ND2 ASN A 33 16.627 -21.504 -16.205 1.00 31.12 N ATOM 0 H ASN A 33 16.609 -16.595 -14.023 1.00 73.35 H new ATOM 0 HA ASN A 33 15.506 -18.291 -14.981 1.00 55.51 H new ATOM 0 HB2 ASN A 33 17.805 -18.464 -16.134 1.00 71.41 H new ATOM 0 HB3 ASN A 33 18.151 -19.797 -15.050 1.00 71.41 H new ATOM 0 HD21 ASN A 33 16.188 -22.181 -16.829 1.00 31.12 H new ATOM 0 HD22 ASN A 33 17.049 -21.816 -15.330 1.00 31.12 H new ATOM 340 N LEU A 34 15.724 -19.168 -12.231 1.00 53.12 N ATOM 341 CA LEU A 34 15.316 -19.994 -11.134 1.00 52.31 C ATOM 342 C LEU A 34 14.012 -19.501 -10.552 1.00 51.32 C ATOM 343 O LEU A 34 13.515 -18.475 -10.964 1.00 72.15 O ATOM 344 CB LEU A 34 16.441 -20.139 -10.070 1.00 71.12 C ATOM 345 CG LEU A 34 17.199 -18.874 -9.591 1.00 11.22 C ATOM 346 CD1 LEU A 34 16.276 -17.829 -9.013 1.00 3.24 C ATOM 347 CD2 LEU A 34 18.238 -19.264 -8.557 1.00 73.11 C ATOM 0 H LEU A 34 15.791 -18.175 -12.006 1.00 53.12 H new ATOM 0 HA LEU A 34 15.136 -21.001 -11.511 1.00 52.31 H new ATOM 0 HB2 LEU A 34 16.002 -20.610 -9.191 1.00 71.12 H new ATOM 0 HB3 LEU A 34 17.181 -20.833 -10.468 1.00 71.12 H new ATOM 0 HG LEU A 34 17.679 -18.434 -10.465 1.00 11.22 H new ATOM 0 HD11 LEU A 34 16.859 -16.965 -8.694 1.00 3.24 H new ATOM 0 HD12 LEU A 34 15.556 -17.521 -9.771 1.00 3.24 H new ATOM 0 HD13 LEU A 34 15.746 -18.246 -8.157 1.00 3.24 H new ATOM 0 HD21 LEU A 34 18.770 -18.374 -8.222 1.00 73.11 H new ATOM 0 HD22 LEU A 34 17.746 -19.735 -7.706 1.00 73.11 H new ATOM 0 HD23 LEU A 34 18.946 -19.964 -8.999 1.00 73.11 H new ATOM 359 N THR A 35 13.451 -20.221 -9.620 1.00 65.32 N ATOM 360 CA THR A 35 12.255 -19.774 -8.965 1.00 44.51 C ATOM 361 C THR A 35 12.762 -18.871 -7.833 1.00 10.30 C ATOM 362 O THR A 35 13.874 -19.091 -7.377 1.00 23.23 O ATOM 363 CB THR A 35 11.528 -21.001 -8.384 1.00 0.33 C ATOM 364 OG1 THR A 35 11.946 -22.162 -9.127 1.00 63.41 O ATOM 365 CG2 THR A 35 10.017 -20.873 -8.546 1.00 65.14 C ATOM 0 H THR A 35 13.804 -21.122 -9.297 1.00 65.32 H new ATOM 0 HA THR A 35 11.562 -19.253 -9.625 1.00 44.51 H new ATOM 0 HB THR A 35 11.770 -21.080 -7.324 1.00 0.33 H new ATOM 0 HG1 THR A 35 11.496 -22.957 -8.772 1.00 63.41 H new ATOM 0 HG21 THR A 35 9.530 -21.754 -8.127 1.00 65.14 H new ATOM 0 HG22 THR A 35 9.669 -19.982 -8.023 1.00 65.14 H new ATOM 0 HG23 THR A 35 9.770 -20.791 -9.605 1.00 65.14 H new ATOM 373 N PRO A 36 12.009 -17.860 -7.360 1.00 23.02 N ATOM 374 CA PRO A 36 12.522 -16.927 -6.337 1.00 25.22 C ATOM 375 C PRO A 36 13.010 -17.651 -5.083 1.00 70.21 C ATOM 376 O PRO A 36 14.024 -17.304 -4.522 1.00 61.24 O ATOM 377 CB PRO A 36 11.326 -16.025 -6.017 1.00 14.13 C ATOM 378 CG PRO A 36 10.415 -16.155 -7.190 1.00 75.52 C ATOM 379 CD PRO A 36 10.631 -17.538 -7.747 1.00 21.43 C ATOM 0 HA PRO A 36 13.389 -16.373 -6.698 1.00 25.22 H new ATOM 0 HB2 PRO A 36 10.831 -16.338 -5.097 1.00 14.13 H new ATOM 0 HB3 PRO A 36 11.639 -14.991 -5.874 1.00 14.13 H new ATOM 0 HG2 PRO A 36 9.376 -16.015 -6.892 1.00 75.52 H new ATOM 0 HG3 PRO A 36 10.637 -15.396 -7.940 1.00 75.52 H new ATOM 0 HD2 PRO A 36 9.921 -18.252 -7.330 1.00 21.43 H new ATOM 0 HD3 PRO A 36 10.505 -17.558 -8.829 1.00 21.43 H new ATOM 387 N GLN A 37 12.319 -18.708 -4.720 1.00 24.42 N ATOM 388 CA GLN A 37 12.659 -19.490 -3.543 1.00 53.22 C ATOM 389 C GLN A 37 13.820 -20.457 -3.790 1.00 12.34 C ATOM 390 O GLN A 37 14.166 -21.248 -2.926 1.00 74.21 O ATOM 391 CB GLN A 37 11.427 -20.212 -2.963 1.00 14.12 C ATOM 392 CG GLN A 37 10.369 -19.260 -2.391 1.00 53.42 C ATOM 393 CD GLN A 37 9.654 -18.427 -3.448 1.00 15.41 C ATOM 394 OE1 GLN A 37 9.430 -18.885 -4.586 1.00 15.12 O ATOM 395 NE2 GLN A 37 9.419 -17.187 -3.145 1.00 52.24 N ATOM 0 H GLN A 37 11.505 -19.053 -5.229 1.00 24.42 H new ATOM 0 HA GLN A 37 13.006 -18.780 -2.792 1.00 53.22 H new ATOM 0 HB2 GLN A 37 10.972 -20.820 -3.745 1.00 14.12 H new ATOM 0 HB3 GLN A 37 11.753 -20.894 -2.177 1.00 14.12 H new ATOM 0 HG2 GLN A 37 9.630 -19.842 -1.840 1.00 53.42 H new ATOM 0 HG3 GLN A 37 10.846 -18.590 -1.675 1.00 53.42 H new ATOM 0 HE21 GLN A 37 9.614 -16.846 -2.204 1.00 52.24 H new ATOM 0 HE22 GLN A 37 9.039 -16.553 -3.848 1.00 52.24 H new ATOM 404 N GLN A 38 14.404 -20.402 -4.984 1.00 71.51 N ATOM 405 CA GLN A 38 15.617 -21.152 -5.265 1.00 53.10 C ATOM 406 C GLN A 38 16.805 -20.242 -4.983 1.00 3.32 C ATOM 407 O GLN A 38 17.959 -20.653 -5.044 1.00 72.44 O ATOM 408 CB GLN A 38 15.658 -21.628 -6.714 1.00 13.51 C ATOM 409 CG GLN A 38 14.539 -22.581 -7.104 1.00 52.03 C ATOM 410 CD GLN A 38 14.549 -23.880 -6.322 1.00 44.31 C ATOM 411 OE1 GLN A 38 15.584 -24.365 -5.907 1.00 14.03 O ATOM 412 NE2 GLN A 38 13.389 -24.454 -6.132 1.00 63.23 N ATOM 0 H GLN A 38 14.056 -19.848 -5.767 1.00 71.51 H new ATOM 0 HA GLN A 38 15.647 -22.039 -4.633 1.00 53.10 H new ATOM 0 HB2 GLN A 38 15.620 -20.758 -7.369 1.00 13.51 H new ATOM 0 HB3 GLN A 38 16.614 -22.120 -6.893 1.00 13.51 H new ATOM 0 HG2 GLN A 38 13.581 -22.084 -6.954 1.00 52.03 H new ATOM 0 HG3 GLN A 38 14.619 -22.806 -8.168 1.00 52.03 H new ATOM 0 HE21 GLN A 38 12.540 -24.020 -6.494 1.00 63.23 H new ATOM 0 HE22 GLN A 38 13.334 -25.336 -5.622 1.00 63.23 H new ATOM 421 N LEU A 39 16.504 -18.985 -4.706 1.00 25.32 N ATOM 422 CA LEU A 39 17.493 -18.054 -4.309 1.00 24.23 C ATOM 423 C LEU A 39 17.170 -17.613 -2.893 1.00 34.23 C ATOM 424 O LEU A 39 16.042 -17.790 -2.432 1.00 73.25 O ATOM 425 CB LEU A 39 17.702 -16.856 -5.313 1.00 32.31 C ATOM 426 CG LEU A 39 16.621 -15.761 -5.532 1.00 12.12 C ATOM 427 CD1 LEU A 39 16.369 -14.921 -4.303 1.00 35.23 C ATOM 428 CD2 LEU A 39 17.083 -14.848 -6.624 1.00 10.12 C ATOM 0 H LEU A 39 15.560 -18.601 -4.756 1.00 25.32 H new ATOM 0 HA LEU A 39 18.466 -18.544 -4.329 1.00 24.23 H new ATOM 0 HB2 LEU A 39 18.611 -16.341 -5.002 1.00 32.31 H new ATOM 0 HB3 LEU A 39 17.904 -17.297 -6.289 1.00 32.31 H new ATOM 0 HG LEU A 39 15.692 -16.273 -5.782 1.00 12.12 H new ATOM 0 HD11 LEU A 39 15.604 -14.176 -4.522 1.00 35.23 H new ATOM 0 HD12 LEU A 39 16.029 -15.561 -3.488 1.00 35.23 H new ATOM 0 HD13 LEU A 39 17.291 -14.419 -4.010 1.00 35.23 H new ATOM 0 HD21 LEU A 39 16.335 -14.073 -6.791 1.00 10.12 H new ATOM 0 HD22 LEU A 39 18.027 -14.386 -6.336 1.00 10.12 H new ATOM 0 HD23 LEU A 39 17.224 -15.420 -7.541 1.00 10.12 H new ATOM 440 N HIS A 40 18.118 -17.080 -2.194 1.00 41.04 N ATOM 441 CA HIS A 40 17.891 -16.687 -0.835 1.00 22.22 C ATOM 442 C HIS A 40 17.337 -15.253 -0.879 1.00 52.45 C ATOM 443 O HIS A 40 18.097 -14.309 -0.847 1.00 52.33 O ATOM 444 CB HIS A 40 19.223 -16.738 -0.044 1.00 52.01 C ATOM 445 CG HIS A 40 20.177 -17.826 -0.463 1.00 64.43 C ATOM 446 ND1 HIS A 40 21.323 -17.590 -1.192 1.00 55.11 N ATOM 447 CD2 