USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN :FLIP amide:sc= 0.72 F(o=0.75,f=1.8) USER MOD Set 1.2: A 89 SER OG : rot 145:sc= 1.04 USER MOD Set 2.1: A 64 LYS NZ :NH3+ -114:sc= 0.0869 (180deg=-0.188) USER MOD Set 2.2: A 65 ASN : amide:sc= 2.22 K(o=2.3,f=-8.5!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 1.21 K(o=-0.81,f=-9.2!) USER MOD Set 3.2: A 67 TYR OH : rot -5:sc= 0.348 USER MOD Set 3.3: A 87 MET CE :methyl 150:sc= -2.37 (180deg=-4.55!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.0995 USER MOD Single : A 22 GLN : amide:sc= 0.901 K(o=0.9,f=-0.48) USER MOD Single : A 23 GLN : amide:sc= 0.86 K(o=0.86,f=-0.32) USER MOD Single : A 30 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.64) USER MOD Single : A 33 ASN : amide:sc= 0.663 K(o=0.66,f=-0.22) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 37 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.68) USER MOD Single : A 38 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.13) USER MOD Single : A 40 HIS : no HE2:sc= 0.152 K(o=0.15,f=-6.2!) USER MOD Single : A 43 SER OG : rot -150:sc= -0.593 USER MOD Single : A 44 ASN : amide:sc= -0.424 K(o=-0.42,f=-7.1!) USER MOD Single : A 47 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.075) USER MOD Single : A 56 MET CE :methyl 148:sc= -0.675 (180deg=-2.88!) USER MOD Single : A 60 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot -70:sc= 0.282 USER MOD Single : A 75 TYR OH : rot 120:sc= -0.641 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 84 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.172 -5.506 -1.017 1.00 43.41 N ATOM 52 CA HIS A 17 -4.445 -6.091 0.335 1.00 1.22 C ATOM 53 C HIS A 17 -3.394 -7.112 0.634 1.00 33.11 C ATOM 54 O HIS A 17 -3.088 -7.410 1.757 1.00 72.30 O ATOM 55 CB HIS A 17 -5.832 -6.720 0.392 1.00 54.11 C ATOM 56 CG HIS A 17 -6.714 -6.212 1.504 1.00 52.41 C ATOM 57 ND1 HIS A 17 -6.393 -6.250 2.851 1.00 61.32 N ATOM 58 CD2 HIS A 17 -7.949 -5.666 1.435 1.00 61.53 C ATOM 59 CE1 HIS A 17 -7.420 -5.747 3.535 1.00 14.31 C ATOM 60 NE2 HIS A 17 -8.403 -5.377 2.713 1.00 44.23 N ATOM 0 HA HIS A 17 -4.417 -5.298 1.083 1.00 1.22 H new ATOM 0 HB2 HIS A 17 -6.334 -6.544 -0.559 1.00 54.11 H new ATOM 0 HB3 HIS A 17 -5.722 -7.799 0.500 1.00 54.11 H new ATOM 0 HD1 HIS A 17 -5.522 -6.602 3.250 1.00 61.32 H new ATOM 0 HD2 HIS A 17 -8.498 -5.483 0.523 1.00 61.53 H new ATOM 0 HE1 HIS A 17 -7.452 -5.652 4.610 1.00 14.31 H new ATOM 68 N ALA A 18 -2.796 -7.577 -0.409 1.00 70.14 N ATOM 69 CA ALA A 18 -1.698 -8.474 -0.351 1.00 31.13 C ATOM 70 C ALA A 18 -0.514 -7.885 0.454 1.00 40.31 C ATOM 71 O ALA A 18 0.420 -8.569 0.739 1.00 44.11 O ATOM 72 CB ALA A 18 -1.336 -8.940 -1.718 1.00 41.42 C ATOM 0 H ALA A 18 -3.070 -7.332 -1.360 1.00 70.14 H new ATOM 0 HA ALA A 18 -1.995 -9.362 0.206 1.00 31.13 H new ATOM 0 HB1 ALA A 18 -0.492 -9.627 -1.657 1.00 41.42 H new ATOM 0 HB2 ALA A 18 -2.188 -9.451 -2.166 1.00 41.42 H new ATOM 0 HB3 ALA A 18 -1.062 -8.083 -2.334 1.00 41.42 H new ATOM 78 N ALA A 19 -0.529 -6.575 0.718 1.00 0.02 N ATOM 79 CA ALA A 19 0.433 -5.971 1.639 1.00 12.14 C ATOM 80 C ALA A 19 0.399 -6.706 3.011 1.00 32.10 C ATOM 81 O ALA A 19 1.437 -6.865 3.652 1.00 62.21 O ATOM 82 CB ALA A 19 0.141 -4.490 1.826 1.00 4.12 C ATOM 0 H ALA A 19 -1.193 -5.918 0.309 1.00 0.02 H new ATOM 0 HA ALA A 19 1.430 -6.072 1.211 1.00 12.14 H new ATOM 0 HB1 ALA A 19 0.868 -4.060 2.515 1.00 4.12 H new ATOM 0 HB2 ALA A 19 0.208 -3.982 0.864 1.00 4.12 H new ATOM 0 HB3 ALA A 19 -0.862 -4.366 2.233 1.00 4.12 H new ATOM 88 N ASP A 20 -0.807 -7.198 3.424 1.00 41.02 N ATOM 89 CA ASP A 20 -0.964 -8.005 4.673 1.00 12.22 C ATOM 90 C ASP A 20 -0.073 -9.237 4.585 1.00 75.53 C ATOM 91 O ASP A 20 0.488 -9.704 5.583 1.00 63.12 O ATOM 92 CB ASP A 20 -2.422 -8.519 4.881 1.00 64.25 C ATOM 93 CG ASP A 20 -3.482 -7.477 5.185 1.00 73.12 C ATOM 94 OD1 ASP A 20 -3.637 -7.107 6.364 1.00 64.14 O ATOM 95 OD2 ASP A 20 -4.225 -7.094 4.250 1.00 71.10 O ATOM 0 H ASP A 20 -1.678 -7.051 2.914 1.00 41.02 H new ATOM 0 HA ASP A 20 -0.697 -7.351 5.503 1.00 12.22 H new ATOM 0 HB2 ASP A 20 -2.723 -9.057 3.982 1.00 64.25 H new ATOM 0 HB3 ASP A 20 -2.413 -9.242 5.697 1.00 64.25 H new ATOM 100 N TYR A 21 0.070 -9.741 3.355 1.00 74.33 N ATOM 101 CA TYR A 21 0.892 -10.949 3.046 1.00 33.43 C ATOM 102 C TYR A 21 2.323 -10.801 3.511 1.00 35.54 C ATOM 103 O TYR A 21 2.953 -11.784 3.926 1.00 14.23 O ATOM 104 CB TYR A 21 0.807 -11.301 1.533 1.00 34.13 C ATOM 105 CG TYR A 21 2.115 -11.682 0.808 1.00 72.41 C ATOM 106 CD1 TYR A 21 2.558 -12.984 0.773 1.00 11.01 C ATOM 107 CD2 TYR A 21 2.870 -10.727 0.124 1.00 24.20 C ATOM 108 CE1 TYR A 21 3.702 -13.348 0.099 1.00 64.21 C ATOM 109 CE2 TYR A 21 4.020 -11.083 -0.563 1.00 1.01 C ATOM 110 CZ TYR A 21 4.427 -12.403 -0.569 1.00 20.32 C ATOM 111 OH TYR A 21 5.568 -12.775 -1.246 1.00 62.02 O ATOM 0 H TYR A 21 -0.376 -9.333 2.534 1.00 74.33 H new ATOM 0 HA TYR A 21 0.473 -11.784 3.608 1.00 33.43 H new ATOM 0 HB2 TYR A 21 0.108 -12.130 1.421 1.00 34.13 H new ATOM 0 HB3 TYR A 21 0.373 -10.446 1.014 1.00 34.13 H new ATOM 0 HD1 TYR A 21 1.991 -13.744 1.290 1.00 11.01 H new ATOM 0 HD2 TYR A 21 2.553 -9.695 0.130 1.00 24.20 H new ATOM 0 HE1 TYR A 21 4.025 -14.378 0.099 1.00 64.21 H new ATOM 0 HE2 TYR A 21 4.593 -10.334 -1.089 1.00 1.01 H new ATOM 0 HH TYR A 21 5.968 -11.987 -1.670 1.00 62.02 H new ATOM 121 N GLN A 22 2.820 -9.582 3.469 1.00 31.53 N ATOM 122 CA GLN A 22 4.165 -9.295 3.892 1.00 11.31 C ATOM 123 C GLN A 22 4.295 -9.603 5.381 1.00 55.31 C ATOM 124 O GLN A 22 5.031 -10.511 5.758 1.00 54.21 O ATOM 125 CB GLN A 22 4.508 -7.833 3.579 1.00 34.51 C ATOM 126 CG GLN A 22 5.902 -7.391 3.993 1.00 5.41 C ATOM 127 CD GLN A 22 7.022 -8.183 3.339 1.00 63.25 C ATOM 128 OE1 GLN A 22 6.891 -8.681 2.220 1.00 12.01 O ATOM 129 NE2 GLN A 22 8.125 -8.302 4.027 1.00 64.12 N ATOM 0 H GLN A 22 2.300 -8.768 3.141 1.00 31.53 H new ATOM 0 HA GLN A 22 4.875 -9.921 3.350 1.00 11.31 H new ATOM 0 HB2 GLN A 22 4.397 -7.672 2.507 1.00 34.51 H new ATOM 0 HB3 GLN A 22 3.779 -7.192 4.074 1.00 34.51 H new ATOM 0 HG2 GLN A 22 6.025 -6.336 3.747 1.00 5.41 H new ATOM 0 HG3 GLN A 22 5.993 -7.479 5.076 1.00 5.41 H new ATOM 0 HE21 GLN A 22 8.198 -7.876 4.951 1.00 64.12 H new ATOM 0 HE22 GLN A 22 8.914 -8.821 3.641 1.00 64.12 H new ATOM 138 N GLN A 23 3.479 -8.934 6.193 1.00 14.11 N ATOM 139 CA GLN A 23 3.506 -9.104 7.658 1.00 2.22 C ATOM 140 C GLN A 23 3.191 -10.537 8.076 1.00 12.45 C ATOM 141 O GLN A 23 3.728 -11.040 9.081 1.00 55.23 O ATOM 142 CB GLN A 23 2.566 -8.120 8.373 1.00 22.20 C ATOM 143 CG GLN A 23 3.115 -6.700 8.568 1.00 23.15 C ATOM 144 CD GLN A 23 3.480 -5.979 7.281 1.00 74.14 C ATOM 145 OE1 GLN A 23 2.652 -5.305 6.680 1.00 44.10 O ATOM 146 NE2 GLN A 23 4.708 -6.101 6.862 1.00 5.13 N ATOM 0 H GLN A 23 2.784 -8.263 5.866 1.00 14.11 H new ATOM 0 HA GLN A 23 4.527 -8.880 7.968 1.00 2.22 H new ATOM 0 HB2 GLN A 23 1.637 -8.056 7.806 1.00 22.20 H new ATOM 0 HB3 GLN A 23 2.315 -8.531 9.351 1.00 22.20 H new ATOM 0 HG2 GLN A 23 2.372 -6.108 9.102 1.00 23.15 H new ATOM 0 HG3 GLN A 23 3.999 -6.751 9.204 1.00 23.15 H new ATOM 0 HE21 GLN A 23 5.372 -6.670 7.387 1.00 5.13 H new ATOM 0 HE22 GLN A 23 5.005 -5.627 6.009 1.00 5.13 H new ATOM 155 N LEU A 24 2.310 -11.189 7.311 1.00 42.05 N ATOM 156 CA LEU A 24 1.987 -12.598 7.521 1.00 74.31 C ATOM 157 C LEU A 24 3.255 -13.414 7.482 1.00 13.15 C ATOM 158 O LEU A 24 3.622 -14.105 8.441 1.00 53.52 O ATOM 159 CB LEU A 24 1.099 -13.122 6.391 1.00 51.43 C ATOM 160 CG LEU A 24 0.752 -14.606 6.501 1.00 20.51 C ATOM 161 CD1 LEU A 24 -0.411 -14.851 7.423 1.00 14.34 C ATOM 162 CD2 LEU A 24 0.561 -15.255 5.155 1.00 51.05 C ATOM 0 H LEU A 24 1.806 -10.757 6.536 1.00 42.05 H new ATOM 0 HA LEU A 24 1.478 -12.684 8.481 1.00 74.31 H new ATOM 0 HB2 LEU A 24 0.174 -12.545 6.374 1.00 51.43 H new ATOM 0 HB3 LEU A 24 1.601 -12.948 5.439 1.00 51.43 H new ATOM 0 HG LEU A 24 1.617 -15.091 6.954 1.00 20.51 H new ATOM 0 HD11 LEU A 24 -0.620 -15.920 7.469 1.00 14.34 H new ATOM 0 HD12 LEU A 24 -0.168 -14.486 8.421 1.00 14.34 H new ATOM 0 HD13 LEU A 24 -1.289 -14.325 7.048 1.00 14.34 H new ATOM 0 HD21 LEU A 24 0.316 -16.309 5.290 1.00 51.05 H new ATOM 0 HD22 LEU A 24 -0.252 -14.759 4.624 1.00 51.05 H new ATOM 0 HD23 LEU A 24 1.480 -15.168 4.575 1.00 51.05 H new ATOM 174 N ARG A 25 3.940 -13.274 6.383 1.00 11.25 N ATOM 175 CA ARG A 25 5.070 -14.045 6.070 1.00 35.04 C ATOM 176 C ARG A 25 6.255 -13.703 6.974 1.00 65.15 C ATOM 177 O ARG A 25 6.990 -14.601 7.381 1.00 50.33 O ATOM 178 CB ARG A 25 5.365 -13.845 4.605 1.00 45.30 C ATOM 179 CG ARG A 25 6.321 -14.816 4.033 1.00 3.14 C ATOM 180 CD ARG A 25 6.457 -14.605 2.547 1.00 12.14 C ATOM 181 NE ARG A 25 7.374 -15.580 1.963 1.00 74.43 N ATOM 182 CZ ARG A 25 7.612 -15.718 0.663 1.00 13.24 C ATOM 183 NH1 ARG A 25 7.077 -14.896 -0.215 1.00 31.04 N ATOM 184 NH2 ARG A 25 8.425 -16.655 0.240 