HIS A 40 20.128 -19.165 -0.266 1.00 70.15 C ATOM 448 CE1 HIS A 40 21.913 -18.765 -1.420 1.00 31.02 C ATOM 449 NE2 HIS A 40 21.233 -19.753 -0.876 1.00 34.33 N ATOM 0 H HIS A 40 19.062 -16.905 -2.540 1.00 41.04 H new ATOM 0 HA HIS A 40 17.189 -17.355 -0.336 1.00 22.22 H new ATOM 0 HB2 HIS A 40 19.726 -15.776 -0.148 1.00 52.01 H new ATOM 0 HB3 HIS A 40 18.994 -16.865 1.014 1.00 52.01 H new ATOM 0 HD2 HIS A 40 19.357 -19.692 0.276 1.00 70.15 H new ATOM 0 HE1 HIS A 40 22.829 -18.890 -1.978 1.00 31.02 H new ATOM 0 HE2 HIS A 40 21.468 -20.745 -0.897 1.00 34.33 H new ATOM 457 N GLU A 41 16.007 -15.128 -1.028 1.00 41.35 N ATOM 458 CA GLU A 41 15.310 -13.832 -1.299 1.00 3.45 C ATOM 459 C GLU A 41 15.745 -12.668 -0.401 1.00 51.43 C ATOM 460 O GLU A 41 16.320 -11.671 -0.869 1.00 2.14 O ATOM 461 CB GLU A 41 13.789 -14.014 -1.190 1.00 42.15 C ATOM 462 CG GLU A 41 13.186 -15.009 -2.176 1.00 54.05 C ATOM 463 CD GLU A 41 11.672 -15.088 -2.075 1.00 34.12 C ATOM 464 OE1 GLU A 41 10.978 -14.260 -2.725 1.00 74.23 O ATOM 465 OE2 GLU A 41 11.157 -15.958 -1.359 1.00 61.15 O ATOM 0 H GLU A 41 15.369 -15.922 -0.966 1.00 41.35 H new ATOM 0 HA GLU A 41 15.602 -13.559 -2.313 1.00 3.45 H new ATOM 0 HB2 GLU A 41 13.549 -14.338 -0.177 1.00 42.15 H new ATOM 0 HB3 GLU A 41 13.311 -13.045 -1.336 1.00 42.15 H new ATOM 0 HG2 GLU A 41 13.464 -14.723 -3.190 1.00 54.05 H new ATOM 0 HG3 GLU A 41 13.610 -15.997 -1.995 1.00 54.05 H new ATOM 472 N GLU A 42 15.551 -12.823 0.874 1.00 12.41 N ATOM 473 CA GLU A 42 15.868 -11.764 1.806 1.00 3.41 C ATOM 474 C GLU A 42 17.172 -12.100 2.505 1.00 33.25 C ATOM 475 O GLU A 42 17.475 -11.609 3.584 1.00 40.23 O ATOM 476 CB GLU A 42 14.727 -11.602 2.824 1.00 52.03 C ATOM 477 CG GLU A 42 13.340 -11.368 2.203 1.00 12.33 C ATOM 478 CD GLU A 42 13.303 -10.236 1.184 1.00 43.24 C ATOM 479 OE1 GLU A 42 13.306 -9.060 1.573 1.00 11.11 O ATOM 480 OE2 GLU A 42 13.275 -10.532 -0.023 1.00 61.03 O ATOM 0 H GLU A 42 15.175 -13.670 1.300 1.00 12.41 H new ATOM 0 HA GLU A 42 15.981 -10.820 1.274 1.00 3.41 H new ATOM 0 HB2 GLU A 42 14.685 -12.495 3.447 1.00 52.03 H new ATOM 0 HB3 GLU A 42 14.961 -10.765 3.482 1.00 52.03 H new ATOM 0 HG2 GLU A 42 13.008 -12.288 1.722 1.00 12.33 H new ATOM 0 HG3 GLU A 42 12.628 -11.150 2.999 1.00 12.33 H new ATOM 487 N SER A 43 17.940 -12.929 1.865 1.00 2.24 N ATOM 488 CA SER A 43 19.170 -13.408 2.379 1.00 72.51 C ATOM 489 C SER A 43 20.298 -13.092 1.397 1.00 71.03 C ATOM 490 O SER A 43 20.030 -12.545 0.336 1.00 42.44 O ATOM 491 CB SER A 43 19.036 -14.872 2.673 1.00 51.22 C ATOM 492 OG SER A 43 17.996 -15.085 3.613 1.00 2.21 O ATOM 0 H SER A 43 17.713 -13.297 0.941 1.00 2.24 H new ATOM 0 HA SER A 43 19.424 -12.909 3.314 1.00 72.51 H new ATOM 0 HB2 SER A 43 18.824 -15.418 1.754 1.00 51.22 H new ATOM 0 HB3 SER A 43 19.976 -15.260 3.064 1.00 51.22 H new ATOM 0 HG SER A 43 17.914 -16.044 3.798 1.00 2.21 H new ATOM 498 N ASN A 44 21.543 -13.326 1.828 1.00 21.14 N ATOM 499 CA ASN A 44 22.780 -13.036 1.051 1.00 43.33 C ATOM 500 C ASN A 44 22.620 -13.337 -0.450 1.00 43.05 C ATOM 501 O ASN A 44 22.576 -14.503 -0.879 1.00 50.51 O ATOM 502 CB ASN A 44 23.961 -13.847 1.616 1.00 53.31 C ATOM 503 CG ASN A 44 25.325 -13.389 1.107 1.00 73.00 C ATOM 504 OD1 ASN A 44 25.454 -12.826 0.033 1.00 2.01 O ATOM 505 ND2 ASN A 44 26.353 -13.658 1.870 1.00 13.34 N ATOM 0 H ASN A 44 21.736 -13.731 2.744 1.00 21.14 H new ATOM 0 HA ASN A 44 22.975 -11.968 1.152 1.00 43.33 H new ATOM 0 HB2 ASN A 44 23.948 -13.779 2.704 1.00 53.31 H new ATOM 0 HB3 ASN A 44 23.823 -14.898 1.361 1.00 53.31 H new ATOM 0 HD21 ASN A 44 27.292 -13.396 1.571 1.00 13.34 H new ATOM 0 HD22 ASN A 44 26.215 -14.130 2.764 1.00 13.34 H new ATOM 512 N LEU A 45 22.510 -12.274 -1.222 1.00 55.14 N ATOM 513 CA LEU A 45 22.347 -12.364 -2.649 1.00 55.45 C ATOM 514 C LEU A 45 23.662 -12.652 -3.367 1.00 32.44 C ATOM 515 O LEU A 45 23.658 -13.083 -4.495 1.00 35.41 O ATOM 516 CB LEU A 45 21.667 -11.116 -3.219 1.00 23.14 C ATOM 517 CG LEU A 45 20.235 -10.830 -2.743 1.00 34.21 C ATOM 518 CD1 LEU A 45 19.722 -9.542 -3.363 1.00 64.52 C ATOM 519 CD2 LEU A 45 19.303 -11.985 -3.092 1.00 72.42 C ATOM 0 H LEU A 45 22.532 -11.318 -0.868 1.00 55.14 H new ATOM 0 HA LEU A 45 21.691 -13.215 -2.833 1.00 55.45 H new ATOM 0 HB2 LEU A 45 22.285 -10.251 -2.976 1.00 23.14 H new ATOM 0 HB3 LEU A 45 21.653 -11.203 -4.305 1.00 23.14 H new ATOM 0 HG LEU A 45 20.254 -10.720 -1.659 1.00 34.21 H new ATOM 0 HD11 LEU A 45 18.706 -9.351 -3.017 1.00 64.52 H new ATOM 0 HD12 LEU A 45 20.367 -8.714 -3.068 1.00 64.52 H new ATOM 0 HD13 LEU A 45 19.724 -9.635 -4.449 1.00 64.52 H new ATOM 0 HD21 LEU A 45 18.295 -11.757 -2.744 1.00 72.42 H new ATOM 0 HD22 LEU A 45 19.290 -12.128 -4.172 1.00 72.42 H new ATOM 0 HD23 LEU A 45 19.656 -12.896 -2.609 1.00 72.42 H new ATOM 531 N ILE A 46 24.783 -12.446 -2.686 1.00 52.23 N ATOM 532 CA ILE A 46 26.113 -12.705 -3.273 1.00 14.52 C ATOM 533 C ILE A 46 26.377 -14.221 -3.191 1.00 71.11 C ATOM 534 O ILE A 46 27.260 -14.770 -3.833 1.00 2.51 O ATOM 535 CB ILE A 46 27.234 -11.898 -2.509 1.00 71.11 C ATOM 536 CG1 ILE A 46 26.901 -10.401 -2.476 1.00 72.53 C ATOM 537 CG2 ILE A 46 28.613 -12.090 -3.132 1.00 60.24 C ATOM 538 CD1 ILE A 46 26.829 -9.733 -3.834 1.00 43.44 C ATOM 0 H ILE A 46 24.808 -12.101 -1.727 1.00 52.23 H new ATOM 0 HA ILE A 46 26.134 -12.375 -4.312 1.00 14.52 H new ATOM 0 HB ILE A 46 27.261 -12.293 -1.493 1.00 71.11 H new ATOM 0 HG12 ILE A 46 25.945 -10.268 -1.971 1.00 72.53 H new ATOM 0 HG13 ILE A 46 27.653 -9.890 -1.875 1.00 72.53 H new ATOM 0 HG21 ILE A 46 29.349 -11.515 -2.571 1.00 60.24 H new ATOM 0 HG22 ILE A 46 28.881 -13.146 -3.105 1.00 60.24 H new ATOM 0 HG23 ILE A 46 28.596 -11.746 -4.166 1.00 60.24 H new ATOM 0 HD11 ILE A 46 26.588 -8.677 -3.708 1.00 43.44 H new ATOM 0 HD12 ILE A 46 27.791 -9.828 -4.338 1.00 43.44 H new ATOM 0 HD13 ILE A 46 26.056 -10.212 -4.435 1.00 43.44 H new ATOM 550 N GLN A 47 25.554 -14.873 -2.390 1.00 23.22 N ATOM 551 CA GLN A 47 25.560 -16.296 -2.225 1.00 12.44 C ATOM 552 C GLN A 47 24.639 -16.913 -3.312 1.00 73.31 C ATOM 553 O GLN A 47 24.531 -18.126 -3.469 1.00 71.52 O ATOM 554 CB GLN A 47 25.062 -16.605 -0.823 1.00 74.44 C ATOM 555 CG GLN A 47 25.223 -18.034 -0.386 1.00 45.42 C ATOM 556 CD GLN A 47 24.701 -18.269 1.019 1.00 70.22 C ATOM 557 OE1 GLN A 47 24.731 -17.379 1.867 1.00 73.35 O ATOM 558 NE2 GLN A 47 24.204 -19.452 1.271 1.00 73.21 N ATOM 0 H GLN A 47 24.846 -14.404 -1.825 1.00 23.22 H new ATOM 0 HA GLN A 47 26.558 -16.719 -2.341 1.00 12.44 H new ATOM 0 HB2 GLN A 47 25.591 -15.964 -0.118 1.00 74.44 H new ATOM 0 HB3 GLN A 47 24.006 -16.341 -0.763 1.00 74.44 H new ATOM 0 HG2 GLN A 47 24.694 -18.686 -1.081 1.00 45.42 H new ATOM 0 HG3 GLN A 47 26.277 -18.309 -0.430 1.00 45.42 H new ATOM 0 HE21 GLN A 47 24.195 -20.167 0.544 1.00 73.21 H new ATOM 0 HE22 GLN A 47 23.825 -19.660 2.195 1.00 73.21 H new ATOM 567 N ALA A 48 23.964 -16.028 -4.022 1.00 60.13 N ATOM 568 CA ALA A 48 23.078 -16.342 -5.120 1.00 64.32 C ATOM 569 C ALA A 48 23.723 -15.803 -6.381 1.00 15.01 C ATOM 570 O ALA A 48 24.842 -15.292 -6.323 1.00 10.42 O ATOM 571 CB ALA A 48 21.708 -15.697 -4.892 1.00 63.24 C ATOM 0 H ALA A 48 24.023 -15.026 -3.838 1.00 60.13 H new ATOM 0 HA ALA A 48 22.922 -17.418 -5.203 1.00 64.32 H new ATOM 0 HB1 ALA A 48 21.048 -15.940 -5.725 1.00 63.24 H new ATOM 0 HB2 ALA A 48 21.277 -16.076 -3.965 1.00 63.24 H new ATOM 0 HB3 ALA A 48 21.822 -14.615 -4.823 1.00 63.24 H new ATOM 577 N GLY A 49 23.063 -15.938 -7.510 1.00 3.23 N ATOM 578 CA GLY A 49 23.624 -15.430 -8.738 1.00 12.12 C ATOM 579 C GLY A 49 23.556 -13.918 -8.795 1.00 62.41 C ATOM 580 O GLY A 49 22.569 -13.352 -9.225 1.00 64.14 O ATOM 0 H GLY A 49 22.152 -16.388 -7.602 1.00 3.23 H new ATOM 0 HA2 GLY A 49 24.662 -15.752 -8.826 1.00 12.12 H new ATOM 0 HA3 GLY A 49 23.086 -15.852 -9.587 1.00 12.12 H new ATOM 584 N LEU A 50 24.564 -13.274 -8.312 1.00 14.05 N ATOM 585 CA LEU A 50 24.623 -11.864 -8.345 1.00 41.32 C ATOM 586 C LEU A 50 26.063 -11.402 -8.406 1.00 35.24 C ATOM 587 O LEU A 50 26.783 -11.401 -7.408 1.00 14.20 O ATOM 588 CB LEU A 50 23.890 -11.280 -7.138 1.00 34.34 C ATOM 589 CG LEU A 50 24.052 -9.776 -6.932 1.00 24.43 C ATOM 590 CD1 LEU A 50 23.317 -8.981 -7.983 1.00 73.31 C ATOM 591 CD2 LEU A 50 23.647 -9.351 -5.548 1.00 14.31 C ATOM 0 H LEU A 50 25.373 -13.721 -7.881 1.00 14.05 H new ATOM 0 HA LEU A 50 24.123 -11.502 -9.243 1.00 41.32 H new ATOM 0 HB2 LEU A 50 22.828 -11.502 -7.238 1.00 34.34 H new ATOM 0 HB3 LEU A 50 24.240 -11.791 -6.241 1.00 34.34 H new ATOM 0 HG LEU A 50 25.115 -9.560 -7.042 1.00 24.43 H new ATOM 0 HD11 LEU A 50 23.459 -7.916 -7.799 1.00 73.31 H new ATOM 0 HD12 LEU A 50 23.707 -9.234 -8.969 1.00 73.31 H new ATOM 0 HD13 LEU A 50 22.254 -9.218 -7.941 1.00 73.31 H new ATOM 0 HD21 LEU A 50 23.778 -8.274 -5.445 1.00 14.31 H new ATOM 0 HD22 LEU A 50 22.601 -9.607 -5.380 1.00 14.31 H new ATOM 0 HD23 LEU A 50 24.268 -9.864 -4.814 1.00 14.31 H new ATOM 603 N ASP A 51 26.479 -11.091 -9.598 1.00 55.02 N ATOM 604 CA ASP A 51 27.785 -10.539 -9.851 1.00 25.53 C ATOM 605 C ASP A 51 27.686 -9.024 -9.811 1.00 72.11 C ATOM 606 O ASP A 51 26.627 -8.467 -9.463 1.00 15.13 O ATOM 607 CB ASP A 51 28.333 -11.013 -11.209 1.00 62.50 C ATOM 608 CG ASP A 51 27.379 -10.760 -12.347 1.00 0.32 C ATOM 609 OD1 ASP A 51 27.143 -9.601 -12.704 1.00 10.43 O ATOM 610 OD2 ASP A 51 26.830 -11.730 -12.883 1.00 13.53 O ATOM 0 H ASP A 51 25.914 -11.214 -10.438 1.00 55.02 H new ATOM 0 HA ASP A 51 28.479 -10.884 -9.085 1.00 25.53 H new ATOM 0 HB2 ASP A 51 29.276 -10.505 -11.412 1.00 62.50 H new ATOM 0 HB3 ASP A 51 28.551 -12.080 -11.155 1.00 62.50 H new ATOM 680 N ILE A 53 27.861 -7.000 -12.358 1.00 3.43 N ATOM 681 CA ILE A 53 27.221 -6.431 -13.474 1.00 13.50 C ATOM 682 C ILE A 53 25.749 -6.405 -13.190 1.00 75.12 C ATOM 683 O ILE A 53 25.065 -5.455 -13.528 1.00 64.11 O ATOM 684 CB ILE A 53 27.582 -7.121 -14.828 1.00 30.24 C ATOM 685 CG1 ILE A 53 27.984 -6.062 -15.833 1.00 10.31 C ATOM 686 CG2 ILE A 53 26.443 -7.988 -15.405 1.00 12.55 C ATOM 687 CD1 ILE A 53 26.902 -5.029 -16.100 1.00 14.40 C ATOM 0 HA ILE A 53 27.584 -5.413 -13.616 1.00 13.50 H new ATOM 0 HB ILE A 53 28.409 -7.802 -14.627 1.00 30.24 H new ATOM 0 HG12 ILE A 53 28.878 -5.553 -15.473 1.00 10.31 H new ATOM 0 HG13 ILE A 53 28.250 -6.547 -16.772 1.00 10.31 H new ATOM 0 HG21 ILE A 53 26.766 -8.435 -16.345 1.00 12.55 H new ATOM 0 HG22 ILE A 53 26.191 -8.777 -14.696 1.00 12.55 H new ATOM 0 HG23 ILE A 53 25.566 -7.366 -15.582 1.00 12.55 H new ATOM 0 HD11 ILE A 53 27.263 -4.304 -16.830 1.00 14.40 H new ATOM 0 HD12 ILE A 53 26.014 -5.525 -16.491 1.00 14.40 H new ATOM 0 HD13 ILE A 53 26.652 -4.516 -15.172 1.00 14.40 H new ATOM 699 N ARG A 54 25.278 -7.435 -12.511 1.00 23.42 N ATOM 700 CA ARG A 54 23.922 -7.456 -12.025 1.00 15.22 C ATOM 701 C ARG A 54 23.760 -6.341 -11.044 1.00 54.14 C ATOM 702 O ARG A 54 22.866 -5.542 -11.189 1.00 64.44 O ATOM 703 CB ARG A 54 23.541 -8.819 -11.431 1.00 35.01 C ATOM 704 CG ARG A 54 23.102 -9.831 -12.481 1.00 15.13 C ATOM 705 CD ARG A 54 24.187 -10.108 -13.496 1.00 11.45 C ATOM 706 NE ARG A 54 23.676 -10.795 -14.663 1.00 52.43 N ATOM 707 CZ ARG A 54 24.320 -11.661 -15.427 1.00 63.23 C ATOM 708 NH1 ARG A 54 25.531 -12.109 -15.098 1.00 4.03 N ATOM 709 NH2 ARG A 54 23.709 -12.102 -16.520 1.00 41.25 N ATOM 0 H ARG A 54 25.822 -8.268 -12.286 1.00 23.42 H new ATOM 0 HA ARG A 54 23.234 -7.306 -12.857 1.00 15.22 H new ATOM 0 HB2 ARG A 54 24.394 -9.220 -10.883 1.00 35.01 H new ATOM 0 HB3 ARG A 54 22.735 -8.681 -10.710 1.00 35.01 H new ATOM 0 HG2 ARG A 54 22.820 -10.762 -11.990 1.00 15.13 H new ATOM 0 HG3 ARG A 54 22.214 -9.459 -12.993 1.00 15.13 H new ATOM 0 HD2 ARG A 54 24.646 -9.168 -13.801 1.00 11.45 H new ATOM 0 HD3 ARG A 54 24.970 -10.710 -13.035 1.00 11.45 H new ATOM 0 HE ARG A 54 22.712 -10.588 -14.925 1.00 52.43 H new ATOM 0 HH11 ARG A 54 25.980 -11.784 -14.242 1.00 4.03 H new ATOM 0 HH12 ARG A 54 26.009 -12.777 -15.703 1.00 4.03 H new ATOM 0 HH21 ARG A 54 22.771 -11.772 -16.748 1.00 41.25 H new ATOM 0 HH22 ARG A 54 24.177 -12.771 -17.132 1.00 41.25 H new ATOM 723 N LEU A 55 24.702 -6.226 -10.114 1.00 75.35 N ATOM 724 CA LEU A 55 24.708 -5.134 -9.143 1.00 44.23 C ATOM 725 C LEU A 55 24.674 -3.761 -9.822 1.00 75.24 C ATOM 726 O LEU A 55 23.818 -2.941 -9.504 1.00 45.41 O ATOM 727 CB LEU A 55 25.904 -5.250 -8.208 1.00 42.41 C ATOM 728 CG LEU A 55 25.802 -6.337 -7.143 1.00 54.00 C ATOM 729 CD1 LEU A 55 27.157 -6.669 -6.581 1.00 1.43 C ATOM 730 CD2 LEU A 55 24.905 -5.863 -6.024 1.00 4.51 C ATOM 0 H LEU A 55 25.478 -6.880 -10.011 1.00 75.35 H new ATOM 0 HA LEU A 55 23.797 -5.221 -8.551 1.00 44.23 H new ATOM 0 HB2 LEU A 55 26.795 -5.436 -8.808 1.00 42.41 H new ATOM 0 HB3 LEU A 55 26.049 -4.291 -7.711 1.00 42.41 H new ATOM 0 HG LEU A 55 25.387 -7.232 -7.605 1.00 54.00 H new ATOM 0 HD11 LEU A 55 27.056 -7.447 -5.824 1.00 1.43 H new ATOM 0 HD12 LEU A 55 27.806 -7.024 -7.382 1.00 1.43 H new ATOM 0 HD13 LEU A 55 27.592 -5.777 -6.130 1.00 1.43 H new ATOM 0 HD21 LEU A 55 24.832 -6.640 -5.263 1.00 4.51 H new ATOM 0 HD22 LEU A 55 25.323 -4.959 -5.581 1.00 4.51 H new ATOM 0 HD23 LEU A 55 23.912 -5.648 -6.420 1.00 4.51 H new ATOM 742 N MET A 56 25.564 -3.520 -10.786 1.00 