1.00 21.41 N ATOM 0 H ARG A 25 3.703 -12.589 5.665 1.00 11.25 H new ATOM 0 HA ARG A 25 4.877 -15.102 6.254 1.00 35.04 H new ATOM 0 HB2 ARG A 25 4.430 -13.904 4.048 1.00 45.30 H new ATOM 0 HB3 ARG A 25 5.759 -12.839 4.461 1.00 45.30 H new ATOM 0 HG2 ARG A 25 7.293 -14.705 4.513 1.00 3.14 H new ATOM 0 HG3 ARG A 25 5.981 -15.832 4.233 1.00 3.14 H new ATOM 0 HD2 ARG A 25 5.479 -14.690 2.073 1.00 12.14 H new ATOM 0 HD3 ARG A 25 6.820 -13.596 2.351 1.00 12.14 H new ATOM 0 HE ARG A 25 7.869 -16.202 2.601 1.00 74.43 H new ATOM 0 HH11 ARG A 25 6.470 -14.139 0.099 1.00 31.04 H new ATOM 0 HH12 ARG A 25 7.270 -15.016 -1.209 1.00 31.04 H new ATOM 0 HH21 ARG A 25 8.876 -17.279 0.909 1.00 21.41 H new ATOM 0 HH22 ARG A 25 8.607 -16.760 -0.758 1.00 21.41 H new ATOM 198 N GLU A 26 6.404 -12.427 7.320 1.00 64.22 N ATOM 199 CA GLU A 26 7.473 -11.975 8.223 1.00 13.55 C ATOM 200 C GLU A 26 7.360 -12.667 9.579 1.00 15.41 C ATOM 201 O GLU A 26 8.359 -13.166 10.123 1.00 44.02 O ATOM 202 CB GLU A 26 7.430 -10.456 8.401 1.00 35.34 C ATOM 203 CG GLU A 26 7.622 -9.697 7.106 1.00 2.50 C ATOM 204 CD GLU A 26 7.460 -8.202 7.251 1.00 53.15 C ATOM 205 OE1 GLU A 26 6.499 -7.762 7.917 1.00 34.42 O ATOM 206 OE2 GLU A 26 8.247 -7.459 6.628 1.00 13.03 O ATOM 0 H GLU A 26 5.796 -11.678 6.989 1.00 64.22 H new ATOM 0 HA GLU A 26 8.429 -12.243 7.773 1.00 13.55 H new ATOM 0 HB2 GLU A 26 6.473 -10.175 8.840 1.00 35.34 H new ATOM 0 HB3 GLU A 26 8.205 -10.158 9.107 1.00 35.34 H new ATOM 0 HG2 GLU A 26 8.617 -9.910 6.714 1.00 2.50 H new ATOM 0 HG3 GLU A 26 6.905 -10.062 6.371 1.00 2.50 H new ATOM 213 N ARG A 27 6.141 -12.741 10.107 1.00 32.21 N ATOM 214 CA ARG A 27 5.920 -13.397 11.360 1.00 12.12 C ATOM 215 C ARG A 27 6.106 -14.899 11.244 1.00 44.41 C ATOM 216 O ARG A 27 6.649 -15.521 12.139 1.00 32.33 O ATOM 217 CB ARG A 27 4.562 -13.066 11.932 1.00 45.34 C ATOM 218 CG ARG A 27 4.284 -13.847 13.187 1.00 1.53 C ATOM 219 CD ARG A 27 3.101 -13.331 13.906 1.00 10.01 C ATOM 220 NE ARG A 27 2.568 -14.349 14.804 1.00 53.44 N ATOM 221 CZ ARG A 27 1.333 -14.429 15.277 1.00 24.32 C ATOM 222 NH1 ARG A 27 0.435 -13.465 15.033 1.00 23.33 N ATOM 223 NH2 ARG A 27 1.003 -15.492 15.992 1.00 30.32 N ATOM 0 H ARG A 27 5.303 -12.351 9.676 1.00 32.21 H new ATOM 0 HA ARG A 27 6.672 -13.020 12.053 1.00 12.12 H new ATOM 0 HB2 ARG A 27 4.508 -11.999 12.147 1.00 45.34 H new ATOM 0 HB3 ARG A 27 3.792 -13.281 11.191 1.00 45.34 H new ATOM 0 HG2 ARG A 27 4.127 -14.896 12.935 1.00 1.53 H new ATOM 0 HG3 ARG A 27 5.154 -13.804 13.842 1.00 1.53 H new ATOM 0 HD2 ARG A 27 3.372 -12.442 14.475 1.00 10.01 H new ATOM 0 HD3 ARG A 27 2.335 -13.031 13.191 1.00 10.01 H new ATOM 0 HE ARG A 27 3.216 -15.079 15.100 1.00 53.44 H new ATOM 0 HH11 ARG A 27 0.698 -12.653 14.475 1.00 23.33 H new ATOM 0 HH12 ARG A 27 -0.511 -13.544 15.405 1.00 23.33 H new ATOM 0 HH21 ARG A 27 1.692 -16.223 16.167 1.00 30.32 H new ATOM 0 HH22 ARG A 27 0.059 -15.580 16.369 1.00 30.32 H new ATOM 237 N LEU A 28 5.708 -15.463 10.116 1.00 45.21 N ATOM 238 CA LEU A 28 5.809 -16.904 9.889 1.00 11.42 C ATOM 239 C LEU A 28 7.246 -17.335 9.917 1.00 40.25 C ATOM 240 O LEU A 28 7.586 -18.321 10.543 1.00 23.00 O ATOM 241 CB LEU A 28 5.174 -17.297 8.564 1.00 25.34 C ATOM 242 CG LEU A 28 3.659 -17.249 8.505 1.00 41.15 C ATOM 243 CD1 LEU A 28 3.196 -17.368 7.087 1.00 12.34 C ATOM 244 CD2 LEU A 28 3.079 -18.384 9.300 1.00 15.43 C ATOM 0 H LEU A 28 5.308 -14.944 9.334 1.00 45.21 H new ATOM 0 HA LEU A 28 5.268 -17.409 10.689 1.00 11.42 H new ATOM 0 HB2 LEU A 28 5.568 -16.641 7.788 1.00 25.34 H new ATOM 0 HB3 LEU A 28 5.494 -18.309 8.318 1.00 25.34 H new ATOM 0 HG LEU A 28 3.326 -16.298 8.921 1.00 41.15 H new ATOM 0 HD11 LEU A 28 2.107 -17.332 7.056 1.00 12.34 H new ATOM 0 HD12 LEU A 28 3.603 -16.544 6.501 1.00 12.34 H new ATOM 0 HD13 LEU A 28 3.540 -18.314 6.670 1.00 12.34 H new ATOM 0 HD21 LEU A 28 1.991 -18.343 9.253 1.00 15.43 H new ATOM 0 HD22 LEU A 28 3.424 -19.332 8.887 1.00 15.43 H new ATOM 0 HD23 LEU A 28 3.400 -18.303 10.338 1.00 15.43 H new ATOM 256 N ILE A 29 8.073 -16.563 9.257 1.00 54.55 N ATOM 257 CA ILE A 29 9.502 -16.773 9.236 1.00 41.03 C ATOM 258 C ILE A 29 10.039 -16.917 10.671 1.00 33.11 C ATOM 259 O ILE A 29 10.673 -17.902 11.004 1.00 1.14 O ATOM 260 CB ILE A 29 10.179 -15.581 8.499 1.00 64.35 C ATOM 261 CG1 ILE A 29 9.899 -15.658 6.988 1.00 55.52 C ATOM 262 CG2 ILE A 29 11.660 -15.491 8.794 1.00 34.23 C ATOM 263 CD1 ILE A 29 10.409 -14.470 6.195 1.00 25.43 C ATOM 0 H ILE A 29 7.769 -15.758 8.710 1.00 54.55 H new ATOM 0 HA ILE A 29 9.733 -17.695 8.702 1.00 41.03 H new ATOM 0 HB ILE A 29 9.738 -14.660 8.881 1.00 64.35 H new ATOM 0 HG12 ILE A 29 10.354 -16.566 6.592 1.00 55.52 H new ATOM 0 HG13 ILE A 29 8.824 -15.747 6.834 1.00 55.52 H new ATOM 0 HG21 ILE A 29 12.087 -14.644 8.257 1.00 34.23 H new ATOM 0 HG22 ILE A 29 11.810 -15.355 9.865 1.00 34.23 H new ATOM 0 HG23 ILE A 29 12.151 -16.409 8.473 1.00 34.23 H new ATOM 0 HD11 ILE A 29 10.169 -14.607 5.140 1.00 25.43 H new ATOM 0 HD12 ILE A 29 9.935 -13.559 6.560 1.00 25.43 H new ATOM 0 HD13 ILE A 29 11.490 -14.390 6.314 1.00 25.43 H new ATOM 275 N GLN A 30 9.683 -15.984 11.517 1.00 10.50 N ATOM 276 CA GLN A 30 10.156 -15.981 12.883 1.00 50.53 C ATOM 277 C GLN A 30 9.479 -17.052 13.752 1.00 2.43 C ATOM 278 O GLN A 30 10.138 -17.744 14.515 1.00 74.33 O ATOM 279 CB GLN A 30 9.968 -14.600 13.492 1.00 0.52 C ATOM 280 CG GLN A 30 10.831 -13.534 12.840 1.00 73.14 C ATOM 281 CD GLN A 30 12.321 -13.803 12.997 1.00 64.51 C ATOM 282 OE1 GLN A 30 12.762 -14.386 13.972 1.00 25.12 O ATOM 283 NE2 GLN A 30 13.101 -13.378 12.037 1.00 22.13 N ATOM 0 H GLN A 30 9.062 -15.209 11.284 1.00 10.50 H new ATOM 0 HA GLN A 30 11.217 -16.230 12.858 1.00 50.53 H new ATOM 0 HB2 GLN A 30 8.920 -14.312 13.406 1.00 0.52 H new ATOM 0 HB3 GLN A 30 10.200 -14.645 14.556 1.00 0.52 H new ATOM 0 HG2 GLN A 30 10.587 -13.474 11.779 1.00 73.14 H new ATOM 0 HG3 GLN A 30 10.594 -12.564 13.277 1.00 73.14 H new ATOM 0 HE21 GLN A 30 12.702 -12.893 11.233 1.00 22.13 H new ATOM 0 HE22 GLN A 30 14.108 -13.532 12.092 1.00 22.13 H new ATOM 292 N GLU A 31 8.174 -17.219 13.594 1.00 34.22 N ATOM 293 CA GLU A 31 7.410 -18.115 14.457 1.00 70.40 C ATOM 294 C GLU A 31 7.681 -19.596 14.134 1.00 13.41 C ATOM 295 O GLU A 31 7.564 -20.465 15.005 1.00 12.42 O ATOM 296 CB GLU A 31 5.916 -17.804 14.376 1.00 11.21 C ATOM 297 CG GLU A 31 5.153 -18.257 15.612 1.00 4.11 C ATOM 298 CD GLU A 31 3.696 -17.897 15.590 1.00 50.24 C ATOM 299 OE1 GLU A 31 3.364 -16.712 15.775 1.00 51.42 O ATOM 300 OE2 GLU A 31 2.865 -18.799 15.426 1.00 42.45 O ATOM 0 H GLU A 31 7.621 -16.748 12.878 1.00 34.22 H new ATOM 0 HA GLU A 31 7.743 -17.942 15.480 1.00 70.40 H new ATOM 0 HB2 GLU A 31 5.779 -16.731 14.243 1.00 11.21 H new ATOM 0 HB3 GLU A 31 5.495 -18.290 13.496 1.00 11.21 H new ATOM 0 HG2 GLU A 31 5.249 -19.338 15.711 1.00 4.11 H new ATOM 0 HG3 GLU A 31 5.614 -17.814 16.495 1.00 4.11 H new ATOM 307 N LEU A 32 8.017 -19.876 12.885 1.00 54.21 N ATOM 308 CA LEU A 32 8.377 -21.223 12.459 1.00 11.04 C ATOM 309 C LEU A 32 9.872 -21.481 12.664 1.00 44.44 C ATOM 310 O LEU A 32 10.347 -22.584 12.412 1.00 31.11 O ATOM 311 CB LEU A 32 8.033 -21.456 10.978 1.00 42.11 C ATOM 312 CG LEU A 32 6.567 -21.752 10.581 1.00 70.41 C ATOM 313 CD1 LEU A 32 5.597 -20.634 10.935 1.00 75.53 C ATOM 314 CD2 LEU A 32 6.505 -22.056 9.103 1.00 63.41 C ATOM 0 H LEU A 32 8.049 -19.181 12.139 1.00 54.21 H new ATOM 0 HA LEU A 32 7.798 -21.914 13.073 1.00 11.04 H new ATOM 0 HB2 LEU A 32 8.351 -20.572 10.424 1.00 42.11 H new ATOM 0 HB3 LEU A 32 8.643 -22.289 10.627 1.00 42.11 H new ATOM 0 HG LEU A 32 6.247 -22.615 11.164 1.00 70.41 H new ATOM 0 HD11 LEU A 32 4.590 -20.915 10.626 1.00 75.53 H new ATOM 0 HD12 LEU A 32 5.613 -20.466 12.012 1.00 75.53 H new ATOM 0 HD13 LEU A 32 5.893 -19.719 10.421 1.00 75.53 H new ATOM 0 HD21 LEU A 32 5.474 -22.265 8.818 1.00 63.41 H new ATOM 0 HD22 LEU A 32 6.870 -21.198 8.539 1.00 63.41 H new ATOM 0 HD23 LEU A 32 7.126 -22.925 8.884 1.00 63.41 H new ATOM 326 N ASN A 33 10.604 -20.438 13.109 1.00 4.52 N ATOM 327 CA ASN A 33 12.077 -20.493 13.326 1.00 63.33 C ATOM 328 C ASN A 33 12.763 -20.739 11.959 1.00 30.34 C ATOM 329 O ASN A 33 13.843 -21.325 11.847 1.00 25.55 O ATOM 330 CB ASN A 33 12.428 -21.598 14.392 1.00 44.15 C ATOM 331 CG ASN A 33 13.844 -21.512 15.033 1.00 62.44 C ATOM 332 OD1 ASN A 33 14.015 -21.844 16.201 1.00 5.05 O ATOM 333 ND2 ASN A 33 14.854 -21.142 14.289 1.00 22.32 N ATOM 0 H ASN A 33 10.196 -19.530 13.330 1.00 4.52 H new ATOM 0 HA ASN A 33 12.447 -19.550 13.728 1.00 63.33 H new ATOM 0 HB2 ASN A 33 11.687 -21.551 15.190 1.00 44.15 H new ATOM 0 HB3 ASN A 33 12.325 -22.575 13.919 1.00 44.15 H new ATOM 0 HD21 ASN A 33 15.796 -21.127 14.679 1.00 22.32 H new ATOM 0 HD22 ASN A 33 14.699 -20.868 13.319 1.00 22.32 H new ATOM 340 N LEU A 34 12.154 -20.202 10.937 1.00 71.34 N