22.04 N ATOM 743 CA MET A 56 25.564 -2.235 -11.493 1.00 73.10 C ATOM 744 C MET A 56 24.301 -2.054 -12.353 1.00 32.23 C ATOM 745 O MET A 56 23.898 -0.922 -12.659 1.00 75.12 O ATOM 746 CB MET A 56 26.831 -2.001 -12.349 1.00 63.11 C ATOM 747 CG MET A 56 28.047 -1.315 -11.662 1.00 23.23 C ATOM 748 SD MET A 56 29.082 -2.341 -10.564 1.00 63.31 S ATOM 749 CE MET A 56 28.073 -2.598 -9.119 1.00 40.20 C ATOM 0 H MET A 56 26.279 -4.180 -11.091 1.00 22.04 H new ATOM 0 HA MET A 56 25.566 -1.479 -10.708 1.00 73.10 H new ATOM 0 HB2 MET A 56 27.162 -2.967 -12.731 1.00 63.11 H new ATOM 0 HB3 MET A 56 26.547 -1.397 -13.211 1.00 63.11 H new ATOM 0 HG2 MET A 56 28.688 -0.906 -12.443 1.00 23.23 H new ATOM 0 HG3 MET A 56 27.674 -0.471 -11.081 1.00 23.23 H new ATOM 0 HE1 MET A 56 28.649 -2.358 -8.225 1.00 40.20 H new ATOM 0 HE2 MET A 56 27.196 -1.953 -9.169 1.00 40.20 H new ATOM 0 HE3 MET A 56 27.756 -3.640 -9.077 1.00 40.20 H new ATOM 759 N ARG A 57 23.678 -3.164 -12.723 1.00 2.41 N ATOM 760 CA ARG A 57 22.452 -3.158 -13.506 1.00 74.42 C ATOM 761 C ARG A 57 21.272 -2.771 -12.605 1.00 74.43 C ATOM 762 O ARG A 57 20.281 -2.224 -13.063 1.00 23.13 O ATOM 763 CB ARG A 57 22.263 -4.532 -14.205 1.00 31.12 C ATOM 764 CG ARG A 57 21.268 -4.540 -15.355 1.00 64.44 C ATOM 765 CD ARG A 57 19.871 -4.938 -14.934 1.00 3.11 C ATOM 766 NE ARG A 57 19.712 -6.405 -14.734 1.00 51.23 N ATOM 767 CZ ARG A 57 18.533 -7.069 -14.828 1.00 30.53 C ATOM 768 NH1 ARG A 57 17.412 -6.402 -15.130 1.00 72.12 N ATOM 769 NH2 ARG A 57 18.475 -8.387 -14.638 1.00 72.03 N ATOM 0 H ARG A 57 24.011 -4.099 -12.487 1.00 2.41 H new ATOM 0 HA ARG A 57 22.508 -2.411 -14.298 1.00 74.42 H new ATOM 0 HB2 ARG A 57 23.230 -4.868 -14.580 1.00 31.12 H new ATOM 0 HB3 ARG A 57 21.940 -5.259 -13.460 1.00 31.12 H new ATOM 0 HG2 ARG A 57 21.236 -3.548 -15.805 1.00 64.44 H new ATOM 0 HG3 ARG A 57 21.618 -5.228 -16.125 1.00 64.44 H new ATOM 0 HD2 ARG A 57 19.617 -4.422 -14.008 1.00 3.11 H new ATOM 0 HD3 ARG A 57 19.161 -4.602 -15.690 1.00 3.11 H new ATOM 0 HE ARG A 57 20.547 -6.947 -14.511 1.00 51.23 H new ATOM 0 HH11 ARG A 57 17.445 -5.395 -15.289 1.00 72.12 H new ATOM 0 HH12 ARG A 57 16.525 -6.901 -15.201 1.00 72.12 H new ATOM 0 HH21 ARG A 57 19.324 -8.909 -14.419 1.00 72.03 H new ATOM 0 HH22 ARG A 57 17.582 -8.874 -14.712 1.00 72.03 H new ATOM 783 N TRP A 58 21.416 -3.045 -11.319 1.00 13.15 N ATOM 784 CA TRP A 58 20.433 -2.623 -10.317 1.00 54.53 C ATOM 785 C TRP A 58 20.610 -1.192 -9.982 1.00 44.43 C ATOM 786 O TRP A 58 19.644 -0.444 -9.924 1.00 73.41 O ATOM 787 CB TRP A 58 20.461 -3.520 -9.078 1.00 41.21 C ATOM 788 CG TRP A 58 20.140 -4.901 -9.469 1.00 31.24 C ATOM 789 CD1 TRP A 58 20.864 -6.004 -9.211 1.00 4.42 C ATOM 790 CD2 TRP A 58 19.017 -5.313 -10.262 1.00 40.32 C ATOM 791 NE1 TRP A 58 20.300 -7.084 -9.837 1.00 34.54 N ATOM 792 CE2 TRP A 58 19.155 -6.677 -10.476 1.00 53.31 C ATOM 793 CE3 TRP A 58 17.905 -4.647 -10.820 1.00 4.41 C ATOM 794 CZ2 TRP A 58 18.249 -7.395 -11.227 1.00 70.31 C ATOM 795 CZ3 TRP A 58 17.003 -5.373 -11.552 1.00 55.10 C ATOM 796 CH2 TRP A 58 17.183 -6.734 -11.754 1.00 11.03 C ATOM 0 H TRP A 58 22.208 -3.561 -10.936 1.00 13.15 H new ATOM 0 HA TRP A 58 19.439 -2.737 -10.750 1.00 54.53 H new ATOM 0 HB2 TRP A 58 21.445 -3.482 -8.610 1.00 41.21 H new ATOM 0 HB3 TRP A 58 19.743 -3.163 -8.340 1.00 41.21 H new ATOM 0 HD1 TRP A 58 21.756 -6.034 -8.602 1.00 4.42 H new ATOM 0 HE1 TRP A 58 20.670 -8.035 -9.830 1.00 34.54 H new ATOM 0 HE3 TRP A 58 17.768 -3.586 -10.673 1.00 4.41 H new ATOM 0 HZ2 TRP A 58 18.382 -8.454 -11.393 1.00 70.31 H new ATOM 0 HZ3 TRP A 58 16.141 -4.880 -11.977 1.00 55.10 H new ATOM 0 HH2 TRP A 58 16.461 -7.281 -12.343 1.00 11.03 H new ATOM 807 N LEU A 59 21.855 -0.794 -9.838 1.00 43.33 N ATOM 808 CA LEU A 59 22.240 0.578 -9.506 1.00 1.14 C ATOM 809 C LEU A 59 21.546 1.614 -10.338 1.00 53.11 C ATOM 810 O LEU A 59 20.922 2.533 -9.812 1.00 70.14 O ATOM 811 CB LEU A 59 23.740 0.753 -9.654 1.00 70.15 C ATOM 812 CG LEU A 59 24.529 0.760 -8.372 1.00 53.54 C ATOM 813 CD1 LEU A 59 24.158 1.991 -7.566 1.00 21.42 C ATOM 814 CD2 LEU A 59 24.263 -0.510 -7.579 1.00 31.50 C ATOM 0 H LEU A 59 22.652 -1.421 -9.949 1.00 43.33 H new ATOM 0 HA LEU A 59 21.931 0.732 -8.472 1.00 1.14 H new ATOM 0 HB2 LEU A 59 24.119 -0.049 -10.288 1.00 70.15 H new ATOM 0 HB3 LEU A 59 23.927 1.690 -10.179 1.00 70.15 H new ATOM 0 HG LEU A 59 25.595 0.792 -8.599 1.00 53.54 H new ATOM 0 HD11 LEU A 59 24.726 2.002 -6.636 1.00 21.42 H new ATOM 0 HD12 LEU A 59 24.389 2.887 -8.143 1.00 21.42 H new ATOM 0 HD13 LEU A 59 23.092 1.970 -7.340 1.00 21.42 H new ATOM 0 HD21 LEU A 59 24.841 -0.490 -6.655 1.00 31.50 H new ATOM 0 HD22 LEU A 59 23.201 -0.575 -7.342 1.00 31.50 H new ATOM 0 HD23 LEU A 59 24.556 -1.377 -8.171 1.00 31.50 H new ATOM 826 N HIS A 60 21.618 1.447 -11.620 1.00 55.02 N ATOM 827 CA HIS A 60 21.079 2.424 -12.512 1.00 22.33 C ATOM 828 C HIS A 60 19.562 2.284 -12.652 1.00 30.43 C ATOM 829 O HIS A 60 18.877 3.207 -13.089 1.00 73.44 O ATOM 830 CB HIS A 60 21.831 2.419 -13.847 1.00 42.41 C ATOM 831 CG HIS A 60 21.596 1.232 -14.763 1.00 22.41 C ATOM 832 ND1 HIS A 60 22.450 0.155 -14.872 1.00 15.13 N ATOM 833 CD2 HIS A 60 20.609 1.013 -15.670 1.00 3.21 C ATOM 834 CE1 HIS A 60 21.970 -0.652 -15.826 1.00 61.50 C ATOM 835 NE2 HIS A 60 20.857 -0.181 -16.338 1.00 11.22 N ATOM 0 H HIS A 60 22.046 0.640 -12.074 1.00 55.02 H new ATOM 0 HA HIS A 60 21.236 3.413 -12.082 1.00 22.33 H new ATOM 0 HB2 HIS A 60 21.563 3.325 -14.391 1.00 42.41 H new ATOM 0 HB3 HIS A 60 22.899 2.478 -13.635 1.00 42.41 H new ATOM 0 HD1 HIS A 60 23.296 0.001 -14.324 1.00 15.13 H new ATOM 0 HD2 HIS A 60 19.765 1.664 -15.845 1.00 3.21 H new ATOM 0 HE1 HIS A 60 22.439 -1.574 -16.135 1.00 61.50 H new ATOM 843 N TRP A 61 19.058 1.140 -12.237 1.00 75.21 N ATOM 844 CA TRP A 61 17.659 0.834 -12.313 1.00 33.02 C ATOM 845 C TRP A 61 16.876 1.706 -11.301 1.00 32.41 C ATOM 846 O TRP A 61 16.053 2.483 -11.689 1.00 10.05 O ATOM 847 CB TRP A 61 17.458 -0.657 -12.073 1.00 43.44 C ATOM 848 CG TRP A 61 16.102 -1.146 -12.421 1.00 42.42 C ATOM 849 CD1 TRP A 61 15.603 -1.326 -13.675 1.00 15.05 C ATOM 850 CD2 TRP A 61 15.083 -1.540 -11.519 1.00 33.02 C ATOM 851 NE1 TRP A 61 14.321 -1.797 -13.607 1.00 32.13 N ATOM 852 CE2 TRP A 61 13.977 -1.940 -12.290 1.00 11.15 C ATOM 853 CE3 TRP A 61 14.994 -1.589 -10.133 1.00 13.21 C ATOM 854 CZ2 TRP A 61 12.800 -2.384 -11.716 1.00 71.50 C ATOM 855 CZ3 TRP A 61 13.829 -2.030 -9.568 1.00 51.14 C ATOM 856 CH2 TRP A 61 12.748 -2.422 -10.359 1.00 13.21 C ATOM 0 H TRP A 61 19.622 0.392 -11.834 1.00 75.21 H new ATOM 0 HA TRP A 61 17.271 