ATOM 341 CA LEU A 34 12.613 -20.361 9.589 1.00 23.31 C ATOM 342 C LEU A 34 13.236 -19.075 9.070 1.00 74.31 C ATOM 343 O LEU A 34 13.401 -18.108 9.801 1.00 31.12 O ATOM 344 CB LEU A 34 11.465 -20.838 8.668 1.00 64.21 C ATOM 345 CG LEU A 34 11.010 -22.287 8.844 1.00 62.43 C ATOM 346 CD1 LEU A 34 9.958 -22.638 7.814 1.00 11.13 C ATOM 347 CD2 LEU A 34 12.190 -23.253 8.753 1.00 41.01 C ATOM 0 H LEU A 34 11.312 -19.633 11.022 1.00 71.34 H new ATOM 0 HA LEU A 34 13.386 -21.129 9.584 1.00 23.31 H new ATOM 0 HB2 LEU A 34 10.605 -20.188 8.829 1.00 64.21 H new ATOM 0 HB3 LEU A 34 11.778 -20.702 7.633 1.00 64.21 H new ATOM 0 HG LEU A 34 10.574 -22.384 9.838 1.00 62.43 H new ATOM 0 HD11 LEU A 34 9.644 -23.673 7.952 1.00 11.13 H new ATOM 0 HD12 LEU A 34 9.098 -21.979 7.933 1.00 11.13 H new ATOM 0 HD13 LEU A 34 10.373 -22.515 6.814 1.00 11.13 H new ATOM 0 HD21 LEU A 34 11.834 -24.275 8.882 1.00 41.01 H new ATOM 0 HD22 LEU A 34 12.666 -23.155 7.777 1.00 41.01 H new ATOM 0 HD23 LEU A 34 12.913 -23.019 9.535 1.00 41.01 H new ATOM 359 N THR A 35 13.613 -19.084 7.826 1.00 11.31 N ATOM 360 CA THR A 35 14.193 -17.940 7.191 1.00 25.45 C ATOM 361 C THR A 35 13.404 -17.695 5.906 1.00 55.53 C ATOM 362 O THR A 35 12.661 -18.586 5.484 1.00 52.22 O ATOM 363 CB THR A 35 15.691 -18.204 6.852 1.00 54.41 C ATOM 364 OG1 THR A 35 15.799 -19.346 6.004 1.00 2.33 O ATOM 365 CG2 THR A 35 16.515 -18.437 8.114 1.00 5.24 C ATOM 0 H THR A 35 13.525 -19.897 7.216 1.00 11.31 H new ATOM 0 HA THR A 35 14.151 -17.073 7.850 1.00 25.45 H new ATOM 0 HB THR A 35 16.080 -17.321 6.345 1.00 54.41 H new ATOM 0 HG1 THR A 35 16.742 -19.508 5.792 1.00 2.33 H new ATOM 0 HG21 THR A 35 17.555 -18.618 7.841 1.00 5.24 H new ATOM 0 HG22 THR A 35 16.456 -17.557 8.755 1.00 5.24 H new ATOM 0 HG23 THR A 35 16.124 -19.303 8.649 1.00 5.24 H new ATOM 373 N PRO A 36 13.531 -16.512 5.258 1.00 42.32 N ATOM 374 CA PRO A 36 12.826 -16.223 3.989 1.00 13.45 C ATOM 375 C PRO A 36 13.168 -17.216 2.860 1.00 64.51 C ATOM 376 O PRO A 36 12.444 -17.323 1.893 1.00 63.44 O ATOM 377 CB PRO A 36 13.310 -14.809 3.615 1.00 13.43 C ATOM 378 CG PRO A 36 14.519 -14.570 4.457 1.00 51.54 C ATOM 379 CD PRO A 36 14.295 -15.337 5.722 1.00 52.41 C ATOM 0 HA PRO A 36 11.746 -16.307 4.114 1.00 13.45 H new ATOM 0 HB2 PRO A 36 13.551 -14.744 2.554 1.00 13.43 H new ATOM 0 HB3 PRO A 36 12.539 -14.064 3.813 1.00 13.43 H new ATOM 0 HG2 PRO A 36 15.422 -14.909 3.949 1.00 51.54 H new ATOM 0 HG3 PRO A 36 14.648 -13.507 4.662 1.00 51.54 H new ATOM 0 HD2 PRO A 36 15.235 -15.625 6.193 1.00 52.41 H new ATOM 0 HD3 PRO A 36 13.737 -14.755 6.455 1.00 52.41 H new ATOM 387 N GLN A 37 14.268 -17.939 3.014 1.00 60.44 N ATOM 388 CA GLN A 37 14.700 -18.903 2.010 1.00 65.02 C ATOM 389 C GLN A 37 14.146 -20.287 2.317 1.00 72.32 C ATOM 390 O GLN A 37 14.020 -21.119 1.440 1.00 25.14 O ATOM 391 CB GLN A 37 16.225 -18.939 1.920 1.00 12.12 C ATOM 392 CG GLN A 37 16.847 -17.609 1.504 1.00 65.34 C ATOM 393 CD GLN A 37 16.387 -17.139 0.128 1.00 12.33 C ATOM 394 OE1 GLN A 37 16.088 -17.929 -0.744 1.00 23.41 O ATOM 395 NE2 GLN A 37 16.330 -15.844 -0.065 1.00 2.53 N ATOM 0 H GLN A 37 14.880 -17.876 3.827 1.00 60.44 H new ATOM 0 HA GLN A 37 14.308 -18.588 1.043 1.00 65.02 H new ATOM 0 HB2 GLN A 37 16.630 -19.232 2.888 1.00 12.12 H new ATOM 0 HB3 GLN A 37 16.520 -19.707 1.205 1.00 12.12 H new ATOM 0 HG2 GLN A 37 16.595 -16.849 2.244 1.00 65.34 H new ATOM 0 HG3 GLN A 37 17.933 -17.706 1.504 1.00 65.34 H new ATOM 0 HE21 GLN A 37 16.587 -15.205 0.687 1.00 2.53 H new ATOM 0 HE22 GLN A 37 16.028 -15.476 -0.967 1.00 2.53 H new ATOM 404 N GLN A 38 13.775 -20.506 3.571 1.00 2.11 N ATOM 405 CA GLN A 38 13.215 -21.791 3.978 1.00 40.45 C ATOM 406 C GLN A 38 11.706 -21.751 3.872 1.00 71.51 C ATOM 407 O GLN A 38 11.023 -22.714 4.193 1.00 74.40 O ATOM 408 CB GLN A 38 13.609 -22.158 5.415 1.00 43.45 C ATOM 409 CG GLN A 38 15.095 -22.374 5.649 1.00 51.14 C ATOM 410 CD GLN A 38 15.683 -23.451 4.764 1.00 64.03 C ATOM 411 OE1 GLN A 38 16.168 -23.180 3.690 1.00 3.41 O ATOM 412 NE2 GLN A 38 15.628 -24.677 5.211 1.00 52.42 N ATOM 0 H GLN A 38 13.850 -19.818 4.320 1.00 2.11 H new ATOM 0 HA GLN A 38 13.621 -22.550 3.310 1.00 40.45 H new ATOM 0 HB2 GLN A 38 13.265 -21.367 6.081 1.00 43.45 H new ATOM 0 HB3 GLN A 38 13.078 -23.067 5.698 1.00 43.45 H new ATOM 0 HG2 GLN A 38 15.625 -21.438 5.473 1.00 51.14 H new ATOM 0 HG3 GLN A 38 15.258 -22.641 6.693 1.00 51.14 H new ATOM 0 HE21 GLN A 38 15.212 -24.869 6.122 1.00 52.42 H new ATOM 0 HE22 GLN A 38 16.001 -25.442 4.649 1.00 52.42 H new ATOM 421 N LEU A 39 11.199 -20.627 3.441 1.00 55.23 N ATOM 422 CA LEU A 39 9.794 -20.445 3.287 1.00 64.34 C ATOM 423 C LEU A 39 9.575 -19.766 1.946 1.00 32.23 C ATOM 424 O LEU A 39 9.529 -18.532 1.848 1.00 14.44 O ATOM 425 CB LEU A 39 9.221 -19.620 4.477 1.00 73.14 C ATOM 426 CG LEU A 39 7.702 -19.682 4.751 1.00 72.33 C ATOM 427 CD1 LEU A 39 7.387 -18.992 6.065 1.00 12.22 C ATOM 428 CD2 LEU A 39 6.900 -19.037 3.643 1.00 3.21 C ATOM 0 H LEU A 39 11.758 -19.812 3.188 1.00 55.23 H new ATOM 0 HA LEU A 39 9.263 -21.397 3.299 1.00 64.34 H new ATOM 0 HB2 LEU A 39 9.735 -19.943 5.382 1.00 73.14 H new ATOM 0 HB3 LEU A 39 9.487 -18.575 4.315 1.00 73.14 H new ATOM 0 HG LEU A 39 7.422 -20.734 4.801 1.00 72.33 H new ATOM 0 HD11 LEU A 39 6.314 -19.039 6.253 1.00 12.22 H new ATOM 0 HD12 LEU A 39 7.919 -19.491 6.875 1.00 12.22 H new ATOM 0 HD13 LEU A 39 7.701 -17.949 6.013 1.00 12.22 H new ATOM 0 HD21 LEU A 39 5.837 -19.103 3.877 1.00 3.21 H new ATOM 0 HD22 LEU A 39 7.186 -17.989 3.549 1.00 3.21 H new ATOM 0 HD23 LEU A 39 7.097 -19.553 2.703 1.00 3.21 H new ATOM 440 N HIS A 40 9.537 -20.572 0.921 1.00 55.34 N ATOM 441 CA HIS A 40 9.325 -20.128 -0.437 1.00 4.32 C ATOM 442 C HIS A 40 7.809 -20.059 -0.698 1.00 53.20 C ATOM 443 O HIS A 40 7.026 -20.564 0.112 1.00 61.12 O ATOM 444 CB HIS A 40 10.066 -21.080 -1.412 1.00 4.30 C ATOM 445 CG HIS A 40 9.944 -20.746 -2.874 1.00 71.44 C ATOM 446 ND1 HIS A 40 9.270 -21.532 -3.760 1.00 54.11 N ATOM 447 CD2 HIS A 40 10.421 -19.699 -3.591 1.00 61.11 C ATOM 448 CE1 HIS A 40 9.338 -20.975 -4.962 1.00 12.42 C ATOM 449 NE2 HIS A 40 10.030 -19.851 -4.922 1.00 2.02 N ATOM 0 H HIS A 40 9.655 -21.582 1.005 1.00 55.34 H new ATOM 0 HA HIS A 40 9.735 -19.131 -0.599 1.00 4.32 H new ATOM 0 HB2 HIS A 40 11.123 -21.089 -1.148 1.00 4.30 H new ATOM 0 HB3 HIS A 40 9.691 -22.092 -1.257 1.00 4.30 H new ATOM 0 HD1 HIS A 40 8.792 -22.405 -3.536 1.00 54.11 H new ATOM 0 HD2 HIS A 40 11.007 -18.882 -3.197 1.00 61.11 H new ATOM 0 HE1 HIS A 40 8.888 -21.386 -5.854 1.00 12.42 H new ATOM 457 N GLU A 41 7.413 -19.396 -1.781 1.00 1.11 N ATOM 458 CA GLU A 41 6.006 -19.154 -2.123 1.00 61.44 C ATOM 459 C GLU A 41 5.139 -20.432 -2.011 1.00 1.51 C ATOM 460 O GLU A 41 4.122 -20.453 -1.311 1.00 55.34 O ATOM 461 CB GLU A 41 5.866 -18.602 -3.564 1.00 22.41 C ATOM 462 CG GLU A 41 6.876 -17.533 -3.981 1.00 71.14 C ATOM 463 CD GLU A 41 7.061 -16.440 -2.966 1.00 73.32 C ATOM 464 OE1 GLU A 41 6.158 -15.592 -2.777 1.00 52.10 O ATOM 465 OE2 GLU A 41 8.121 -16.427 -2.323 1.00 11.22 O ATOM 0 H GLU A 41 8.067 -19.004 -2.459 1.00 1.11 H new ATOM 0 HA GLU A 41 5.649 -18.420 -1.400 1.00 61.44 H new ATOM 0 HB2 GLU A 41 5.945 -19.437 -4.260 1.00 22.41 H new ATOM 0 HB3 GLU A 41 4.864 -18.188 -3.676 1.00 22.41 H new ATOM 0 HG2 GLU A 41 7.839 -18.010 -4.167 1.00 71.14 H new ATOM 0 HG3 GLU A 41 6.553 -17.090 -4.923 1.00 71.14 H new ATOM 472 N GLU A 42 5.566 -21.490 -2.657 1.00 11.54 N ATOM 473 CA GLU A 42 4.773 -22.713 -2.748 1.00 54.34 C ATOM 474 C GLU A 42 5.033 -23.700 -1.609 1.00 0.13 C ATOM 475 O GLU A 42 4.462 -24.790 -1.580 1.00 62.14 O ATOM 476 CB GLU A 42 4.941 -23.371 -4.138 1.00 34.43 C ATOM 477 CG GLU A 42 6.376 -23.426 -4.668 1.00 52.01 C ATOM 478 CD GLU A 42 7.335 -24.184 -3.770 1.00 33.04 C ATOM 479 OE1 GLU A 42 7.894 -23.547 -2.833 1.00 75.24 O ATOM 480 OE2 GLU A 42 7.550 -25.362 -3.992 1.00 2.52 O ATOM 0 H GLU A 42 6.466 -21.538 -3.135 1.00 11.54 H new ATOM 0 HA GLU A 42 3.730 -22.417 -2.632 1.00 54.34 H new ATOM 0 HB2 GLU A 42 4.550 -24.387 -4.090 1.00 34.43 H new ATOM 0 HB3 GLU A 42 4.327 -22.827 -4.856 1.00 34.43 H new ATOM 0 HG2 GLU A 42 6.371 -23.892 -5.653 1.00 52.01 H new ATOM 0 HG3 GLU A 42 6.744 -22.408 -4.799 1.00 52.01 H new ATOM 487 N SER A 43 5.855 -23.308 -0.673 1.00 75.42 N ATOM 488 CA SER A 43 6.178 -24.159 0.424 1.00 72.13 C ATOM 489 C SER A 43 4.978 -24.271 1.378 1.00 2.51 C ATOM 490 O SER A 43 4.399 -23.253 1.804 1.00 14.23 O ATOM 491 CB SER A 43 7.407 -23.614 1.127 1.00 44.21 C ATOM 492 OG SER A 43 8.459 -23.405 0.183 1.00 10.41 O ATOM 0 H SER A 43 6.313 -22.397 -0.655 1.00 75.42 H new ATOM 0 HA SER A 43 6.402 -25.164 0.066 1.00 72.13 H new ATOM 0 HB2 SER A 43 7.164 -22.676 1.626 1.00 44.21 H new ATOM 0 HB3 SER A 43 7.733 -24.311 1.899 1.00 44.21 H new ATOM 0 HG SER A 43 9.325 -23.523 0.627 1.00 10.41 H new ATOM 498 N ASN A 44 4.572 -25.505 1.653 1.00 10.54 N ATOM 499 CA ASN A 44 3.449 -25.768 2.545 1.00 23.15 C ATOM 500 C ASN A 44 3.854 -25.390 3.947 1.00 43.03 C ATOM 501 O ASN A 44 4.825 -25.923 4.470 1.00 55.41 O ATOM 502 CB ASN A 44 3.066 -27.256 2.542 1.00 74.34 C ATOM 503 CG ASN A 44 1.704 -27.548 3.201 1.00 62.21 C ATOM 504 OD1 ASN A 44 1.287 -26.882 4.141 1.00 10.35 O ATOM 505 ND2 ASN A 44 1.012 -28.545 2.706 1.00 0.22 N ATOM 0 H ASN A 44 5.007 -26.344 1.268 1.00 10.54 H new ATOM 0 HA ASN A 44 2.594 -25.186 2.202 1.00 23.15 H new ATOM 0 HB2 ASN A 44 3.046 -27.614 1.513 1.00 74.34 H new ATOM 0 HB3 ASN A 44 3.839 -27.822 3.061 1.00 74.34 H new ATOM 0 HD21 ASN A 44 0.103 -28.782 3.104 1.00 0.22 H new ATOM 0 HD22 ASN A 44 1.382 -29.084 1.923 1.00 0.22 H new ATOM 512 N LEU A 45 3.103 -24.511 4.561 1.00 31.11 N ATOM 513 CA LEU A 45 3.428 -24.042 5.895 1.00 12.00 C ATOM 514 C LEU A 45 3.228 -25.123 6.923 1.00 40.42 C ATOM 515 O LEU A 45 3.986 -25.219 7.874 1.00 61.31 O ATOM 516 CB LEU A 45 2.598 -22.840 6.271 1.00 33.32 C ATOM 517 CG LEU A 45 2.741 -21.627 5.386 1.00 65.13 C ATOM 518 CD1 LEU A 45 1.886 -20.503 5.927 1.00 20.24 C ATOM 519 CD2 LEU A 45 4.200 -21.194 5.291 1.00 3.13 C ATOM 0 H LEU A 45 2.259 -24.101 4.161 1.00 31.11 H new ATOM 0 HA LEU A 45 4.480 -23.758 5.880 1.00 12.00 H new ATOM 0 HB2 LEU A 45 1.549 -23.137 6.278 1.00 33.32 H new ATOM 0 HB3 LEU A 45 2.855 -22.552 7.290 1.00 33.32 H new ATOM 0 HG LEU A 45 2.403 -21.881 4.381 1.00 65.13 H new ATOM 0 HD11 LEU A 45 1.990 -19.627 5.287 1.00 20.24 H new ATOM 0 HD12 LEU A 45 0.842 -20.817 5.946 1.00 20.24 H new ATOM 0 HD13 LEU A 45 2.209 -20.254 6.938 1.00 20.24 H new ATOM 0 HD21 LEU A 45 4.278 -20.318 4.648 1.00 3.13 H new ATOM 0 HD22 LEU A 45 4.572 -20.948 6.286 1.00 3.13 H new ATOM 0 HD23 LEU A 45 4.794 -22.006 4.872 1.00 3.13 H new ATOM 531 N ILE A 46 2.224 -25.946 6.717 1.00 42.21 N ATOM 532 CA ILE A 46 1.924 -27.038 7.651 1.00 42.31 C ATOM 533 C ILE A 46 3.087 -28.024 7.659 1.00 65.33 C ATOM 534 O ILE A 46 3.543 -28.475 8.705 1.00 21.34 O ATOM 535 CB ILE A 46 0.593 -27.758 7.283 1.00 74.13 C ATOM 536 CG1 ILE A 46 -0.566 -26.743 7.292 1.00 44.24 C ATOM 537 CG2 ILE A 46 0.311 -28.913 8.252 1.00 54.34 C ATOM 538 CD1 ILE A 46 -1.919 -27.330 6.936 1.00 70.14 C ATOM 0 H ILE A 46 1.595 -25.890 5.916 1.00 42.21 H new ATOM 0 HA ILE A 46 1.795 -26.618 8.649 1.00 42.31 H new ATOM 0 HB ILE A 46 0.686 -28.180 6.282 1.00 74.13 H new ATOM 0 HG12 ILE A 46 -0.629 -26.291 8.282 1.00 44.24 H new ATOM 0 HG13 ILE A 46 -0.336 -25.941 6.590 1.00 44.24 H new ATOM 0 HG21 ILE A 46 -0.624 -29.401 7.975 1.00 54.34 H new ATOM 0 HG22 ILE A 46 1.126 -29.636 8.204 1.00 54.34 H new ATOM 0 HG23 ILE A 46 0.230 -28.525 9.267 1.00 54.34 H new ATOM 0 HD11 ILE A 46 -2.675 -26.546 6.967 1.00 70.14 H new ATOM 0 HD12 ILE A 46 -1.879 -27.756 5.933 1.00 70.14 H new ATOM 0 HD13 ILE A 46 -2.176 -28.111 7.651 1.00 70.14 H new ATOM 550 N GLN A 47 3.635 -28.238 6.481 1.00 32.40 N ATOM 551 CA GLN A 47 4.777 -29.121 6.282 1.00 71.43 C ATOM 552 C GLN A 47 6.065 -28.454 6.785 1.00 51.02 C ATOM 553 O GLN A 47 7.110 -29.083 6.870 1.00 23.40 O ATOM 554 CB GLN A 47 4.904 -29.475 4.790 1.00 1.43 C ATOM 555 CG GLN A 47 3.731 -30.270 4.224 1.00 3.15 C ATOM 556 CD GLN A 47 3.470 -31.565 4.968 1.00 70.24 C ATOM 557 OE1 GLN A 47 2.699 -31.604 5.903 1.00 1.53 O ATOM 558 NE2 GLN A 47 4.119 -32.626 4.559 1.00 65.40 N ATOM 0 H GLN A 47 3.300 -27.801 5.622 1.00 32.40 H new ATOM 0 HA GLN A 47 4.621 -30.036 6.853 1.00 71.43 H new ATOM 0 HB2 GLN A 47 5.010 -28.553 4.219 1.00 1.43 H new ATOM 0 HB3 GLN A 47 5.819 -30.048 4.643 1.00 1.43 H new ATOM 0 HG2 GLN A 47 2.833 -29.653 4.257 1.00 3.15 H new ATOM 0 HG3 GLN A 47 3.925 -30.494 3.175 1.00 3.15 H new ATOM 0 HE21 GLN A 47 4.760 -32.558 3.769 1.00 65.40 H new ATOM 0 HE22 GLN A 47 3.983 -33.520 5.030 1.00 65.40 H new ATOM 567 N ALA A 48 5.966 -27.173 7.098 1.00 44.20 N ATOM 568 CA ALA A 48 7.088 -26.389 7.564 1.00 43.52 C ATOM 569 C ALA A 48 6.994 -26.112 9.073 1.00 34.41 C ATOM 570 O ALA A 48 7.833 -25.418 9.633 1.00 71.25 O ATOM 571 CB ALA A 48 7.171 -25.081 6.777 1.00 61.35 C ATOM 0 H ALA A 48 5.095 -26.647 7.034 1.00 44.20 H new ATOM 0 HA ALA A 48 7.999 -26.963 7.396 1.00 43.52 H new ATOM 0 HB1 ALA A 48 8.018 -24.495 7.133 1.00 61.35 H new ATOM 0 HB2 ALA A 48 7.302 -25.301 5.718 1.00 61.35 H new ATOM 0 HB3 ALA A 48 6.252 -24.512 6.918 1.00 61.35 H new ATOM 577 N GLY A 49 5.965 -26.652 9.729 1.00 43.22 N ATOM 578 CA GLY A 49 5.857 -26.479 11.174 1.00 20.24 C ATOM 579 C GLY A 49 4.645 -25.675 11.631 1.00 40.41 C ATOM 580 O GLY A 49 4.520 -25.351 12.818 1.00 43.12 O ATOM 0 H GLY A 49 5.218 -27.196 9.298 1.00 43.22 H new ATOM 0 HA2 GLY A 49 5.821 -27.463 11.642 1.00 20.24 H new ATOM 0 HA3 GLY A 49 6.760 -25.987 11.536 1.00 20.24 H new ATOM 584 N LEU A 50 3.766 -25.342 10.719 1.00 13.34 N ATOM 585 CA LEU A 50 2.553 -24.614 11.066 1.00 74.40 C ATOM 586 C LEU A 50 1.471 -25.614 11.414 1.00 33.42 C ATOM 587 O LEU A 50 1.071 -26.408 10.570 1.00 62.31 O ATOM 588 CB LEU A 50 2.075 -23.777 9.870 1.00 63.35 C ATOM 589 CG LEU A 50 0.968 -22.761 10.140 1.00 40.33 C ATOM 590 CD1 LEU A 50 1.546 -21.522 10.777 1.00 5.41 C ATOM 591 CD2 LEU A 50 0.215 -22.416 8.870 1.00 23.21 C ATOM 0 H LEU A 50 3.860 -25.560 9.727 1.00 13.34 H new ATOM 0 HA LEU A 50 2.760 -23.955 11.909 1.00 74.40 H new ATOM 0 HB2 LEU A 50 2.934 -23.243 9.464 1.00 63.35 H new ATOM 0 HB3 LEU A 50 1.728 -24.460 9.094 1.00 63.35 H new ATOM 0 HG LEU A 50 0.254 -23.209 10.831 1.00 40.33 H new ATOM 0 HD11 LEU A 50 0.748 -20.804 10.965 1.00 5.41 H new ATOM 0 HD12 LEU A 50 2.025 -21.787 11.719 1.00 5.41 H new ATOM 0 HD13 LEU A 50 2.283 -21.078 10.107 1.00 5.41 H new ATOM 0 HD21 LEU A 50 -0.566 -21.690 9.096 1.00 23.21 H new ATOM 0 HD22 LEU A 50 0.906 -21.991 8.142 1.00 23.21 H new ATOM 0 HD23 LEU A 50 -0.236 -23.319 8.458 1.00 23.21 H new ATOM 603 N ASP A 51 1.021 -25.592 12.648 1.00 22.44 N ATOM 604 CA ASP A 51 -0.064 -26.423 13.068 1.00 72.44 C ATOM 605 C ASP A 51 -1.347 -25.821 12.543 1.00 11.42 C ATOM 606 O ASP A 51 -1.368 -24.658 12.094 1.00 1.12 O ATOM 607 CB ASP A 51 -0.085 -26.556 14.611 1.00 50.52 C ATOM 608 CG ASP A 51 -0.021 -25.218 15.327 1.00 21.14 C ATOM 609 OD1 ASP A 51 1.089 -24.639 15.414 1.00 31.52 O ATOM 610 OD2 ASP A 51 -1.063 -24.714 15.798 1.00 2.30 O ATOM 0 H ASP A 51 1.402 -24.995 13.382 1.00 22.44 H new ATOM 0 HA ASP A 51 0.053 -27.430 12.668 1.00 72.44 H new ATOM 0 HB2 ASP A 51 -0.993 -27.079 14.912 1.00 50.52 H new ATOM 0 HB3 ASP A 51 0.757 -27.171 14.928 1.00 50.52 H new ATOM 667 N ILE A 53 -3.833 -25.180 14.212 1.00 52.33 N ATOM 668 CA ILE A 53 -4.320 -24.322 15.190 1.00 43.25 C ATOM 669 C ILE A 53 -3.736 -22.952 14.907 1.00 44.31 C ATOM 670 O ILE A 53 -4.414 -21.948 15.030 1.00 72.11 O ATOM 671 CB ILE A 53 -4.046 -24.836 16.614 1.00 32.02 C ATOM 672 CG1 ILE A 53 -4.808 -26.171 16.783 1.00 13.21 C ATOM 673 CG2 ILE A 53 -4.486 -23.806 17.667 1.00 24.11 C ATOM 674 CD1 ILE A 53 -4.903 -26.695 18.194 1.00 31.51 C ATOM 0 HA ILE A 53 -5.408 -24.265 15.149 1.00 43.25 H new ATOM 0 HB ILE A 53 -2.977 -24.993 16.761 1.00 32.02 H new ATOM 0 HG12 ILE A 53 -5.818 -26.044 16.393 1.00 13.21 H new ATOM 0 HG13 ILE A 53 -4.321 -26.927 16.166 1.00 13.21 H new ATOM 0 HG21 ILE A 53 -4.281 -24.195 18.664 1.00 24.11 H new ATOM 0 HG22 ILE A 53 -3.935 -22.877 17.520 1.00 24.11 H new ATOM 0 HG23 ILE A 53 -5.554 -23.615 17.565 1.00 24.11 H new ATOM 0 HD11 ILE A 53 -5.457 -27.634 18.197 1.00 31.51 H new ATOM 0 HD12 ILE A 53 -3.901 -26.863 18.588 1.00 31.51 H new ATOM 0 HD13 ILE A 53 -5.421 -25.967 18.818 1.00 31.51 H new ATOM 686 N ARG A 54 -2.473 -22.922 14.474 1.00 41.23 N ATOM 687 CA ARG A 54 -1.835 -21.714 14.005 1.00 43.13 C ATOM 688 C ARG A 54 -2.495 -21.191 12.782 1.00 51.55 C ATOM 689 O ARG A 54 -2.719 -20.006 12.673 1.00 34.33 O ATOM 690 CB ARG A 54 -0.401 -21.928 13.695 1.00 31.10 C ATOM 691 CG ARG A 54 0.523 -21.640 14.821 1.00 11.32 C ATOM 692 CD ARG A 54 1.886 -21.747 14.296 1.00 33.41 C ATOM 693 NE ARG A 54 2.947 -21.439 15.246 1.00 51.55 N ATOM 694 CZ ARG A 54 3.862 -22.330 15.636 1.00 2.04 C ATOM 695 NH1 ARG A 54 3.557 -23.635 15.646 1.00 72.02 N ATOM 696 NH2 ARG A 54 5.036 -21.918 16.124 1.00 22.23 N ATOM 0 H ARG A 54 -1.871 -23.745 14.443 1.00 41.23 H new ATOM 0 HA ARG A 54 -1.928 -20.993 14.817 1.00 43.13 H new ATOM 0 HB2 ARG A 54 -0.261 -22.963 13.382 1.00 31.10 H new ATOM 0 HB3 ARG A 54 -0.128 -21.299 12.848 1.00 31.10 H new ATOM 0 HG2 ARG A 54 0.342 -20.643 15.223 1.00 11.32 H new ATOM 0 HG3 ARG A 54 0.368 -22.346 15.637 1.00 11.32 H new ATOM 0 HD2 ARG A 54 2.036 -22.761 13.926 1.00 33.41 H new ATOM 0 HD3 ARG A 54 1.982 -21.078 13.441 1.00 33.41 H new ATOM 0 HE ARG A 54 2.993 -20.496 15.632 1.00 51.55 H new ATOM 0 HH11 ARG A 54 2.629 -23.944 15.356 1.00 72.02 H new ATOM 0 HH12 ARG A 54 4.253 -24.319 15.943 1.00 72.02 H new ATOM 