1.066 -13.305 1.00 33.02 H new ATOM 0 HB2 TRP A 61 18.194 -1.211 -12.656 1.00 43.44 H new ATOM 0 HB3 TRP A 61 17.654 -0.875 -11.023 1.00 43.44 H new ATOM 0 HD1 TRP A 61 16.141 -1.126 -14.590 1.00 15.05 H new ATOM 0 HE1 TRP A 61 13.721 -2.007 -14.405 1.00 32.13 H new ATOM 0 HE3 TRP A 61 15.826 -1.286 -9.516 1.00 13.21 H new ATOM 0 HZ2 TRP A 61 11.958 -2.688 -12.321 1.00 71.50 H new ATOM 0 HZ3 TRP A 61 13.744 -2.076 -8.492 1.00 51.14 H new ATOM 0 HH2 TRP A 61 11.844 -2.766 -9.878 1.00 13.21 H new ATOM 867 N PHE A 62 17.178 1.608 -10.013 1.00 51.00 N ATOM 868 CA PHE A 62 16.556 2.523 -9.002 1.00 35.43 C ATOM 869 C PHE A 62 17.027 3.929 -9.190 1.00 5.20 C ATOM 870 O PHE A 62 16.437 4.871 -8.669 1.00 50.44 O ATOM 871 CB PHE A 62 16.677 2.086 -7.539 1.00 51.12 C ATOM 872 CG PHE A 62 17.580 0.976 -7.326 1.00 11.14 C ATOM 873 CD1 PHE A 62 18.913 1.196 -7.137 1.00 20.23 C ATOM 874 CD2 PHE A 62 17.089 -0.305 -7.340 1.00 1.01 C ATOM 875 CE1 PHE A 62 19.768 0.124 -6.973 1.00 40.32 C ATOM 876 CE2 PHE A 62 17.907 -1.367 -7.171 1.00 51.22 C ATOM 877 CZ PHE A 62 19.252 -1.168 -6.991 1.00 42.32 C ATOM 0 H PHE A 62 17.832 0.928 -9.627 1.00 51.00 H new ATOM 0 HA PHE A 62 15.487 2.464 -9.207 1.00 35.43 H new ATOM 0 HB2 PHE A 62 17.015 2.935 -6.944 1.00 51.12 H new ATOM 0 HB3 PHE A 62 15.689 1.812 -7.170 1.00 51.12 H new ATOM 0 HD1 PHE A 62 19.298 2.205 -7.116 1.00 20.23 H new ATOM 0 HD2 PHE A 62 16.032 -0.467 -7.488 1.00 1.01 H new ATOM 0 HE1 PHE A 62 20.826 0.287 -6.832 1.00 40.32 H new ATOM 0 HE2 PHE A 62 17.503 -2.369 -7.178 1.00 51.22 H new ATOM 0 HZ PHE A 62 19.911 -2.014 -6.863 1.00 42.32 H new ATOM 887 N ARG A 63 18.159 4.080 -9.841 1.00 14.32 N ATOM 888 CA ARG A 63 18.658 5.389 -10.151 1.00 12.31 C ATOM 889 C ARG A 63 17.617 6.199 -10.980 1.00 41.43 C ATOM 890 O ARG A 63 17.556 7.415 -10.848 1.00 60.10 O ATOM 891 CB ARG A 63 20.015 5.340 -10.862 1.00 50.44 C ATOM 892 CG ARG A 63 20.655 6.703 -11.063 1.00 60.01 C ATOM 893 CD ARG A 63 20.918 7.380 -9.726 1.00 30.51 C ATOM 894 NE ARG A 63 21.359 8.778 -9.889 1.00 61.13 N ATOM 895 CZ ARG A 63 20.968 9.792 -9.093 1.00 40.44 C ATOM 896 NH1 ARG A 63 20.261 9.536 -7.993 1.00 14.02 N ATOM 897 NH2 ARG A 63 21.322 11.052 -9.382 1.00 1.22 N ATOM 0 H ARG A 63 18.746 3.310 -10.163 1.00 14.32 H new ATOM 0 HA ARG A 63 18.817 5.904 -9.204 1.00 12.31 H new ATOM 0 HB2 ARG A 63 20.694 4.712 -10.285 1.00 50.44 H new ATOM 0 HB3 ARG A 63 19.888 4.862 -11.834 1.00 50.44 H new ATOM 0 HG2 ARG A 63 21.591 6.593 -11.610 1.00 60.01 H new ATOM 0 HG3 ARG A 63 20.003 7.330 -11.671 1.00 60.01 H new ATOM 0 HD2 ARG A 63 20.011 7.355 -9.123 1.00 30.51 H new ATOM 0 HD3 ARG A 63 21.679 6.822 -9.181 1.00 30.51 H new ATOM 0 HE ARG A 63 22.001 8.990 -10.653 1.00 61.13 H new ATOM 0 HH11 ARG A 63 20.017 8.574 -7.756 1.00 14.02 H new ATOM 0 HH12 ARG A 63 19.964 10.302 -7.388 1.00 14.02 H new ATOM 0 HH21 ARG A 63 21.889 11.246 -10.207 1.00 1.22 H new ATOM 0 HH22 ARG A 63 21.024 11.817 -8.777 1.00 1.22 H new ATOM 911 N LYS A 64 16.765 5.513 -11.797 1.00 43.44 N ATOM 912 CA LYS A 64 15.691 6.223 -12.520 1.00 61.22 C ATOM 913 C LYS A 64 14.553 6.659 -11.593 1.00 32.45 C ATOM 914 O LYS A 64 13.656 7.384 -11.990 1.00 20.24 O ATOM 915 CB LYS A 64 15.194 5.529 -13.843 1.00 11.21 C ATOM 916 CG LYS A 64 14.716 4.080 -13.757 1.00 25.45 C ATOM 917 CD LYS A 64 13.517 3.904 -12.838 1.00 34.12 C ATOM 918 CE LYS A 64 13.120 2.417 -12.672 1.00 53.51 C ATOM 919 NZ LYS A 64 12.163 2.213 -11.547 1.00 32.14 N ATOM 0 H LYS A 64 16.804 4.507 -11.962 1.00 43.44 H new ATOM 0 HA LYS A 64 16.165 7.134 -12.885 1.00 61.22 H new ATOM 0 HB2 LYS A 64 14.377 6.127 -14.247 1.00 11.21 H new ATOM 0 HB3 LYS A 64 16.007 5.570 -14.567 1.00 11.21 H new ATOM 0 HG2 LYS A 64 14.456 3.729 -14.756 1.00 25.45 H new ATOM 0 HG3 LYS A 64 15.534 3.454 -13.402 1.00 25.45 H new ATOM 0 HD2 LYS A 64 13.745 4.328 -11.860 1.00 34.12 H new ATOM 0 HD3 LYS A 64 12.670 4.462 -13.238 1.00 34.12 H new ATOM 0 HE2 LYS A 64 12.672 2.057 -13.598 1.00 53.51 H new ATOM 0 HE3 LYS A 64 14.016 1.821 -12.498 1.00 53.51 H new ATOM 0 HZ1 LYS A 64 11.925 1.203 -11.473 1.00 32.14 H new ATOM 0 HZ2 LYS A 64 12.599 2.532 -10.658 1.00 32.14 H new ATOM 0 HZ3 LYS A 64 11.297 2.761 -11.724 1.00 32.14 H new ATOM 933 N ASN A 65 14.606 6.184 -10.357 1.00 0.03 N ATOM 934 CA ASN A 65 13.652 6.574 -9.312 1.00 43.21 C ATOM 935 C ASN A 65 14.239 7.786 -8.607 1.00 54.34 C ATOM 936 O ASN A 65 13.595 8.427 -7.787 1.00 14.20 O ATOM 937 CB ASN A 65 13.479 5.472 -8.228 1.00 60.21 C ATOM 938 CG ASN A 65 13.197 4.060 -8.726 1.00 53.11 C ATOM 939 OD1 ASN A 65 13.599 3.672 -9.793 1.00 33.12 O ATOM 940 ND2 ASN A 65 12.539 3.272 -7.932 1.00 14.54 N ATOM 0 H ASN A 65 15.310 5.516 -10.043 1.00 0.03 H new ATOM 0 HA ASN A 65 12.686 6.759 -9.781 1.00 43.21 H new ATOM 0 HB2 ASN A 65 14.385 5.445 -7.623 1.00 60.21 H new ATOM 0 HB3 ASN A 65 12.664 5.769 -7.568 1.00 60.21 H new ATOM 0 HD21 ASN A 65 12.355 2.307 -8.208 1.00 14.54 H new ATOM 0 HD22 ASN A 65 12.206 3.617 -7.032 1.00 14.54 H new ATOM 947 N GLY A 66 15.504 8.052 -8.913 1.00 51.11 N ATOM 948 CA GLY A 66 16.211 9.151 -8.326 1.00 43.33 C ATOM 949 C GLY A 66 17.082 8.741 -7.150 1.00 44.14 C ATOM 950 O GLY A 66 17.687 9.600 -6.500 1.00 14.43 O ATOM 0 H GLY A 66 16.055 7.505 -9.575 1.00 51.11 H new ATOM 0 HA2 GLY A 66 16.835 9.621 -9.086 1.00 43.33 H new ATOM 0 HA3 GLY A 66 15.493 9.901 -7.994 1.00 43.33 H new ATOM 954 N TYR A 67 17.225 7.437 -6.900 1.00 53.52 N ATOM 955 CA TYR A 67 17.947 6.998 -5.722 1.00 43.54 C ATOM 956 C TYR A 67 19.432 7.160 -5.810 1.00 13.04 C ATOM 957 O TYR A 67 20.035 6.956 -6.855 1.00 22.21 O ATOM 958 CB TYR A 67 17.564 5.592 -5.299 1.00 24.20 C ATOM 959 CG TYR A 67 16.170 5.548 -4.774 1.00 11.01 C ATOM 960 CD1 TYR A 67 15.812 6.367 -3.715 1.00 24.30 C ATOM 961 CD2 TYR A 67 15.209 4.738 -5.338 1.00 11.40 C ATOM 962 CE1 TYR A 67 14.537 6.382 -3.221 1.00 61.13 C ATOM 963 CE2 TYR A 67 13.914 4.746 -4.849 1.00 23.05 C ATOM 964 CZ TYR A 67 13.590 5.575 -3.785 1.00 24.13 C ATOM 965 OH TYR A 67 12.303 5.604 -3.295 1.00 3.35 O ATOM 0 H TYR A 67 16.857 6.688 -7.487 1.00 53.52 H new ATOM 0 HA TYR A 67 17.626 7.682 -4.936 1.00 43.54 H new ATOM 0 HB2 TYR A 67 17.657 4.916 -6.149 1.00 24.20 H new ATOM 0 HB3 TYR A 67 18.255 5.239 -4.534 1.00 24.20 H new ATOM 0 HD1 TYR A 67 16.558 7.009 -3.269 1.00 24.30 H new ATOM 0 HD2 TYR A 67 15.467 4.094 -6.165 1.00 11.40 H new ATOM 0 HE1 TYR A 67 14.281 7.026 -2.393 1.00 61.13 H new ATOM 0 HE2 TYR A 67 13.161 4.111 -5.293 1.00 23.05 H new ATOM 0 HH TYR A 67 12.230 4.994 -2.532 1.00 3.35 H new ATOM 975 N ARG A 68 20.001 7.595 -4.719 1.00 75.52 N ATOM 976 CA ARG A 68 21.383 7.727 -4.570 1.00 14.21 C ATOM 977 C ARG A 68 21.868 6.482 -3.899 1.00 30.11 C ATOM 978 O ARG A 68 21.624 6.309 -2.723 1.00 21.11 O ATOM 979 CB ARG A 68 21.682 8.903 -3.636 1.00 75.33 C ATOM 980 CG ARG A 68 23.124 8.926 -3.201 1.00 62.50 C ATOM 981 CD ARG A 68 23.409 9.904 -2.067 1.00 33.51 C ATOM 982 NE ARG A 68 24.776 9.714 -1.551 1.00 73.04 N ATOM 983 CZ ARG A 68 25.235 10.105 -0.333 1.00 74.50 C ATOM 984 NH1 ARG A 68 24.463 10.789 0.509 1.00 62.50 N ATOM 985 NH2 ARG A 68 26.469 9.802 0.026 1.00 71.12 N ATOM 0 H ARG A 68 19.474 7.872 -3.891 1.00 75.52 H new ATOM 0 HA ARG A 68 21.860 7.889 -5.537 1.00 14.21 H new ATOM 0 HB2 ARG A 68 21.441 9.838 -4.142 1.00 75.33 H new ATOM 0 HB3 ARG A 68 21.039 8.841 -2.758 1.00 75.33 H new ATOM 0 HG2 ARG A 68 23.415 7.924 -2.886 1.00 62.50 H new ATOM 0 HG3 ARG A 68 23.748 9.184 -4.057 1.00 62.50 H new ATOM 0 HD2 ARG A 68 23.287 10.927 -2.423 1.00 33.51 H new ATOM 0 HD3 ARG A 68 22.687 9.758 -1.263 1.00 33.51 H new ATOM 0 HE ARG A 68 25.441 9.245 -2.166 1.00 73.04 H new ATOM 0 HH11 ARG A 68 23.508 11.029 0.244 1.00 62.50 H new ATOM 0 HH12 ARG A 68 24.827 11.073 1.419 1.00 62.50 H new ATOM 0 HH21 ARG A 68 27.071 9.278 -0.609 1.00 71.12 H new ATOM 0 HH22 ARG A 68 26.820 10.092 0.939 1.00 71.12 H new ATOM 999 N LEU A 69 22.464 5.606 -4.608 1.00 44.12 N ATOM 1000 CA LEU A 69 23.042 4.474 -3.969 1.00 30.50 C ATOM 1001 C LEU A 69 24.459 4.368 -4.366 1.00 3.43 C ATOM 1002 O LEU A 69 24.819 4.590 -5.521 1.00 0.32 O ATOM 1003 CB LEU A 69 22.262 3.162 -4.214 1.00 10.20 C ATOM 1004 CG LEU A 69 20.796 3.115 -3.696 1.00 52.03 C ATOM 1005 CD1 LEU A 69 20.172 1.757 -3.941 1.00 43.11 C ATOM 1006 CD2 LEU A 69 20.709 3.462 -2.214 1.00 31.15 C ATOM 0 H LEU A 69 22.569 5.641 -5.622 1.00 44.12 H new ATOM 0 HA LEU A 69 22.981 4.627 -2.892 1.00 30.50 H new ATOM 0 HB2 LEU A 69 22.251 2.968 -5.287 1.00 10.20 H new ATOM 0 HB3 LEU A 69 22.814 2.346 -3.748 1.00 10.20 H new ATOM 0 HG LEU A 69 20.240 3.866 -4.257 1.00 52.03 H new ATOM 0 HD11 LEU A 69 19.148 1.755 -3.568 1.00 43.11 H new ATOM 0 HD12 LEU A 69 20.170 1.545 -5.010 1.00 43.11 H new ATOM 0 HD13 LEU A 69 20.749 0.992 -3.421 1.00 43.11 H new ATOM 0 HD21 LEU A 69 19.669 3.418 -1.890 1.00 31.15 H new ATOM 0 HD22 LEU A 69 21.299 2.749 -1.638 1.00 31.15 H new ATOM 0 HD23 LEU A 69 21.097 4.468 -2.052 1.00 31.15 H new ATOM 1018 N THR A 70 25.252 4.115 -3.405 1.00 44.51 N ATOM 1019 CA THR A 70 26.631 3.908 -3.585 1.00 72.33 C ATOM 1020 C THR A 70 26.763 2.401 -3.652 1.00 3.44 C ATOM 1021 O THR A 70 25.862 1.711 -3.225 1.00 24.34 O ATOM 1022 CB THR A 70 27.396 4.462 -2.360 1.00 73.55 C ATOM 1023 OG1 THR A 70 26.833 5.733 -1.993 1.00 1.34 O ATOM 1024 CG2 THR A 70 28.877 4.648 -2.673 1.00 40.23 C ATOM 0 H THR A 70 24.949 4.043 -2.434 1.00 44.51 H new ATOM 0 HA THR A 70 27.034 4.402 -4.469 1.00 72.33 H new ATOM 0 HB THR A 70 27.302 3.748 -1.542 1.00 73.55 H new ATOM 0 HG1 THR A 70 27.311 6.090 -1.216 1.00 1.34 H new ATOM 0 HG21 THR A 70 29.389 5.038 -1.793 1.00 40.23 H new ATOM 0 HG22 THR A 70 29.314 3.689 -2.951 1.00 40.23 H new ATOM 0 HG23 THR A 70 28.989 5.350 -3.499 1.00 40.23 H new ATOM 1032 N LEU A 71 27.839 1.877 -4.155 1.00 22.51 N ATOM 1033 CA LEU A 71 27.933 0.431 -4.305 1.00 50.54 C ATOM 1034 C LEU A 71 28.029 -0.262 -2.943 1.00 52.33 C ATOM 1035 O LEU A 71 27.665 -1.418 -2.783 1.00 33.22 O ATOM 1036 CB LEU A 71 29.097 0.015 -5.209 1.00 70.24 C ATOM 1037 CG LEU A 71 29.105 0.567 -6.654 1.00 53.12 C ATOM 1038 CD1 LEU A 71 27.757 0.384 -7.301 1.00 24.31 C ATOM 1039 CD2 LEU A 71 29.514 2.027 -6.703 1.00 11.45 C ATOM 0 H LEU A 71 28.655 2.403 -4.467 1.00 22.51 H new ATOM 0 HA LEU A 71 27.014 0.106 -4.792 1.00 50.54 H new ATOM 0 HB2 LEU A 71 30.025 0.321 -4.726 1.00 70.24 H new ATOM 0 HB3 LEU A 71 29.109 -1.074 -5.264 1.00 70.24 H new ATOM 0 HG LEU A 71 29.848 -0.004 -7.211 1.00 53.12 H new ATOM 0 HD11 LEU A 71 27.784 0.779 -8.317 1.00 24.31 H new ATOM 0 HD12 LEU A 71 27.509 -0.677 -7.331 1.00 24.31 H new ATOM 0 HD13 LEU A 71 27.001 0.917 -6.724 1.00 24.31 H new ATOM 0 HD21 LEU A 71 29.506 2.373 -7.737 1.00 11.45 H new ATOM 0 HD22 LEU A 71 28.813 2.621 -6.116 1.00 11.45 H new ATOM 0 HD23 LEU A 71 30.517 2.138 -6.291 1.00 11.45 H new ATOM 1051 N ARG A 72 28.442 0.523 -1.979 1.00 52.35 N ATOM 1052 CA ARG A 72 28.657 0.135 -0.578 1.00 42.03 C ATOM 1053 C ARG A 72 27.433 -0.569 0.003 1.00 75.13 C ATOM 1054 O ARG A 72 27.527 -1.686 0.450 1.00 10.03 O ATOM 1055 CB ARG A 72 28.941 1.423 0.216 1.00 61.52 C ATOM 1056 CG ARG A 72 28.877 1.308 1.739 1.00 43.14 C ATOM 1057 CD ARG A 72 28.674 2.691 2.392 1.00 52.50 C ATOM 1058 NE ARG A 72 27.419 3.333 1.921 1.00 22.43 N ATOM 1059 CZ ARG A 72 26.769 4.387 2.478 1.00 70.51 C ATOM 1060 NH1 ARG A 72 27.200 4.976 3.595 1.00 11.11 N ATOM 1061 NH2 ARG A 72 25.672 4.830 1.906 1.00 31.10 N ATOM 0 H ARG A 72 28.653 1.507 -2.144 1.00 52.35 H new ATOM 0 HA ARG A 72 29.491 -0.564 -0.516 1.00 42.03 H new ATOM 0 HB2 ARG A 72 29.933 1.782 -0.059 1.00 61.52 H new ATOM 0 HB3 ARG A 72 28.227 2.184 -0.100 1.00 61.52 H new ATOM 0 HG2 ARG A 72 28.060 0.645 2.023 1.00 43.14 H new ATOM 0 HG3 ARG A 72 29.797 0.858 2.112 1.00 43.14 H new ATOM 0 HD2 ARG A 72 28.645 2.583 3.476 1.00 52.50 H new ATOM 0 HD3 ARG A 72 29.523 3.334 2.159 1.00 52.50 H new ATOM 0 HE ARG A 72 26.997 2.936 1.082 1.00 22.43 H new ATOM 0 HH11 ARG A 72 28.043 4.636 4.058 1.00 11.11 H new ATOM 0 HH12 ARG A 72 26.687 5.766 3.986 1.00 11.11 H new ATOM 0 HH21 ARG A 72 25.323 4.383 1.058 1.00 31.10 H new ATOM 0 HH22 ARG A 72 25.170 5.621 2.310 1.00 31.10 H new ATOM 1075 N GLU A 73 26.312 0.104 -0.021 1.00 24.01 N ATOM 1076 CA GLU A 73 25.080 -0.393 0.543 1.00 73.34 C ATOM 1077 C GLU A 73 24.582 -1.700 -0.095 1.00 72.31 C ATOM 1078 O GLU A 73 24.035 -2.558 0.598 1.00 14.22 O ATOM 1079 CB GLU A 73 23.999 0.700 0.625 1.00 32.21 C ATOM 1080 CG GLU A 73 23.937 1.555 -0.597 1.00 74.30 C ATOM 1081 CD GLU A 73 24.829 2.805 -0.545 1.00 54.40 C ATOM 1082 OE1 GLU A 73 26.039 2.683 -0.272 1.00 63.25 O ATOM 1083 OE2 GLU A 73 24.340 3.936 -0.781 1.00 72.12 O ATOM 0 H GLU A 73 26.226 1.030 -0.440 1.00 24.01 H new ATOM 0 HA GLU A 73 25.315 -0.672 1.570 1.00 73.34 H new ATOM 0 HB2 GLU A 73 23.028 0.231 0.783 1.00 32.21 H new ATOM 0 HB3 GLU A 73 24.193 1.330 1.493 1.00 32.21 H new ATOM 0 HG2 GLU A 73 24.224 0.955 -1.460 1.00 74.30 H new ATOM 0 HG3 GLU A 73 22.905 1.867 -0.755 1.00 74.30 H new ATOM 1090 N LEU A 74 24.826 -1.875 -1.391 1.00 21.44 N ATOM 1091 CA LEU A 74 24.430 -3.105 -2.079 1.00 72.23 C ATOM 1092 C LEU A 74 25.365 -4.243 -1.687 1.00 13.22 C ATOM 1093 O LEU