0 HH21 ARG A 54 5.235 -20.920 16.199 1.00 22.23 H new ATOM 0 HH22 ARG A 54 5.733 -22.601 16.421 1.00 22.23 H new ATOM 710 N LEU A 55 -2.830 -22.075 11.862 1.00 75.15 N ATOM 711 CA LEU A 55 -3.457 -21.644 10.637 1.00 22.23 C ATOM 712 C LEU A 55 -4.831 -21.080 10.900 1.00 52.22 C ATOM 713 O LEU A 55 -5.183 -20.031 10.362 1.00 24.23 O ATOM 714 CB LEU A 55 -3.467 -22.738 9.580 1.00 33.34 C ATOM 715 CG LEU A 55 -3.834 -22.292 8.156 1.00 71.03 C ATOM 716 CD1 LEU A 55 -3.395 -23.312 7.194 1.00 61.35 C ATOM 717 CD2 LEU A 55 -5.314 -22.054 7.972 1.00 34.42 C ATOM 0 H LEU A 55 -2.680 -23.081 11.941 1.00 75.15 H new ATOM 0 HA LEU A 55 -2.852 -20.837 10.225 1.00 22.23 H new ATOM 0 HB2 LEU A 55 -2.480 -23.199 9.552 1.00 33.34 H new ATOM 0 HB3 LEU A 55 -4.171 -23.510 9.891 1.00 33.34 H new ATOM 0 HG LEU A 55 -3.326 -21.343 7.984 1.00 71.03 H new ATOM 0 HD11 LEU A 55 -3.655 -22.996 6.184 1.00 61.35 H new ATOM 0 HD12 LEU A 55 -2.315 -23.440 7.267 1.00 61.35 H new ATOM 0 HD13 LEU A 55 -3.888 -24.258 7.416 1.00 61.35 H new ATOM 0 HD21 LEU A 55 -5.507 -21.742 6.946 1.00 34.42 H new ATOM 0 HD22 LEU A 55 -5.859 -22.975 8.180 1.00 34.42 H new ATOM 0 HD23 LEU A 55 -5.645 -21.274 8.657 1.00 34.42 H new ATOM 729 N MET A 56 -5.613 -21.743 11.726 1.00 44.21 N ATOM 730 CA MET A 56 -6.903 -21.186 12.085 1.00 23.01 C ATOM 731 C MET A 56 -6.704 -19.866 12.798 1.00 5.20 C ATOM 732 O MET A 56 -7.496 -18.934 12.644 1.00 3.43 O ATOM 733 CB MET A 56 -7.701 -22.104 12.961 1.00 44.41 C ATOM 734 CG MET A 56 -9.041 -21.504 13.392 1.00 30.32 C ATOM 735 SD MET A 56 -9.592 -22.176 14.935 1.00 13.22 S ATOM 736 CE MET A 56 -8.173 -21.692 15.911 1.00 73.22 C ATOM 0 H MET A 56 -5.389 -22.642 12.152 1.00 44.21 H new ATOM 0 HA MET A 56 -7.462 -21.044 11.160 1.00 23.01 H new ATOM 0 HB2 MET A 56 -7.882 -23.038 12.430 1.00 44.41 H new ATOM 0 HB3 MET A 56 -7.117 -22.350 13.848 1.00 44.41 H new ATOM 0 HG2 MET A 56 -8.944 -20.422 13.480 1.00 30.32 H new ATOM 0 HG3 MET A 56 -9.790 -21.695 12.623 1.00 30.32 H new ATOM 0 HE1 MET A 56 -8.488 -21.484 16.933 1.00 73.22 H new ATOM 0 HE2 MET A 56 -7.441 -22.500 15.914 1.00 73.22 H new ATOM 0 HE3 MET A 56 -7.724 -20.797 15.481 1.00 73.22 H new ATOM 746 N ARG A 57 -5.640 -19.786 13.573 1.00 70.43 N ATOM 747 CA ARG A 57 -5.290 -18.570 14.214 1.00 55.33 C ATOM 748 C ARG A 57 -4.958 -17.465 13.189 1.00 3.05 C ATOM 749 O ARG A 57 -5.160 -16.285 13.460 1.00 4.51 O ATOM 750 CB ARG A 57 -4.172 -18.772 15.188 1.00 33.23 C ATOM 751 CG ARG A 57 -4.683 -19.311 16.502 1.00 34.11 C ATOM 752 CD ARG A 57 -3.569 -19.581 17.450 1.00 21.43 C ATOM 753 NE ARG A 57 -2.793 -20.802 17.096 1.00 20.42 N ATOM 754 CZ ARG A 57 -1.720 -21.296 17.774 1.00 23.00 C ATOM 755 NH1 ARG A 57 -1.190 -20.597 18.782 1.00 34.41 N ATOM 756 NH2 ARG A 57 -1.172 -22.484 17.429 1.00 20.32 N ATOM 0 H ARG A 57 -5.010 -20.565 13.764 1.00 70.43 H new ATOM 0 HA ARG A 57 -6.159 -18.234 14.779 1.00 55.33 H new ATOM 0 HB2 ARG A 57 -3.441 -19.463 14.768 1.00 33.23 H new ATOM 0 HB3 ARG A 57 -3.657 -17.826 15.356 1.00 33.23 H new ATOM 0 HG2 ARG A 57 -5.375 -18.595 16.946 1.00 34.11 H new ATOM 0 HG3 ARG A 57 -5.244 -20.229 16.327 1.00 34.11 H new ATOM 0 HD2 ARG A 57 -2.898 -18.722 17.469 1.00 21.43 H new ATOM 0 HD3 ARG A 57 -3.973 -19.692 18.456 1.00 21.43 H new ATOM 0 HE ARG A 57 -3.093 -21.317 16.268 1.00 20.42 H new ATOM 0 HH11 ARG A 57 -1.589 -19.695 19.042 1.00 34.41 H new ATOM 0 HH12 ARG A 57 -0.386 -20.965 19.291 1.00 34.41 H new ATOM 0 HH21 ARG A 57 -1.562 -23.020 16.654 1.00 20.32 H new ATOM 0 HH22 ARG A 57 -0.369 -22.844 17.944 1.00 20.32 H new ATOM 770 N TRP A 58 -4.475 -17.864 11.984 1.00 10.53 N ATOM 771 CA TRP A 58 -4.219 -16.907 10.914 1.00 42.44 C ATOM 772 C TRP A 58 -5.497 -16.449 10.287 1.00 13.43 C ATOM 773 O TRP A 58 -5.630 -15.292 9.933 1.00 1.24 O ATOM 774 CB TRP A 58 -3.299 -17.458 9.829 1.00 63.44 C ATOM 775 CG TRP A 58 -1.881 -17.532 10.229 1.00 31.43 C ATOM 776 CD1 TRP A 58 -1.098 -18.638 10.284 1.00 52.24 C ATOM 777 CD2 TRP A 58 -1.065 -16.428 10.628 1.00 34.54 C ATOM 778 NE1 TRP A 58 0.162 -18.289 10.704 1.00 32.51 N ATOM 779 CE2 TRP A 58 0.205 -16.932 10.913 1.00 42.31 C ATOM 780 CE3 TRP A 58 -1.295 -15.053 10.768 1.00 44.25 C ATOM 781 CZ2 TRP A 58 1.254 -16.109 11.329 1.00 12.22 C ATOM 782 CZ3 TRP A 58 -0.262 -14.246 11.174 1.00 41.43 C ATOM 783 CH2 TRP A 58 0.996 -14.779 11.448 1.00 74.03 C ATOM 0 H TRP A 58 -4.262 -18.833 11.746 1.00 10.53 H new ATOM 0 HA TRP A 58 -3.713 -16.064 11.384 1.00 42.44 H new ATOM 0 HB2 TRP A 58 -3.640 -18.455 9.549 1.00 63.44 H new ATOM 0 HB3 TRP A 58 -3.384 -16.831 8.941 1.00 63.44 H new ATOM 0 HD1 TRP A 58 -1.417 -19.640 10.036 1.00 52.24 H new ATOM 0 HE1 TRP A 58 0.941 -18.934 10.839 1.00 32.51 H new ATOM 0 HE3 TRP A 58 -2.269 -14.635 10.560 1.00 44.25 H new ATOM 0 HZ2 TRP A 58 2.232 -16.513 11.548 1.00 12.22 H new ATOM 0 HZ3 TRP A 58 -0.426 -13.184 11.283 1.00 41.43 H new ATOM 0 HH2 TRP A 58 1.789 -14.117 11.764 1.00 74.03 H new ATOM 794 N LEU A 59 -6.451 -17.357 10.159 1.00 4.31 N ATOM 795 CA LEU A 59 -7.749 -17.020 9.593 1.00 30.14 C ATOM 796 C LEU A 59 -8.405 -15.959 10.462 1.00 63.11 C ATOM 797 O LEU A 59 -9.067 -15.044 9.958 1.00 34.32 O ATOM 798 CB LEU A 59 -8.624 -18.285 9.450 1.00 74.50 C ATOM 799 CG LEU A 59 -9.948 -18.165 8.651 1.00 45.24 C ATOM 800 CD1 LEU A 59 -11.042 -17.472 9.422 1.00 31.32 C ATOM 801 CD2 LEU A 59 -9.715 -17.463 7.325 1.00 74.11 C ATOM 0 H LEU A 59 -6.352 -18.333 10.439 1.00 4.31 H new ATOM 0 HA LEU A 59 -7.626 -16.612 8.590 1.00 30.14 H new ATOM 0 HB2 LEU A 59 -8.018 -19.059 8.979 1.00 74.50 H new ATOM 0 HB3 LEU A 59 -8.869 -18.637 10.452 1.00 74.50 H new ATOM 0 HG LEU A 59 -10.287 -19.184 8.466 1.00 45.24 H new ATOM 0 HD11 LEU A 59 -11.942 -17.419 8.809 1.00 31.32 H new ATOM 0 HD12 LEU A 59 -11.256 -18.031 10.333 1.00 31.32 H new ATOM 0 HD13 LEU A 59 -10.721 -16.463 9.682 1.00 31.32 H new ATOM 0 HD21 LEU A 59 -10.657 -17.390 6.782 1.00 74.11 H new ATOM 0 HD22 LEU A 59 -9.323 -16.463 7.507 1.00 74.11 H new ATOM 0 HD23 LEU A 59 -8.998 -18.032 6.733 1.00 74.11 H new ATOM 813 N HIS A 60 -8.184 -16.079 11.759 1.00 52.20 N ATOM 814 CA HIS A 60 -8.628 -15.087 12.714 1.00 32.24 C ATOM 815 C HIS A 60 -8.037 -13.746 12.376 1.00 11.25 C ATOM 816 O HIS A 60 -8.749 -12.773 12.283 1.00 43.52 O ATOM 817 CB HIS A 60 -8.250 -15.484 14.136 1.00 44.30 C ATOM 818 CG HIS A 60 -9.169 -16.479 14.744 1.00 15.43 C ATOM 819 ND1 HIS A 60 -9.090 -17.838 14.567 1.00 45.45 N ATOM 820 CD2 HIS A 60 -10.213 -16.269 15.545 1.00 12.41 C ATOM 821 CE1 HIS A 60 -10.079 -18.399 15.264 1.00 31.34 C ATOM 822 NE2 HIS A 60 -10.794 -17.488 15.878 1.00 71.24 N ATOM 0 H HIS A 60 -7.691 -16.868 12.177 1.00 52.20 H new ATOM 0 HA HIS A 60 -9.715 -15.025 12.659 1.00 32.24 H new ATOM 0 HB2 HIS A 60 -7.239 -15.891 14.133 1.00 44.30 H new ATOM 0 HB3 HIS A 60 -8.232 -14.591 14.760 1.00 44.30 H new ATOM 0 HD1 HIS A 60 -8.398 -18.331 14.003 1.00 45.45 H new ATOM 0 HD2 HIS A 60 -10.555 -15.302 15.883 1.00 12.41 H new ATOM 0 HE1 HIS A 60 -10.266 -19.461 15.316 1.00 31.34 H new ATOM 830 N TRP A 61 -6.738 -13.727 12.143 1.00 72.21 N ATOM 831 CA TRP A 61 -6.023 -12.524 11.774 1.00 44.43 C ATOM 832 C TRP A 61 -6.585 -11.950 10.463 1.00 3.40 C ATOM 833 O TRP A 61 -6.916 -10.770 10.404 1.00 14.12 O ATOM 834 CB TRP A 61 -4.517 -12.827 11.671 1.00 4.24 C ATOM 835 CG TRP A 61 -3.653 -11.667 11.267 1.00 31.34 C ATOM 836 CD1 TRP A 61 -3.260 -10.616 12.047 1.00 4.15 C ATOM 837 CD2 TRP A 61 -3.046 -11.465 9.987 1.00 53.11 C ATOM 838 NE1 TRP A 61 -2.456 -9.768 11.322 1.00 35.03 N ATOM 839 CE2 TRP A 61 -2.311 -10.269 10.055 1.00 73.31 C ATOM 840 CE3 TRP A 61 -3.059 -12.179 8.787 1.00 65.33 C ATOM 841 CZ2 TRP A 61 -1.593 -9.775 8.972 1.00 54.23 C ATOM 842 CZ3 TRP A 61 -2.346 -11.685 7.717 1.00 74.32 C ATOM 843 CH2 TRP A 61 -1.624 -10.497 7.817 1.00 23.44 C ATOM 0 H TRP A 61 -6.146 -14.555 12.206 1.00 72.21 H new ATOM 0 HA TRP A 61 -6.160 -11.765 12.544 1.00 44.43 H new ATOM 0 HB2 TRP A 61 -4.171 -13.197 12.636 1.00 4.24 H new ATOM 0 HB3 TRP A 61 -4.374 -13.633 10.951 1.00 4.24 H new ATOM 0 HD1 TRP A 61 -3.540 -10.473 13.080 1.00 4.15 H new ATOM 0 HE1 TRP A 61 -2.036 -8.906 11.671 1.00 35.03 H new ATOM 0 HE3 TRP A 61 -3.617 -13.100 8.700 1.00 65.33 H new ATOM 0 HZ2 TRP A 61 -1.032 -8.855 9.043 1.00 54.23 H new ATOM 0 HZ3 TRP A 61 -2.346 -12.228 6.784 1.00 74.32 H new ATOM 0 HH2 TRP A 61 -1.076 -10.140 6.958 1.00 23.44 H new ATOM 854 N PHE A 62 -6.742 -12.813 9.454 1.00 23.03 N ATOM 855 CA PHE A 62 -7.300 -12.421 8.158 1.00 2.22 C ATOM 856 C PHE A 62 -8.692 -11.803 8.289 1.00 10.02 C ATOM 857 O PHE A 62 -8.931 -10.695 7.825 1.00 51.45 O ATOM 858 CB PHE A 62 -7.348 -13.602 7.163 1.00 71.14 C ATOM 859 CG PHE A 62 -6.015 -14.027 6.605 1.00 51.25 C ATOM 860 CD1 PHE A 62 -5.321 -13.194 5.751 1.00 2.23 C ATOM 861 CD2 PHE A 62 -5.465 -15.255 6.921 1.00 21.22 C ATOM 862 CE1 PHE A 62 -4.105 -13.578 5.228 1.00 65.31 C ATOM 863 CE2 PHE A 62 -4.250 -15.645 6.398 1.00 64.33 C ATOM 864 CZ PHE A 62 -3.570 -14.803 5.551 1.00 11.40 C ATOM 0 H PHE A 62 -6.487 -13.799 9.513 1.00 23.03 H new ATOM 0 HA PHE A 62 -6.623 -11.663 7.764 1.00 2.22 H new ATOM 0 HB2 PHE A 62 -7.804 -14.457 7.661 1.00 71.14 H new ATOM 0 HB3 PHE A 62 -8.001 -13.331 6.333 1.00 71.14 H new ATOM 0 HD1 PHE A 62 -5.735 -12.231 5.490 1.00 2.23 H new ATOM 0 HD2 PHE A 62 -5.995 -15.919 7.588 1.00 21.22 H new ATOM 0 HE1 PHE A 62 -3.571 -12.915 4.563 1.00 65.31 H new ATOM 0 HE2 PHE A 62 -3.834 -16.609 6.653 1.00 64.33 H new ATOM 0 HZ PHE A 62 -2.617 -15.103 5.140 1.00 11.40 H new ATOM 874 N ARG A 63 -9.609 -12.501 8.930 1.00 44.32 N ATOM 875 CA ARG A 63 -10.969 -11.997 9.073 1.00 34.13 C ATOM 876 C ARG A 63 -11.063 -10.793 9.968 1.00 4.51 C ATOM 877 O ARG A 63 -11.926 -9.948 9.795 1.00 70.22 O ATOM 878 CB ARG A 63 -11.925 -13.060 9.505 1.00 64.50 C ATOM 879 CG ARG A 63 -12.217 -14.025 8.400 1.00 24.42 C ATOM 880 CD ARG A 63 -13.485 -14.735 8.683 1.00 33.20 C ATOM 881 NE ARG A 63 -13.911 -15.574 7.561 1.00 43.10 N ATOM 882 CZ ARG A 63 -15.086 -16.197 7.469 1.00 13.40 C ATOM 883 NH1 ARG A 63 -15.930 -16.208 8.510 1.00 42.11 N ATOM 884 NH2 ARG A 63 -15.406 -16.822 6.337 1.00 40.21 N ATOM 0 H ARG A 63 -9.444 -13.412 9.358 1.00 44.32 H new ATOM 0 HA ARG A 63 -11.262 -11.671 8.075 1.00 34.13 H new ATOM 0 HB2 ARG A 63 -11.510 -13.598 10.357 1.00 64.50 H new ATOM 0 HB3 ARG A 63 -12.854 -12.599 9.840 1.00 64.50 H new ATOM 0 HG2 ARG A 63 -12.289 -13.495 7.450 1.00 24.42 H new ATOM 0 HG3 ARG A 63 -11.401 -14.741 8.304 1.00 24.42 H new ATOM 0 HD2 ARG A 63 -13.362 -15.354 9.572 1.00 33.20 H new ATOM 0 HD3 ARG A 63 -14.265 -14.007 8.907 1.00 33.20 H new ATOM 0 HE ARG A 63 -13.256 -15.691 6.788 1.00 43.10 H new ATOM 0 HH11 ARG A 63 -15.675 -15.738 9.379 1.00 42.11 H new ATOM 0 HH12 ARG A 63 -16.828 -16.686 8.434 1.00 42.11 H new ATOM 0 HH21 ARG A 63 -14.755 -16.821 5.552 1.00 40.21 H new ATOM 0 HH22 ARG A 63 -16.302 -17.302 6.255 1.00 40.21 H new ATOM 898 N LYS A 64 -10.139 -10.686 10.878 1.00 74.14 N ATOM 899 CA LYS A 64 -10.061 -9.561 11.782 1.00 73.22 C ATOM 900 C LYS A 64 -9.399 -8.359 11.054 1.00 52.30 C ATOM 901 O LYS A 64 -9.217 -7.279 11.628 1.00 12.24 O ATOM 902 CB LYS A 64 -9.229 -9.972 12.968 1.00 40.23 C ATOM 903 CG LYS A 64 -9.168 -8.988 14.103 1.00 32.35 C ATOM 904 CD LYS A 64 -7.926 -9.224 14.924 1.00 43.54 C ATOM 905 CE LYS A 64 -6.662 -9.037 14.048 1.00 51.25 C ATOM 906 NZ LYS A 64 -6.724 -7.786 13.211 1.00 31.34 N ATOM 0 H LYS A 64 -9.407 -11.382 11.020 1.00 74.14 H new ATOM 0 HA LYS A 64 -11.056 -9.262 12.112 1.00 73.22 H new ATOM 0 HB2 LYS A 64 -9.619 -10.915 13.351 1.00 40.23 H new ATOM 0 HB3 LYS A 64 -8.212 -10.164 12.625 1.00 40.23 H new ATOM 0 HG2 LYS A 64 -9.168 -7.970 13.713 1.00 32.35 H new ATOM 0 HG3 LYS A 64 -10.053 -9.089 14.731 1.00 32.35 H new ATOM 0 HD2 LYS A 64 -7.900 -8.531 15.765 1.00 43.54 H new ATOM 0 HD3 LYS A 64 -7.943 -10.231 15.341 1.00 43.54 H new ATOM 0 HE2 LYS A 64 -5.781 -8.999 14.689 1.00 51.25 H new ATOM 0 HE3 LYS A 64 -6.544 -9.902 13.396 1.00 51.25 H new ATOM 0 HZ1 LYS A 64 -6.770 -8.044 12.204 1.00 31.34 H new ATOM 0 HZ2 LYS A 64 -7.570 -7.239 13.467 1.00 31.34 H new ATOM 0 HZ3 LYS A 64 -5.875 -7.211 13.383 1.00 31.34 H new ATOM 920 N ASN A 65 -8.947 -8.604 9.841 1.00 32.43 N ATOM 921 CA ASN A 65 -8.438 -7.565 8.943 1.00 32.52 C ATOM 922 C ASN A 65 -9.449 -7.363 7.820 1.00 13.20 C ATOM 923 O ASN A 65 -9.210 -6.649 6.855 1.00 61.32 O ATOM 924 CB ASN A 65 -7.037 -7.916 8.366 1.00 4.34 C ATOM 925 CG ASN A 65 -5.871 -7.715 9.351 1.00 53.42 C ATOM 926 OD1 ASN A 65 -6.024 -7.818 10.593 1.00 65.03 O ATOM 927 ND2 ASN A 65 -4.703 -7.423 8.830 1.00 33.22 N ATOM 0 H ASN A 65 -8.919 -9.540 9.438 1.00 32.43 H new ATOM 0 HA ASN A 65 -8.312 -6.643 9.511 1.00 32.52 H new ATOM 0 HB2 ASN A 65 -7.043 -8.955 8.038 1.00 4.34 H new ATOM 0 HB3 ASN A 65 -6.859 -7.304 7.482 1.00 4.34 H new ATOM 0 HD21 ASN A 65 -3.897 -7.275 9.437 1.00 33.22 H new ATOM 0 HD22 ASN A 65 -4.601 -7.344 7.818 1.00 33.22 H new ATOM 934 N GLY A 66 -10.599 -8.015 7.970 1.00 1.15 N ATOM 935 CA GLY A 66 -11.683 -7.871 7.032 1.00 10.50 C ATOM 936 C GLY A 66 -11.566 -8.758 5.805 1.00 65.04 C ATOM 937 O GLY A 66 -12.124 -8.438 4.758 1.00 51.23 O ATOM 0 H GLY A 66 -10.794 -8.651 8.743 1.00 1.15 H new ATOM 0 HA2 GLY A 66 -12.621 -8.095 7.540 1.00 10.50 H new ATOM 0 HA3 GLY A 66 -11.735 -6.831 6.711 1.00 10.50 H new ATOM 941 N TYR A 67 -10.845 -9.853 5.900 1.00 42.20 N ATOM 942 CA TYR A 67 -10.714 -10.758 4.766 1.00 73.32 C ATOM 943 C TYR A 67 -11.940 -11.576 4.462 1.00 72.04 C ATOM 944 O TYR A 67 -12.489 -12.276 5.312 1.00 11.43 O ATOM 945 CB TYR A 67 -9.475 -11.615 4.825 1.00 13.41 C ATOM 946 CG TYR A 67 -8.305 -10.937 4.205 1.00 35.13 C ATOM 947 CD1 TYR A 67 -7.501 -10.076 4.928 1.00 12.30 C ATOM 948 CD2 TYR A 67 -8.021 -11.141 2.869 1.00 14.31 C ATOM 949 CE1 TYR A 67 -6.447 -9.439 4.329 1.00 4.23 C ATOM 950 CE2 TYR A 67 -6.971 -10.514 2.267 1.00 20.01 C ATOM 951 CZ TYR A 67 -6.192 -9.661 2.998 1.00 2.30 C ATOM 952 OH TYR A 67 -5.155 -9.046 2.400 1.00 53.44 O ATOM 0 H TYR A 67 -10.343 -10.142 6.739 1.00 42.20 H new ATOM 0 HA TYR A 67 -10.600 -10.082 3.918 1.00 73.32 H new ATOM 0 HB2 TYR A 67 -9.248 -11.855 5.864 1.00 13.41 H new ATOM 0 HB3 TYR A 67 -9.661 -12.559 4.313 1.00 13.41 H new ATOM 0 HD1 TYR A 67 -7.706 -9.904 5.974 1.00 12.30 H new ATOM 0 HD2 TYR A 67 -8.642 -11.809 2.291 1.00 14.31 H new ATOM 0 HE1 TYR A 67 -5.822 -8.768 4.899 1.00 4.23 H new ATOM 0 HE2 TYR A 67 -6.757 -10.689 1.223 1.00 20.01 H new ATOM 0 HH TYR A 67 -4.744 -8.414 3.026 1.00 53.44 H new ATOM 962 N ARG A 68 -12.326 -11.508 3.210 1.00 13.42 N ATOM 963 CA ARG A 68 -13.499 -12.171 2.687 1.00 21.32 C ATOM 964 C ARG A 68 -13.164 -13.583 2.205 1.00 14.01 C ATOM 965 O ARG A 68 -13.368 -13.925 1.038 1.00 15.44 O ATOM 966 CB ARG A 68 -14.064 -11.350 1.537 1.00 20.25 C ATOM 967 CG ARG A 68 -14.630 -10.003 1.928 1.00 3.15 C ATOM 968 CD ARG A 68 -13.854 -8.844 1.288 1.00 65.42 C ATOM 969 NE ARG A 68 -12.672 -8.431 2.090 1.00 1.52 N ATOM 970 CZ ARG A 68 -11.587 -7.747 1.643 1.00 4.01 C ATOM 971 NH1 ARG A 68 -11.379 -7.567 0.344 1.00 0.11 N ATOM 972 NH2 ARG A 68 -10.707 -7.274 2.529 1.00 12.12 N ATOM 0 H ARG A 68 -11.818 -10.974 2.505 1.00 13.42 H new ATOM 0 HA ARG A 68 -14.239 -12.255 3.483 1.00 21.32 H new ATOM 0 HB2 ARG A 68 -13.276 -11.196 0.800 1.00 20.25 H new ATOM 0 HB3 ARG A 68 -14.848 -11.929 1.049 1.00 20.25 H new ATOM 0 HG2 ARG A 68 -15.676 -9.948 1.627 1.00 3.15 H new ATOM 0 HG3 ARG A 68 -14.605 -9.901 3.013 1.00 3.15 H new ATOM 0 HD2 ARG A 68 -13.526 -9.139 0.291 1.00 65.42 H new ATOM 0 HD3 ARG A 68 -14.520 -7.990 1.165 1.00 65.42 H new ATOM 0 HE ARG A 68 -12.676 -8.688 3.077 1.00 1.52 H new ATOM 0 HH11 ARG A 68 -12.039 -7.945 -0.335 1.00 0.11 H new ATOM 0 HH12 ARG A 68 -10.559 -7.051 0.026 1.00 0.11 H new ATOM 0 HH21 ARG A 68 -10.854 -7.428 3.526 1.00 12.12 H new ATOM 0 HH22 ARG A 68 -9.887 -6.758 2.208 1.00 12.12 H new ATOM 986 N LEU A 69 -12.657 -14.376 3.097 1.00 72.22 N ATOM 987 CA LEU A 69 -12.280 -15.755 2.793 1.00 74.33 C ATOM 988 C LEU A 69 -12.520 -16.672 3.984 1.00 24.21 C ATOM 989 O LEU A 69 -12.723 -16.190 5.119 1.00 64.20 O ATOM 990 CB LEU A 69 -10.838 -15.848 2.195 1.00 40.22 C ATOM 991 CG LEU A 69 -9.668 -15.176 2.939 1.00 21.33 C ATOM 992 CD1 LEU A 69 -9.193 -16.004 4.100 1.00 2.22 C ATOM 993 CD2 LEU A 69 -8.516 -14.905 1.988 1.00 30.32 C ATOM 0 H LEU A 69 -12.485 -14.101 4.064 1.00 72.22 H new ATOM 0 HA LEU A 69 -12.937 -16.120 2.004 1.00 74.33 H new ATOM 0 HB2 LEU A 69 -10.595 -16.905 2.089 1.00 40.22 H new ATOM 0 HB3 LEU A 69 -10.872 -15.427 1.190 1.00 40.22 H new ATOM 0 HG LEU A 69 -10.037 -14.229 3.333 1.00 21.33 H new ATOM 0 HD11 LEU A 69 -8.368 -15.494 4.597 1.00 2.22 H new ATOM 0 HD12 LEU A 69 -10.011 -16.143 4.806 1.00 2.22 H new ATOM 0 HD13 LEU A 69 -8.855 -16.976 3.740 1.00 2.22 H new ATOM 0 HD21 LEU A 69 -7.699 -14.430 2.532 1.00 30.32 H new ATOM 0 HD22 LEU A 69 -8.169 -15.845 1.560 1.00 30.32 H new ATOM 0 HD23 LEU A 69 -8.852 -14.245 1.189 1.00 30.32 H new ATOM 1005 N THR A 70 -12.575 -17.957 3.742 1.00 72.13 N ATOM 1006 CA THR A 70 -12.854 -18.916 4.777 1.00 63.23 C ATOM 1007 C THR A 70 -11.590 -19.658 5.217 1.00 22.45 C ATOM 1008 O THR A 70 -10.578 -19.662 4.522 1.00 61.12 O ATOM 1009 CB THR A 70 -13.926 -19.948 4.332 1.00 71.00 C ATOM 1010 OG1 THR A 70 -13.455 -20.699 3.226 1.00 2.35 O ATOM 1011 CG2 THR A 70 -15.232 -19.262 3.954 1.00 60.30 C ATOM 0 H THR A 70 -12.427 -18.367 2.820 1.00 72.13 H new ATOM 0 HA THR A 70 -13.242 -18.348 5.623 1.00 63.23 H new ATOM 0 HB THR A 70 -14.113 -20.613 5.175 1.00 71.00 H new ATOM 0 HG1 THR A 70 -13.415 -20.124 2.433 1.00 2.35 H new ATOM 0 HG21 THR A 70 -15.961 -20.012 3.647 1.00 60.30 H new ATOM 0 HG22 THR A 70 -15.616 -18.712 4.813 