A 74 24.958 -5.395 -1.606 1.00 64.15 O ATOM 1094 CB LEU A 74 24.453 -2.952 -3.623 1.00 14.43 C ATOM 1095 CG LEU A 74 23.532 -1.905 -4.274 1.00 65.02 C ATOM 1096 CD1 LEU A 74 22.091 -2.038 -3.821 1.00 34.34 C ATOM 1097 CD2 LEU A 74 24.045 -0.505 -4.074 1.00 13.33 C ATOM 0 H LEU A 74 25.292 -1.188 -1.984 1.00 21.44 H new ATOM 0 HA LEU A 74 23.407 -3.324 -1.774 1.00 72.23 H new ATOM 0 HB2 LEU A 74 25.477 -2.721 -3.917 1.00 14.43 H new ATOM 0 HB3 LEU A 74 24.208 -3.922 -4.055 1.00 14.43 H new ATOM 0 HG LEU A 74 23.546 -2.109 -5.345 1.00 65.02 H new ATOM 0 HD11 LEU A 74 21.484 -1.276 -4.310 1.00 34.34 H new ATOM 0 HD12 LEU A 74 21.716 -3.026 -4.087 1.00 34.34 H new ATOM 0 HD13 LEU A 74 22.036 -1.908 -2.740 1.00 34.34 H new ATOM 0 HD21 LEU A 74 23.366 0.203 -4.549 1.00 13.33 H new ATOM 0 HD22 LEU A 74 24.107 -0.289 -3.007 1.00 13.33 H new ATOM 0 HD23 LEU A 74 25.035 -0.413 -4.521 1.00 13.33 H new ATOM 1109 N TYR A 75 26.612 -3.886 -1.449 1.00 13.03 N ATOM 1110 CA TYR A 75 27.666 -4.827 -1.098 1.00 65.04 C ATOM 1111 C TYR A 75 27.654 -5.218 0.362 1.00 62.03 C ATOM 1112 O TYR A 75 27.857 -6.378 0.696 1.00 13.13 O ATOM 1113 CB TYR A 75 29.033 -4.238 -1.462 1.00 12.25 C ATOM 1114 CG TYR A 75 29.413 -4.404 -2.905 1.00 4.04 C ATOM 1115 CD1 TYR A 75 29.342 -5.651 -3.535 1.00 43.33 C ATOM 1116 CD2 TYR A 75 29.846 -3.324 -3.642 1.00 54.24 C ATOM 1117 CE1 TYR A 75 29.701 -5.786 -4.868 1.00 32.13 C ATOM 1118 CE2 TYR A 75 30.200 -3.456 -4.964 1.00 5.32 C ATOM 1119 CZ TYR A 75 30.129 -4.683 -5.568 1.00 41.35 C ATOM 1120 OH TYR A 75 30.486 -4.805 -6.876 1.00 12.23 O ATOM 0 H TYR A 75 26.930 -2.918 -1.494 1.00 13.03 H new ATOM 0 HA TYR A 75 27.478 -5.735 -1.671 1.00 65.04 H new ATOM 0 HB2 TYR A 75 29.034 -3.176 -1.218 1.00 12.25 H new ATOM 0 HB3 TYR A 75 29.795 -4.709 -0.841 1.00 12.25 H new ATOM 0 HD1 TYR A 75 29.005 -6.514 -2.980 1.00 43.33 H new ATOM 0 HD2 TYR A 75 29.909 -2.354 -3.172 1.00 54.24 H new ATOM 0 HE1 TYR A 75 29.645 -6.750 -5.352 1.00 32.13 H new ATOM 0 HE2 TYR A 75 30.533 -2.595 -5.524 1.00 5.32 H new ATOM 0 HH TYR A 75 30.763 -3.931 -7.222 1.00 12.23 H new ATOM 1130 N ALA A 76 27.431 -4.256 1.222 1.00 41.11 N ATOM 1131 CA ALA A 76 27.486 -4.487 2.646 1.00 62.11 C ATOM 1132 C ALA A 76 26.306 -5.312 3.128 1.00 54.43 C ATOM 1133 O ALA A 76 26.441 -6.138 4.027 1.00 64.45 O ATOM 1134 CB ALA A 76 27.583 -3.176 3.412 1.00 32.24 C ATOM 0 H ALA A 76 27.208 -3.296 0.959 1.00 41.11 H new ATOM 0 HA ALA A 76 28.390 -5.062 2.845 1.00 62.11 H new ATOM 0 HB1 ALA A 76 27.623 -3.382 4.482 1.00 32.24 H new ATOM 0 HB2 ALA A 76 28.486 -2.645 3.111 1.00 32.24 H new ATOM 0 HB3 ALA A 76 26.710 -2.561 3.193 1.00 32.24 H new ATOM 1140 N ALA A 77 25.158 -5.092 2.534 1.00 62.42 N ATOM 1141 CA ALA A 77 23.990 -5.841 2.896 1.00 21.03 C ATOM 1142 C ALA A 77 23.232 -6.280 1.652 1.00 1.32 C ATOM 1143 O ALA A 77 22.239 -5.661 1.257 1.00 21.43 O ATOM 1144 CB ALA A 77 23.100 -5.052 3.848 1.00 51.20 C ATOM 0 H ALA A 77 25.013 -4.400 1.799 1.00 62.42 H new ATOM 0 HA ALA A 77 24.310 -6.738 3.427 1.00 21.03 H new ATOM 0 HB1 ALA A 77 22.223 -5.647 4.104 1.00 51.20 H new ATOM 0 HB2 ALA A 77 23.656 -4.817 4.756 1.00 51.20 H new ATOM 0 HB3 ALA A 77 22.783 -4.127 3.367 1.00 51.20 H new ATOM 1150 N PRO A 78 23.700 -7.335 0.981 1.00 31.51 N ATOM 1151 CA PRO A 78 23.075 -7.814 -0.218 1.00 72.34 C ATOM 1152 C PRO A 78 21.923 -8.735 0.105 1.00 60.13 C ATOM 1153 O PRO A 78 22.094 -9.948 0.237 1.00 13.21 O ATOM 1154 CB PRO A 78 24.193 -8.577 -0.946 1.00 45.24 C ATOM 1155 CG PRO A 78 25.367 -8.593 0.001 1.00 25.14 C ATOM 1156 CD PRO A 78 24.865 -8.141 1.335 1.00 42.42 C ATOM 0 HA PRO A 78 22.657 -7.007 -0.820 1.00 72.34 H new ATOM 0 HB2 PRO A 78 23.877 -9.590 -1.194 1.00 45.24 H new ATOM 0 HB3 PRO A 78 24.454 -8.086 -1.884 1.00 45.24 H new ATOM 0 HG2 PRO A 78 25.793 -9.594 0.069 1.00 25.14 H new ATOM 0 HG3 PRO A 78 26.158 -7.934 -0.356 1.00 25.14 H new ATOM 0 HD2 PRO A 78 24.597 -8.983 1.973 1.00 42.42 H new ATOM 0 HD3 PRO A 78 25.613 -7.558 1.873 1.00 42.42 H new ATOM 1164 N THR A 79 20.776 -8.141 0.282 1.00 53.44 N ATOM 1165 CA THR A 79 19.544 -8.814 0.602 1.00 12.33 C ATOM 1166 C THR A 79 18.446 -7.923 0.088 1.00 2.53 C ATOM 1167 O THR A 79 18.604 -6.699 0.135 1.00 11.32 O ATOM 1168 CB THR A 79 19.353 -8.943 2.154 1.00 50.10 C ATOM 1169 OG1 THR A 79 19.530 -7.662 2.767 1.00 64.52 O ATOM 1170 CG2 THR A 79 20.316 -9.929 2.796 1.00 74.04 C ATOM 0 H THR A 79 20.668 -7.130 0.204 1.00 53.44 H new ATOM 0 HA THR A 79 19.540 -9.813 0.167 1.00 12.33 H new ATOM 0 HB THR A 79 18.343 -9.321 2.313 1.00 50.10 H new ATOM 0 HG1 THR A 79 19.409 -7.744 3.736 1.00 64.52 H new ATOM 0 HG21 THR A 79 20.132 -9.971 3.869 1.00 74.04 H new ATOM 0 HG22 THR A 79 20.167 -10.918 2.363 1.00 74.04 H new ATOM 0 HG23 THR A 79 21.341 -9.605 2.617 1.00 74.04 H new ATOM 1178 N LEU A 80 17.357 -8.471 -0.400 1.00 24.25 N ATOM 1179 CA LEU A 80 16.252 -7.619 -0.820 1.00 31.02 C ATOM 1180 C LEU A 80 15.665 -6.912 0.350 1.00 41.24 C ATOM 1181 O LEU A 80 15.158 -5.812 0.235 1.00 42.40 O ATOM 1182 CB LEU A 80 15.212 -8.386 -1.578 1.00 14.45 C ATOM 1183 CG LEU A 80 15.625 -8.800 -2.955 1.00 12.42 C ATOM 1184 CD1 LEU A 80 14.456 -9.413 -3.684 1.00 71.22 C ATOM 1185 CD2 LEU A 80 16.173 -7.622 -3.766 1.00 23.24 C ATOM 0 H LEU A 80 17.207 -9.473 -0.517 1.00 24.25 H new ATOM 0 HA LEU A 80 16.650 -6.870 -1.505 1.00 31.02 H new ATOM 0 HB2 LEU A 80 14.949 -9.277 -1.008 1.00 14.45 H new ATOM 0 HB3 LEU A 80 14.311 -7.777 -1.651 1.00 14.45 H new ATOM 0 HG LEU A 80 16.423 -9.535 -2.849 1.00 12.42 H new ATOM 0 HD11 LEU A 80 14.767 -9.711 -4.685 1.00 71.22 H new ATOM 0 HD12 LEU A 80 14.105 -10.288 -3.138 1.00 71.22 H new ATOM 0 HD13 LEU A 80 13.649 -8.683 -3.757 1.00 71.22 H new ATOM 0 HD21 LEU A 80 16.461 -7.967 -4.759 1.00 23.24 H new ATOM 0 HD22 LEU A 80 15.405 -6.854 -3.857 1.00 23.24 H new ATOM 0 HD23 LEU A 80 17.044 -7.206 -3.260 1.00 23.24 H new ATOM 1197 N ALA A 81 15.788 -7.546 1.463 1.00 11.10 N ATOM 1198 CA ALA A 81 15.392 -6.984 2.756 1.00 2.24 C ATOM 1199 C ALA A 81 16.061 -5.621 2.993 1.00 72.13 C ATOM 1200 O ALA A 81 15.395 -4.634 3.321 1.00 24.43 O ATOM 1201 CB ALA A 81 15.749 -7.939 3.881 1.00 24.33 C ATOM 0 H ALA A 81 16.171 -8.489 1.527 1.00 11.10 H new ATOM 0 HA ALA A 81 14.312 -6.840 2.742 1.00 2.24 H new ATOM 0 HB1 ALA A 81 15.448 -7.506 4.835 1.00 24.33 H new ATOM 0 HB2 ALA A 81 15.230 -8.886 3.733 1.00 24.33 H new ATOM 0 HB3 ALA A 81 16.825 -8.111 3.884 1.00 24.33 H new ATOM 1207 N ALA A 82 17.373 -5.557 2.815 1.00 60.33 N ATOM 1208 CA ALA A 82 18.091 -4.309 2.998 1.00 35.35 C ATOM 1209 C ALA A 82 17.888 -3.388 