1.00 60.30 H new ATOM 0 HG23 THR A 70 -15.055 -18.570 3.131 1.00 60.30 H new ATOM 1019 N LEU A 71 -11.687 -20.298 6.372 1.00 1.55 N ATOM 1020 CA LEU A 71 -10.596 -21.056 6.983 1.00 33.43 C ATOM 1021 C LEU A 71 -10.144 -22.210 6.113 1.00 0.43 C ATOM 1022 O LEU A 71 -8.960 -22.470 5.964 1.00 41.43 O ATOM 1023 CB LEU A 71 -11.078 -21.612 8.343 1.00 54.50 C ATOM 1024 CG LEU A 71 -10.114 -22.545 9.082 1.00 55.44 C ATOM 1025 CD1 LEU A 71 -8.838 -21.835 9.438 1.00 30.35 C ATOM 1026 CD2 LEU A 71 -10.755 -23.140 10.321 1.00 51.24 C ATOM 0 H LEU A 71 -12.543 -20.308 6.926 1.00 1.55 H new ATOM 0 HA LEU A 71 -9.748 -20.382 7.109 1.00 33.43 H new ATOM 0 HB2 LEU A 71 -11.303 -20.768 8.996 1.00 54.50 H new ATOM 0 HB3 LEU A 71 -12.013 -22.148 8.180 1.00 54.50 H new ATOM 0 HG LEU A 71 -9.873 -23.363 8.404 1.00 55.44 H new ATOM 0 HD11 LEU A 71 -8.173 -22.522 9.962 1.00 30.35 H new ATOM 0 HD12 LEU A 71 -8.352 -21.482 8.528 1.00 30.35 H new ATOM 0 HD13 LEU A 71 -9.062 -20.985 10.083 1.00 30.35 H new ATOM 0 HD21 LEU A 71 -10.042 -23.797 10.820 1.00 51.24 H new ATOM 0 HD22 LEU A 71 -11.047 -22.339 11.000 1.00 51.24 H new ATOM 0 HD23 LEU A 71 -11.637 -23.713 10.035 1.00 51.24 H new ATOM 1038 N ARG A 72 -11.086 -22.867 5.524 1.00 51.33 N ATOM 1039 CA ARG A 72 -10.809 -24.099 4.857 1.00 44.43 C ATOM 1040 C ARG A 72 -10.259 -23.959 3.471 1.00 65.32 C ATOM 1041 O ARG A 72 -9.719 -24.912 2.932 1.00 35.43 O ATOM 1042 CB ARG A 72 -11.938 -25.083 5.035 1.00 30.32 C ATOM 1043 CG ARG A 72 -12.070 -25.400 6.533 1.00 71.05 C ATOM 1044 CD ARG A 72 -13.240 -26.273 6.935 1.00 22.43 C ATOM 1045 NE ARG A 72 -13.270 -26.389 8.423 1.00 61.23 N ATOM 1046 CZ ARG A 72 -14.364 -26.563 9.191 1.00 65.53 C ATOM 1047 NH1 ARG A 72 -15.554 -26.788 8.625 1.00 10.30 N ATOM 1048 NH2 ARG A 72 -14.257 -26.519 10.533 1.00 61.45 N ATOM 0 H ARG A 72 -12.061 -22.571 5.490 1.00 51.33 H new ATOM 0 HA ARG A 72 -9.955 -24.550 5.362 1.00 44.43 H new ATOM 0 HB2 ARG A 72 -12.869 -24.666 4.652 1.00 30.32 H new ATOM 0 HB3 ARG A 72 -11.740 -25.994 4.470 1.00 30.32 H new ATOM 0 HG2 ARG A 72 -11.152 -25.887 6.862 1.00 71.05 H new ATOM 0 HG3 ARG A 72 -12.144 -24.458 7.077 1.00 71.05 H new ATOM 0 HD2 ARG A 72 -14.173 -25.843 6.572 1.00 22.43 H new ATOM 0 HD3 ARG A 72 -13.147 -27.260 6.482 1.00 22.43 H new ATOM 0 HE ARG A 72 -12.374 -26.331 8.907 1.00 61.23 H new ATOM 0 HH11 ARG A 72 -15.636 -26.828 7.609 1.00 10.30 H new ATOM 0 HH12 ARG A 72 -16.380 -26.919 9.209 1.00 10.30 H new ATOM 0 HH21 ARG A 72 -13.349 -26.354 10.967 1.00 61.45 H new ATOM 0 HH22 ARG A 72 -15.084 -26.651 11.115 1.00 61.45 H new ATOM 1062 N GLU A 73 -10.372 -22.775 2.904 1.00 13.03 N ATOM 1063 CA GLU A 73 -9.741 -22.509 1.628 1.00 23.23 C ATOM 1064 C GLU A 73 -8.213 -22.589 1.806 1.00 21.40 C ATOM 1065 O GLU A 73 -7.502 -23.188 0.995 1.00 33.02 O ATOM 1066 CB GLU A 73 -10.159 -21.145 1.081 1.00 2.30 C ATOM 1067 CG GLU A 73 -11.623 -21.068 0.688 1.00 40.23 C ATOM 1068 CD GLU A 73 -12.072 -19.660 0.394 1.00 74.25 C ATOM 1069 OE1 GLU A 73 -11.895 -19.187 -0.739 1.00 2.03 O ATOM 1070 OE2 GLU A 73 -12.602 -18.999 1.316 1.00 63.45 O ATOM 0 H GLU A 73 -10.889 -21.990 3.301 1.00 13.03 H new ATOM 0 HA GLU A 73 -10.062 -23.256 0.902 1.00 23.23 H new ATOM 0 HB2 GLU A 73 -9.953 -20.383 1.833 1.00 2.30 H new ATOM 0 HB3 GLU A 73 -9.546 -20.909 0.212 1.00 2.30 H new ATOM 0 HG2 GLU A 73 -11.792 -21.690 -0.191 1.00 40.23 H new ATOM 0 HG3 GLU A 73 -12.233 -21.479 1.492 1.00 40.23 H new ATOM 1077 N LEU A 74 -7.730 -22.008 2.911 1.00 10.42 N ATOM 1078 CA LEU A 74 -6.338 -22.072 3.308 1.00 34.15 C ATOM 1079 C LEU A 74 -5.882 -23.502 3.535 1.00 23.12 C ATOM 1080 O LEU A 74 -4.723 -23.806 3.361 1.00 53.24 O ATOM 1081 CB LEU A 74 -6.093 -21.271 4.593 1.00 70.40 C ATOM 1082 CG LEU A 74 -6.054 -19.743 4.481 1.00 61.53 C ATOM 1083 CD1 LEU A 74 -7.332 -19.175 4.022 1.00 25.41 C ATOM 1084 CD2 LEU A 74 -5.615 -19.089 5.771 1.00 45.11 C ATOM 0 H LEU A 74 -8.312 -21.475 3.557 1.00 10.42 H new ATOM 0 HA LEU A 74 -5.763 -21.641 2.489 1.00 34.15 H new ATOM 0 HB2 LEU A 74 -6.873 -21.536 5.307 1.00 70.40 H new ATOM 0 HB3 LEU A 74 -5.145 -21.601 5.019 1.00 70.40 H new ATOM 0 HG LEU A 74 -5.306 -19.522 3.719 1.00 61.53 H new ATOM 0 HD11 LEU A 74 -7.247 -18.090 3.961 1.00 25.41 H new ATOM 0 HD12 LEU A 74 -7.576 -19.576 3.038 1.00 25.41 H new ATOM 0 HD13 LEU A 74 -8.121 -19.438 4.727 1.00 25.41 H new ATOM 0 HD21 LEU A 74 -5.602 -18.006 5.644 1.00 45.11 H new ATOM 0 HD22 LEU A 74 -6.310 -19.353 6.568 1.00 45.11 H new ATOM 0 HD23 LEU A 74 -4.615 -19.435 6.033 1.00 45.11 H new ATOM 1096 N TYR A 75 -6.800 -24.365 3.929 1.00 72.02 N ATOM 1097 CA TYR A 75 -6.476 -25.765 4.177 1.00 54.24 C ATOM 1098 C TYR A 75 -6.429 -26.579 2.926 1.00 14.22 C ATOM 1099 O TYR A 75 -5.854 -27.661 2.907 1.00 40.34 O ATOM 1100 CB TYR A 75 -7.404 -26.402 5.213 1.00 43.02 C ATOM 1101 CG TYR A 75 -7.071 -25.994 6.568 1.00 20.22 C ATOM 1102 CD1 TYR A 75 -5.812 -26.218 7.052 1.00 34.33 C ATOM 1103 CD2 TYR A 75 -7.991 -25.371 7.360 1.00 15.15 C ATOM 1104 CE1 TYR A 75 -5.468 -25.814 8.303 1.00 71.12 C ATOM 1105 CE2 TYR A 75 -7.664 -24.972 8.616 1.00 30.22 C ATOM 1106 CZ TYR A 75 -6.403 -25.187 9.079 1.00 23.21 C ATOM 1107 OH TYR A 75 -6.068 -24.749 10.300 1.00 11.21 O ATOM 0 H TYR A 75 -7.779 -24.124 4.085 1.00 72.02 H new ATOM 0 HA TYR A 75 -5.469 -25.763 4.595 1.00 54.24 H new ATOM 0 HB2 TYR A 75 -8.435 -26.125 4.994 1.00 43.02 H new ATOM 0 HB3 TYR A 75 -7.342 -27.488 5.136 1.00 43.02 H new ATOM 0 HD1 TYR A 75 -5.083 -26.721 6.434 1.00 34.33 H new ATOM 0 HD2 TYR A 75 -8.988 -25.194 6.985 1.00 15.15 H new ATOM 0 HE1 TYR A 75 -4.470 -25.986 8.679 1.00 71.12 H new ATOM 0 HE2 TYR A 75 -8.399 -24.488 9.242 1.00 30.22 H new ATOM 0 HH TYR A 75 -6.201 -23.779 10.348 1.00 11.21 H new ATOM 1117 N ALA A 76 -7.019 -26.069 1.883 1.00 30.24 N ATOM 1118 CA ALA A 76 -7.017 -26.774 0.640 1.00 24.33 C ATOM 1119 C ALA A 76 -5.689 -26.556 -0.076 1.00 70.24 C ATOM 1120 O ALA A 76 -5.211 -27.417 -0.811 1.00 50.34 O ATOM 1121 CB ALA A 76 -8.196 -26.355 -0.218 1.00 24.51 C ATOM 0 H ALA A 76 -7.504 -25.172 1.871 1.00 30.24 H new ATOM 0 HA ALA A 76 -7.125 -27.841 0.833 1.00 24.33 H new ATOM 0 HB1 ALA A 76 -8.174 -26.904 -1.159 1.00 24.51 H new ATOM 0 HB2 ALA A 76 -9.125 -26.574 0.308 1.00 24.51 H new ATOM 0 HB3 ALA A 76 -8.137 -25.286 -0.421 1.00 24.51 H new ATOM 1127 N ALA A 77 -5.097 -25.402 0.160 1.00 52.20 N ATOM 1128 CA ALA A 77 -3.809 -25.073 -0.396 1.00 53.40 C ATOM 1129 C ALA A 77 -3.038 -24.173 0.567 1.00 70.53 C ATOM 1130 O ALA A 77 -3.064 -22.942 0.438 1.00 72.11 O ATOM 1131 CB ALA A 77 -3.951 -24.408 -1.765 1.00 51.12 C ATOM 0 H ALA A 77 -5.500 -24.669 0.744 1.00 52.20 H new ATOM 0 HA ALA A 77 -3.249 -25.998 -0.536 1.00 53.40 H new ATOM 0 HB1 ALA A 77 -2.963 -24.172 -2.159 1.00 51.12 H new ATOM 0 HB2 ALA A 77 -4.461 -25.087 -2.448 1.00 51.12 H new ATOM 0 HB3 ALA A 77 -4.531 -23.490 -1.665 1.00 51.12 H new ATOM 1137 N PRO A 78 -2.385 -24.748 1.587 1.00 14.22 N ATOM 1138 CA PRO A 78 -1.653 -23.968 2.553 1.00 42.03 C ATOM 1139 C PRO A 78 -0.250 -23.666 2.071 1.00 52.32 C ATOM 1140 O PRO A 78 0.700 -24.399 2.354 1.00 61.52 O ATOM 1141 CB PRO A 78 -1.621 -24.861 3.809 1.00 52.23 C ATOM 1142 CG PRO A 78 -2.207 -26.188 3.392 1.00 24.13 C ATOM 1143 CD PRO A 78 -2.322 -26.174 1.891 1.00 52.34 C ATOM 0 HA PRO A 78 -2.116 -22.998 2.736 1.00 42.03 H new ATOM 0 HB2 PRO A 78 -0.602 -24.983 4.175 1.00 52.23 H new ATOM 0 HB3 PRO A 78 -2.200 -24.416 4.619 1.00 52.23 H new ATOM 0 HG2 PRO A 78 -1.571 -27.010 3.721 1.00 24.13 H new ATOM 0 HG3 PRO A 78 -3.184 -26.338 3.851 1.00 24.13 H new ATOM 0 HD2 PRO A 78 -1.466 -26.652 1.415 1.00 52.34 H new ATOM 0 HD3 PRO A 78 -3.213 -26.701 1.548 1.00 52.34 H new ATOM 1151 N THR A 79 -0.137 -22.598 1.337 1.00 62.01 N ATOM 1152 CA THR A 79 1.103 -22.140 0.774 1.00 0.43 C ATOM 1153 C THR A 79 1.018 -20.639 0.741 1.00 13.24 C ATOM 1154 O THR A 79 -0.089 -20.099 0.627 1.00 51.51 O ATOM 1155 CB THR A 79 1.298 -22.660 -0.688 1.00 2.12 C ATOM 1156 OG1 THR A 79 0.176 -22.271 -1.494 1.00 63.12 O ATOM 1157 CG2 THR A 79 1.445 -24.174 -0.745 1.00 24.22 C ATOM 0 H THR A 79 -0.931 -22.001 1.105 1.00 62.01 H new ATOM 0 HA THR A 79 1.940 -22.505 1.369 1.00 0.43 H new ATOM 0 HB THR A 79 2.218 -22.216 -1.069 1.00 2.12 H new ATOM 0 HG1 THR A 79 0.302 -22.597 -2.410 1.00 63.12 H new ATOM 0 HG21 THR A 79 1.578 -24.488 -1.780 1.00 24.22 H new ATOM 0 HG22 THR A 79 2.313 -24.478 -0.159 1.00 24.22 H new ATOM 0 HG23 THR A 79 0.550 -24.642 -0.336 1.00 24.22 H new ATOM 1165 N LEU A 80 2.127 -19.960 0.819 1.00 45.14 N ATOM 1166 CA LEU A 80 2.093 -18.519 0.825 1.00 21.22 C ATOM 1167 C LEU A 80 1.709 -17.977 -0.559 1.00 61.43 C ATOM 1168 O LEU A 80 1.104 -16.915 -0.672 1.00 70.10 O ATOM 1169 CB LEU A 80 3.416 -17.939 1.329 1.00 23.43 C ATOM 1170 CG LEU A 80 3.299 -17.025 2.559 1.00 2.04 C ATOM 1171 CD1 LEU A 80 2.431 -15.860 