1.814 1.00 1.22 C ATOM 1210 O ALA A 82 17.740 -2.186 1.986 1.00 51.10 O ATOM 1211 CB ALA A 82 19.566 -4.549 3.236 1.00 72.23 C ATOM 0 H ALA A 82 17.956 -6.350 2.546 1.00 60.33 H new ATOM 0 HA ALA A 82 17.682 -3.825 3.885 1.00 35.35 H new ATOM 0 HB1 ALA A 82 20.073 -3.593 3.369 1.00 72.23 H new ATOM 0 HB2 ALA A 82 19.696 -5.156 4.132 1.00 72.23 H new ATOM 0 HB3 ALA A 82 19.993 -5.070 2.379 1.00 72.23 H new ATOM 1217 N TRP A 83 17.840 -3.954 0.616 1.00 34.50 N ATOM 1218 CA TRP A 83 17.661 -3.157 -0.596 1.00 2.21 C ATOM 1219 C TRP A 83 16.310 -2.464 -0.606 1.00 22.12 C ATOM 1220 O TRP A 83 16.207 -1.330 -1.028 1.00 31.14 O ATOM 1221 CB TRP A 83 17.863 -3.980 -1.872 1.00 43.21 C ATOM 1222 CG TRP A 83 19.270 -4.496 -2.084 1.00 24.33 C ATOM 1223 CD1 TRP A 83 20.299 -4.533 -1.177 1.00 43.32 C ATOM 1224 CD2 TRP A 83 19.787 -5.054 -3.287 1.00 3.41 C ATOM 1225 NE1 TRP A 83 21.408 -5.101 -1.743 1.00 5.12 N ATOM 1226 CE2 TRP A 83 21.123 -5.427 -3.042 1.00 41.10 C ATOM 1227 CE3 TRP A 83 19.243 -5.278 -4.551 1.00 53.24 C ATOM 1228 CZ2 TRP A 83 21.917 -6.016 -4.017 1.00 3.34 C ATOM 1229 CZ3 TRP A 83 20.033 -5.860 -5.520 1.00 2.31 C ATOM 1230 CH2 TRP A 83 21.355 -6.227 -5.248 1.00 41.55 C ATOM 0 H TRP A 83 17.922 -4.958 0.454 1.00 34.50 H new ATOM 0 HA TRP A 83 18.437 -2.392 -0.583 1.00 2.21 H new ATOM 0 HB2 TRP A 83 17.180 -4.829 -1.851 1.00 43.21 H new ATOM 0 HB3 TRP A 83 17.584 -3.368 -2.729 1.00 43.21 H new ATOM 0 HD1 TRP A 83 20.242 -4.167 -0.163 1.00 43.32 H new ATOM 0 HE1 TRP A 83 22.300 -5.256 -1.274 1.00 5.12 H new ATOM 0 HE3 TRP A 83 18.222 -5.001 -4.767 1.00 53.24 H new ATOM 0 HZ2 TRP A 83 22.939 -6.297 -3.812 1.00 3.34 H new ATOM 0 HZ3 TRP A 83 19.625 -6.035 -6.504 1.00 2.31 H new ATOM 0 HH2 TRP A 83 21.946 -6.687 -6.026 1.00 41.55 H new ATOM 1241 N ASN A 84 15.290 -3.137 -0.097 1.00 14.13 N ATOM 1242 CA ASN A 84 13.952 -2.551 0.025 1.00 52.12 C ATOM 1243 C ASN A 84 14.023 -1.341 0.941 1.00 35.02 C ATOM 1244 O ASN A 84 13.464 -0.298 0.656 1.00 72.31 O ATOM 1245 CB ASN A 84 12.957 -3.576 0.589 1.00 32.02 C ATOM 1246 CG ASN A 84 11.530 -3.052 0.680 1.00 63.11 C ATOM 1247 OD1 ASN A 84 11.103 -2.215 -0.103 1.00 25.34 O ATOM 1248 ND2 ASN A 84 10.781 -3.556 1.630 1.00 53.24 N ATOM 0 H ASN A 84 15.358 -4.097 0.242 1.00 14.13 H new ATOM 0 HA ASN A 84 13.605 -2.249 -0.963 1.00 52.12 H new ATOM 0 HB2 ASN A 84 12.969 -4.466 -0.040 1.00 32.02 H new ATOM 0 HB3 ASN A 84 13.287 -3.882 1.582 1.00 32.02 H new ATOM 0 HD21 ASN A 84 9.813 -3.252 1.732 1.00 53.24 H new ATOM 0 HD22 ASN A 84 11.166 -4.253 2.268 1.00 53.24 H new ATOM 1255 N GLN A 85 14.787 -1.474 2.011 1.00 11.22 N ATOM 1256 CA GLN A 85 14.997 -0.385 2.951 1.00 31.23 C ATOM 1257 C GLN A 85 15.769 0.756 2.284 1.00 74.50 C ATOM 1258 O GLN A 85 15.503 1.923 2.539 1.00 13.01 O ATOM 1259 CB GLN A 85 15.702 -0.885 4.206 1.00 52.12 C ATOM 1260 CG GLN A 85 14.849 -1.839 5.028 1.00 41.23 C ATOM 1261 CD GLN A 85 15.609 -2.473 6.165 1.00 24.21 C ATOM 1262 OE1 GLN A 85 15.668 -1.948 7.260 1.00 24.23 O ATOM 1263 NE2 GLN A 85 16.162 -3.631 5.920 1.00 51.22 N ATOM 0 H GLN A 85 15.277 -2.335 2.253 1.00 11.22 H new ATOM 0 HA GLN A 85 14.027 0.006 3.256 1.00 31.23 H new ATOM 0 HB2 GLN A 85 16.626 -1.387 3.921 1.00 52.12 H new ATOM 0 HB3 GLN A 85 15.980 -0.031 4.824 1.00 52.12 H new ATOM 0 HG2 GLN A 85 13.991 -1.299 5.428 1.00 41.23 H new ATOM 0 HG3 GLN A 85 14.458 -2.622 4.378 1.00 41.23 H new ATOM 0 HE21 GLN A 85 16.093 -4.042 4.989 1.00 51.22 H new ATOM 0 HE22 GLN A 85 16.663 -4.124 6.660 1.00 51.22 H new ATOM 1272 N LEU A 86 16.684 0.409 1.392 1.00 62.12 N ATOM 1273 CA LEU A 86 17.426 1.394 0.610 1.00 20.33 C ATOM 1274 C LEU A 86 16.491 2.110 -0.364 1.00 4.54 C ATOM 1275 O LEU A 86 16.688 3.259 -0.720 1.00 2.32 O ATOM 1276 CB LEU A 86 18.551 0.727 -0.171 1.00 45.23 C ATOM 1277 CG LEU A 86 19.616 0.045 0.666 1.00 55.40 C ATOM 1278 CD1 LEU A 86 20.614 -0.645 -0.228 1.00 62.21 C ATOM 1279 CD2 LEU A 86 20.325 1.045 1.561 1.00 21.52 C ATOM 0 H LEU A 86 16.935 -0.558 1.188 1.00 62.12 H new ATOM 0 HA LEU A 86 17.855 2.119 1.302 1.00 20.33 H new ATOM 0 HB2 LEU A 86 18.114 -0.012 -0.843 1.00 45.23 H new ATOM 0 HB3 LEU A 86 19.032 1.480 -0.795 1.00 45.23 H new ATOM 0 HG LEU A 86 19.129 -0.697 1.299 1.00 55.40 H new ATOM 0 HD11 LEU A 86 21.374 -1.131 0.383 1.00 62.21 H new ATOM 0 HD12 LEU A 86 20.103 -1.393 -0.835 1.00 62.21 H new ATOM 0 HD13 LEU A 86 21.087 0.089 -0.880 1.00 62.21 H new ATOM 0 HD21 LEU A 86 21.084 0.531 2.151 1.00 21.52 H new ATOM 0 HD22 LEU A 86 20.799 1.810 0.947 1.00 21.52 H new ATOM 0 HD23 LEU A 86 19.601 1.513 2.229 1.00 21.52 H new ATOM 1291 N MET A 87 15.478 1.414 -0.783 1.00 52.43 N ATOM 1292 CA MET A 87 14.502 1.953 -1.696 1.00 33.32 C ATOM 1293 C MET A 87 13.439 2.787 -0.983 1.00 22.01 C ATOM 1294 O MET A 87 12.779 3.602 -1.605 1.00 23.12 O ATOM 1295 CB MET A 87 13.878 0.845 -2.538 1.00 41.43 C ATOM 1296 CG MET A 87 14.895 0.135 -3.423 1.00 51.43 C ATOM 1297 SD MET A 87 14.197 -1.221 -4.368 1.00 2.42 S ATOM 1298 CE MET A 87 12.991 -0.344 -5.336 1.00 31.31 C ATOM 0 H MET A 87 15.299 0.450 -0.502 1.00 52.43 H new ATOM 0 HA MET A 87 15.026 2.633 -2.368 1.00 33.32 H new ATOM 0 HB2 MET A 87 13.405 0.117 -1.879 1.00 41.43 H new ATOM 0 HB3 MET A 87 13.092 1.268 -3.163 1.00 41.43 H new ATOM 0 HG2 MET A 87 15.335 0.858 -4.110 1.00 51.43 H new ATOM 0 HG3 MET A 87 15.704 -0.245 -2.800 1.00 51.43 H new ATOM 0 HE1 MET A 87 12.800 -0.890 -6.260 1.00 31.31 H new ATOM 0 HE2 MET A 87 12.064 -0.255 -4.769 1.00 31.31 H new ATOM 0 HE3 MET A 87 13.369 0.651 -5.573 1.00 31.31 H new ATOM 1308 N LEU A 88 13.232 2.556 0.298 1.00 62.30 N ATOM 1309 CA LEU A 88 12.270 3.353 1.026 1.00 61.33 C ATOM 1310 C LEU A 88 12.839 4.418 1.981 1.00 11.55 C ATOM 1311 O LEU A 88 12.293 5.508 2.081 1.00 72.40 O ATOM 1312 CB LEU A 88 11.131 2.527 1.590 1.00 30.12 C ATOM 1313 CG LEU A 88 11.467 1.292 2.352 1.00 2.53 C ATOM 1314 CD1 LEU A 88 11.908 1.620 3.748 1.00 41.42 C ATOM 1315 CD2 LEU A 88 10.283 0.393 2.315 1.00 51.10 C ATOM 0 H LEU A 88 13.707 1.838 0.846 1.00 62.30 H new ATOM 0 HA LEU A 88 11.825 3.987 0.259 1.00 61.33 H new ATOM 0 HB2 LEU A 88 10.544 3.172 2.244 1.00 30.12 H new ATOM 0 HB3 LEU A 88 10.485 2.241 0.760 1.00 30.12 H new ATOM 0 HG LEU A 88 12.312 0.777 1.895 1.00 2.53 H new ATOM 0 HD11 LEU A 88 12.147 0.699 4.280 1.00 41.42 H new ATOM 0 HD12 LEU A 88 12.792 2.257 3.710 1.00 41.42 H new ATOM 0 HD13 LEU A 88 11.106 2.143 4.269 1.00 41.42 H new ATOM 0 HD21 LEU A 88 10.503 -0.521 2.867 1.00 51.10 H new ATOM 0 HD22 LEU A 88 9.430 0.896 2.771 1.00 51.10 H new ATOM 0 HD23 LEU A 88 10.047 0.144 1.280 1.00 51.10 H new