2.271 1.00 73.10 C ATOM 1172 CD2 LEU A 80 2.756 -17.771 3.731 1.00 14.45 C ATOM 0 H LEU A 80 3.058 -20.372 0.879 1.00 45.14 H new ATOM 0 HA LEU A 80 1.321 -18.195 1.523 1.00 21.22 H new ATOM 0 HB2 LEU A 80 4.088 -18.763 1.570 1.00 23.43 H new ATOM 0 HB3 LEU A 80 3.880 -17.376 0.519 1.00 23.43 H new ATOM 0 HG LEU A 80 4.302 -16.671 2.799 1.00 2.04 H new ATOM 0 HD11 LEU A 80 2.364 -15.228 3.157 1.00 73.10 H new ATOM 0 HD12 LEU A 80 2.854 -15.286 1.447 1.00 73.10 H new ATOM 0 HD13 LEU A 80 1.435 -16.207 1.997 1.00 73.10 H new ATOM 0 HD21 LEU A 80 2.684 -17.101 4.587 1.00 14.45 H new ATOM 0 HD22 LEU A 80 1.766 -18.158 3.489 1.00 14.45 H new ATOM 0 HD23 LEU A 80 3.421 -18.600 3.974 1.00 14.45 H new ATOM 1184 N ALA A 81 2.030 -18.749 -1.590 1.00 21.41 N ATOM 1185 CA ALA A 81 1.694 -18.417 -2.968 1.00 74.24 C ATOM 1186 C ALA A 81 0.187 -18.359 -3.155 1.00 75.31 C ATOM 1187 O ALA A 81 -0.352 -17.348 -3.626 1.00 31.52 O ATOM 1188 CB ALA A 81 2.290 -19.447 -3.927 1.00 54.40 C ATOM 0 H ALA A 81 2.535 -19.630 -1.492 1.00 21.41 H new ATOM 0 HA ALA A 81 2.115 -17.436 -3.190 1.00 74.24 H new ATOM 0 HB1 ALA A 81 2.029 -19.183 -4.952 1.00 54.40 H new ATOM 0 HB2 ALA A 81 3.375 -19.459 -3.820 1.00 54.40 H new ATOM 0 HB3 ALA A 81 1.892 -20.434 -3.694 1.00 54.40 H new ATOM 1194 N ALA A 82 -0.494 -19.435 -2.759 1.00 74.32 N ATOM 1195 CA ALA A 82 -1.932 -19.514 -2.922 1.00 35.14 C ATOM 1196 C ALA A 82 -2.633 -18.533 -2.024 1.00 50.52 C ATOM 1197 O ALA A 82 -3.603 -17.929 -2.429 1.00 1.23 O ATOM 1198 CB ALA A 82 -2.452 -20.916 -2.686 1.00 24.30 C ATOM 0 H ALA A 82 -0.069 -20.255 -2.326 1.00 74.32 H new ATOM 0 HA ALA A 82 -2.150 -19.252 -3.957 1.00 35.14 H new ATOM 0 HB1 ALA A 82 -3.534 -20.930 -2.818 1.00 24.30 H new ATOM 0 HB2 ALA A 82 -1.990 -21.600 -3.398 1.00 24.30 H new ATOM 0 HB3 ALA A 82 -2.207 -21.229 -1.671 1.00 24.30 H new ATOM 1204 N TRP A 83 -2.126 -18.357 -0.813 1.00 1.12 N ATOM 1205 CA TRP A 83 -2.721 -17.412 0.119 1.00 53.00 C ATOM 1206 C TRP A 83 -2.660 -16.014 -0.412 1.00 21.22 C ATOM 1207 O TRP A 83 -3.660 -15.350 -0.449 1.00 52.04 O ATOM 1208 CB TRP A 83 -2.083 -17.476 1.480 1.00 13.25 C ATOM 1209 CG TRP A 83 -2.419 -18.699 2.260 1.00 32.22 C ATOM 1210 CD1 TRP A 83 -3.056 -19.834 1.829 1.00 43.03 C ATOM 1211 CD2 TRP A 83 -2.158 -18.886 3.623 1.00 33.14 C ATOM 1212 NE1 TRP A 83 -3.146 -20.727 2.846 1.00 11.35 N ATOM 1213 CE2 TRP A 83 -2.616 -20.158 3.968 1.00 73.12 C ATOM 1214 CE3 TRP A 83 -1.568 -18.093 4.589 1.00 73.42 C ATOM 1215 CZ2 TRP A 83 -2.502 -20.652 5.236 1.00 23.24 C ATOM 1216 CZ3 TRP A 83 -1.463 -18.583 5.868 1.00 5.13 C ATOM 1217 CH2 TRP A 83 -1.931 -19.858 6.177 1.00 15.04 C ATOM 0 H TRP A 83 -1.310 -18.852 -0.455 1.00 1.12 H new ATOM 0 HA TRP A 83 -3.766 -17.701 0.228 1.00 53.00 H new ATOM 0 HB2 TRP A 83 -1.001 -17.420 1.363 1.00 13.25 H new ATOM 0 HB3 TRP A 83 -2.388 -16.600 2.052 1.00 13.25 H new ATOM 0 HD1 TRP A 83 -3.430 -19.993 0.829 1.00 43.03 H new ATOM 0 HE1 TRP A 83 -3.542 -21.665 2.783 1.00 11.35 H new ATOM 0 HE3 TRP A 83 -1.197 -17.109 4.343 1.00 73.42 H new ATOM 0 HZ2 TRP A 83 -2.855 -21.643 5.482 1.00 23.24 H new ATOM 0 HZ3 TRP A 83 -1.014 -17.975 6.640 1.00 5.13 H new ATOM 0 HH2 TRP A 83 -1.837 -20.223 7.189 1.00 15.04 H new ATOM 1228 N ASN A 84 -1.481 -15.593 -0.850 1.00 61.21 N ATOM 1229 CA ASN A 84 -1.278 -14.259 -1.460 1.00 14.23 C ATOM 1230 C ASN A 84 -2.298 -14.027 -2.596 1.00 60.03 C ATOM 1231 O ASN A 84 -2.898 -12.947 -2.714 1.00 63.23 O ATOM 1232 CB ASN A 84 0.184 -14.139 -1.961 1.00 52.25 C ATOM 1233 CG ASN A 84 0.535 -12.824 -2.655 1.00 11.31 C ATOM 1234 OD1 ASN A 84 -0.041 -11.777 -2.393 1.00 64.40 O ATOM 1235 ND2 ASN A 84 1.520 -12.873 -3.525 1.00 74.35 N ATOM 0 H ASN A 84 -0.632 -16.155 -0.799 1.00 61.21 H new ATOM 0 HA ASN A 84 -1.446 -13.482 -0.714 1.00 14.23 H new ATOM 0 HB2 ASN A 84 0.853 -14.271 -1.111 1.00 52.25 H new ATOM 0 HB3 ASN A 84 0.381 -14.958 -2.652 1.00 52.25 H new ATOM 0 HD21 ASN A 84 1.822 -12.023 -4.002 1.00 74.35 H new ATOM 0 HD22 ASN A 84 1.982 -13.761 -3.723 1.00 74.35 H new ATOM 1242 N GLN A 85 -2.537 -15.078 -3.375 1.00 63.14 N ATOM 1243 CA GLN A 85 -3.538 -15.070 -4.435 1.00 73.52 C ATOM 1244 C GLN A 85 -4.934 -14.914 -3.804 1.00 63.22 C ATOM 1245 O GLN A 85 -5.672 -13.986 -4.138 1.00 41.01 O ATOM 1246 CB GLN A 85 -3.398 -16.380 -5.268 1.00 22.42 C ATOM 1247 CG GLN A 85 -4.293 -16.551 -6.520 1.00 40.53 C ATOM 1248 CD GLN A 85 -5.743 -16.947 -6.235 1.00 25.21 C ATOM 1249 OE1 GLN A 85 -6.640 -16.002 -6.200 1.00 43.44 O flip ATOM 1250 NE2 GLN A 85 -6.053 -18.123 -6.116 1.00 71.13 N flip ATOM 0 H GLN A 85 -2.038 -15.964 -3.287 1.00 63.14 H new ATOM 0 HA GLN A 85 -3.391 -14.230 -5.114 1.00 73.52 H new ATOM 0 HB2 GLN A 85 -2.359 -16.462 -5.588 1.00 22.42 H new ATOM 0 HB3 GLN A 85 -3.593 -17.220 -4.602 1.00 22.42 H new ATOM 0 HG2 GLN A 85 -4.292 -15.615 -7.078 1.00 40.53 H new ATOM 0 HG3 GLN A 85 -3.847 -17.308 -7.165 1.00 40.53 H new ATOM 0 HE21 GLN A 85 -5.334 -18.846 -6.147 1.00 71.13 H new ATOM 0 HE22 GLN A 85 -7.031 -18.382 -5.986 1.00 71.13 H new ATOM 1259 N LEU A 86 -5.251 -15.778 -2.828 1.00 25.34 N ATOM 1260 CA LEU A 86 -6.548 -15.766 -2.139 1.00 21.42 C ATOM 1261 C LEU A 86 -6.814 -14.441 -1.449 1.00 33.44 C ATOM 1262 O LEU A 86 -7.939 -14.104 -1.224 1.00 43.23 O ATOM 1263 CB LEU A 86 -6.657 -16.868 -1.062 1.00 11.25 C ATOM 1264 CG LEU A 86 -6.427 -18.311 -1.508 1.00 55.14 C ATOM 1265 CD1 LEU A 86 -6.517 -19.226 -0.321 1.00 62.24 C ATOM 1266 CD2 LEU A 86 -7.433 -18.736 -2.563 1.00 43.41 C ATOM 0 H LEU A 86 -4.616 -16.503 -2.495 1.00 25.34 H new ATOM 0 HA LEU A 86 -7.282 -15.941 -2.926 1.00 21.42 H new ATOM 0 HB2 LEU A 86 -5.940 -16.641 -0.273 1.00 11.25 H new ATOM 0 HB3 LEU A 86 -7.650 -16.807 -0.617 1.00 11.25 H new ATOM 0 HG LEU A 86 -5.432 -18.374 -1.950 1.00 55.14 H new ATOM 0 HD11 LEU A 86 -6.353 -20.255 -0.641 1.00 62.24 H new ATOM 0 HD12 LEU A 86 -5.758 -18.948 0.411 1.00 62.24 H new ATOM 0 HD13 LEU A 86 -7.505 -19.140 0.130 1.00 62.24 H new ATOM 0 HD21 LEU A 86 -7.239 -19.768 -2.856 1.00 43.41 H new ATOM 0 HD22 LEU A 86 -8.441 -18.658 -2.157 1.00 43.41 H new ATOM 0 HD23 LEU A 86 -7.342 -18.088 -3.435 1.00 43.41 H new ATOM 1278 N MET A 87 -5.774 -13.710 -1.140 1.00 63.04 N ATOM 1279 CA MET A 87 -5.869 -12.493 -0.359 1.00 72.24 C ATOM 1280 C MET A 87 -6.237 -11.353 -1.234 1.00 1.31 C ATOM 1281 O MET A 87 -7.169 -10.582 -0.954 1.00 3.33 O ATOM 1282 CB MET A 87 -4.540 -12.204 0.344 1.00 53.34 C ATOM 1283 CG MET A 87 -4.221 -13.162 1.480 1.00 73.02 C ATOM 1284 SD MET A 87 -2.586 -12.900 2.183 1.00 74.15 S ATOM 1285 CE MET A 87 -2.759 -11.226 2.753 1.00 22.31 C ATOM 0 H MET A 87 -4.823 -13.942 -1.425 1.00 63.04 H new ATOM 0 HA MET A 87 -6.643 -12.626 0.397 1.00 72.24 H new ATOM 0 HB2 MET A 87 -3.736 -12.246 -0.390 1.00 53.34 H new ATOM 0 HB3 MET A 87 -4.561 -11.187 0.735 1.00 53.34 H new ATOM 0 HG2 MET A 87 -4.970 -13.049 2.264 1.00 73.02 H new ATOM 0 HG3 MET A 87 -4.294 -14.187 1.115 1.00 73.02 H new ATOM 0 HE1 MET A 87 -2.126 -11.072 3.627 1.00 22.31 H new ATOM 0 HE2 MET A 87 -2.459 -10.539 1.961 1.00 22.31 H new ATOM 0 HE3 MET A 87 -3.799 -11.039 3.021 1.00 22.31 H new ATOM 1295 N LEU A 88 -5.539 -11.277 -2.315 1.00 35.34 N ATOM 1296 CA LEU A 88 -5.685 -10.255 -3.243 1.00 14.13 C ATOM 1297 C LEU A 88 -7.004 -10.360 -3.977 1.00 34.21 C ATOM 1298 O LEU A 88 -7.729 -9.378 -4.043 1.00 73.33 O ATOM 1299 CB LEU A 88 -4.487 -10.283 -4.172 1.00 1.45 C ATOM 1300 CG LEU A 88 -4.703 -9.643 -5.491 1.00 34.24 C ATOM 1301 CD1 LEU A 88 -4.946 -8.135 -5.349 1.00 30.11 C ATOM 1302 CD2 LEU A 88 -3.584 -9.940 -6.460 1.00 55.13 C ATOM 0 H LEU A 88 -4.827 -11.962 -2.569 1.00 35.34 H new ATOM 0 HA LEU A 88 -5.713 -9.289 -2.740 1.00 14.13 H new ATOM 0 HB2 LEU A 88 -3.651 -9.788 -3.677 1.00 1.45 H new ATOM 0 HB3 LEU A 88 -4.194 -11.321 -4.332 1.00 1.45 H new ATOM 0 HG LEU A 88 -5.606 -10.083 -5.914 1.00 34.24 H new ATOM 0 HD11 LEU A 88 -5.101 -7.697 -6.335 1.00 30.11 H new ATOM 0 HD12 LEU A 88 -5.830 -7.965 -4.734 1.00 30.11 H new ATOM 0 HD13 LEU A 88 -4.081 -7.670 -4.877 1.00 30.11 H new ATOM 0 HD21 LEU A 88 -3.787 -9.450 -7.412 1.00 55.13 H new ATOM 0 HD22 LEU A 88 -2.643 -9.569 -6.054 1.00 55.13 H new ATOM 0 HD23 LEU A 88 -3.513 -11.017 -6.614 1.00 55.13 H new ATOM 1314 N SER A 89 -7.347 -11.545 -4.427 1.00 33.41 N ATOM 1315 CA SER A 89 -8.557 -11.755 -5.205 1.00 64.30 C ATOM 1316 C SER A 89 -9.872 -11.575 -4.367 1.00 62.12 C ATOM 1317 O SER A 89 -10.962 -11.894 -4.823 1.00 25.24 O ATOM 1318 CB SER A 89 -8.497 -13.125 -5.860 1.00 30.23 C ATOM 1319 OG SER A 89 -7.263 -13.286 -6.557 1.00 54.11 O ATOM 0 H SER A 89 -6.800 -12.391 -4.267 1.00 33.41 H new ATOM 0 HA SER A 89 -8.598 -10.982 -5.973 1.00 64.30 H new ATOM 0 HB2 SER A 89 -8.599 -13.903 -5.103 1.00 30.23 H new ATOM 0 HB3 SER A 89 -9.331 -13.242 -6.552 1.00 30.23 H new ATOM 0 HG SER A 89 -6.965 -14.217 -6.483 1.00 54.11 H new