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 84 ASN : amide:sc= 0.108 K(o=0.62,f=-0.58) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.508 K(o=0.62,f=-0.8) USER MOD Set 2.1: A 56 MET CE :methyl -106:sc= -0.983 (180deg=-4.11!) USER MOD Set 2.2: A 75 TYR OH : rot 1:sc= -0.026 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.271 X(o=0.57,f=0.75) USER MOD Set 3.2: A 67 TYR OH : rot 108:sc= 0.3 USER MOD Set 4.1: A 60 HIS : no HD1:sc= -0.284 K(o=0.48,f=-0.7) USER MOD Set 4.2: A 64 LYS NZ :NH3+ 180:sc= 0.76 (180deg=1.1) USER MOD Set 5.1: A 40 HIS : no HE2:sc= 0.642 K(o=1.2,f=-3.9!) USER MOD Set 5.2: A 47 GLN : amide:sc= 0.578 X(o=1.2,f=1.3) USER MOD Set 6.1: A 22 GLN : amide:sc= 0.606 K(o=1.5,f=-0.55) USER MOD Set 6.2: A 23 GLN : amide:sc= 0.87 K(o=1.5,f=-0.48) USER MOD Single : A 21 TYR OH : rot 38:sc= 0.77 USER MOD Single : A 30 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.8!) USER MOD Single : A 33 ASN : amide:sc= -0.926 K(o=-0.93,f=-0.15) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 37 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.19) USER MOD Single : A 38 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.049) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0805 K(o=-0.081,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.584 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 87 MET CE :methyl -143:sc= 0 (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.835 0.670 -4.432 1.00 71.35 N ATOM 69 CA ALA A 18 8.326 -0.492 -3.705 1.00 3.31 C ATOM 70 C ALA A 18 7.467 -1.415 -4.614 1.00 14.43 C ATOM 71 O ALA A 18 7.309 -2.599 -4.341 1.00 54.32 O ATOM 72 CB ALA A 18 7.563 -0.060 -2.492 1.00 72.11 C ATOM 0 HA ALA A 18 9.184 -1.080 -3.379 1.00 3.31 H new ATOM 0 HB1 ALA A 18 7.192 -0.938 -1.964 1.00 72.11 H new ATOM 0 HB2 ALA A 18 8.219 0.509 -1.833 1.00 72.11 H new ATOM 0 HB3 ALA A 18 6.722 0.564 -2.794 1.00 72.11 H new ATOM 78 N ALA A 19 6.928 -0.856 -5.696 1.00 74.42 N ATOM 79 CA ALA A 19 6.214 -1.642 -6.694 1.00 60.54 C ATOM 80 C ALA A 19 7.225 -2.202 -7.690 1.00 41.34 C ATOM 81 O ALA A 19 7.151 -3.368 -8.084 1.00 44.13 O ATOM 82 CB ALA A 19 5.174 -0.787 -7.403 1.00 1.21 C ATOM 0 H ALA A 19 6.974 0.142 -5.902 1.00 74.42 H new ATOM 0 HA ALA A 19 5.689 -2.464 -6.208 1.00 60.54 H new ATOM 0 HB1 ALA A 19 4.651 -1.391 -8.145 1.00 1.21 H new ATOM 0 HB2 ALA A 19 4.458 -0.406 -6.675 1.00 1.21 H new ATOM 0 HB3 ALA A 19 5.667 0.049 -7.898 1.00 1.21 H new ATOM 88 N ASP A 20 8.198 -1.365 -8.051 1.00 61.41 N ATOM 89 CA ASP A 20 9.313 -1.733 -8.945 1.00 2.42 C ATOM 90 C ASP A 20 10.100 -2.894 -8.344 1.00 42.55 C ATOM 91 O ASP A 20 10.647 -3.732 -9.056 1.00 54.31 O ATOM 92 CB ASP A 20 10.235 -0.531 -9.177 1.00 40.23 C ATOM 93 CG ASP A 20 9.534 0.668 -9.788 1.00 3.15 C ATOM 94 OD1 ASP A 20 8.983 1.495 -9.011 1.00 32.41 O ATOM 95 OD2 ASP A 20 9.537 0.801 -11.019 1.00 65.32 O ATOM 0 H ASP A 20 8.241 -0.398 -7.730 1.00 61.41 H new ATOM 0 HA ASP A 20 8.903 -2.042 -9.906 1.00 2.42 H new ATOM 0 HB2 ASP A 20 10.678 -0.236 -8.226 1.00 40.23 H new ATOM 0 HB3 ASP A 20 11.054 -0.833 -9.830 1.00 40.23 H new ATOM 100 N TYR A 21 10.116 -2.936 -7.013 1.00 23.51 N ATOM 101 CA TYR A 21 10.668 -4.021 -6.203 1.00 1.02 C ATOM 102 C TYR A 21 10.172 -5.377 -6.681 1.00 61.40 C ATOM 103 O TYR A 21 10.941 -6.335 -6.725 1.00 35.15 O ATOM 104 CB TYR A 21 10.258 -3.813 -4.724 1.00 23.44 C ATOM 105 CG TYR A 21 10.497 -5.024 -3.869 1.00 0.14 C ATOM 106 CD1 TYR A 21 11.772 -5.474 -3.651 1.00 15.14 C ATOM 107 CD2 TYR A 21 9.436 -5.757 -3.348 1.00 55.53 C ATOM 108 CE1 TYR A 21 12.004 -6.605 -2.938 1.00 73.02 C ATOM 109 CE2 TYR A 21 9.657 -6.913 -2.635 1.00 4.05 C ATOM 110 CZ TYR A 21 10.946 -7.339 -2.427 1.00 55.24 C ATOM 111 OH TYR A 21 11.167 -8.532 -1.745 1.00 61.51 O ATOM 0 H TYR A 21 9.728 -2.183 -6.445 1.00 23.51 H new ATOM 0 HA TYR A 21 11.754 -4.004 -6.300 1.00 1.02 H new ATOM 0 HB2 TYR A 21 10.815 -2.971 -4.314 1.00 23.44 H new ATOM 0 HB3 TYR A 21 9.202 -3.548 -4.680 1.00 23.44 H new ATOM 0 HD1 TYR A 21 12.607 -4.919 -4.053 1.00 15.14 H new ATOM 0 HD2 TYR A 21 8.424 -5.414 -3.505 1.00 55.53 H new ATOM 0 HE1 TYR A 21 13.018 -6.935 -2.768 1.00 73.02 H new ATOM 0 HE2 TYR A 21 8.825 -7.480 -2.243 1.00 4.05 H new ATOM 0 HH TYR A 21 11.972 -8.449 -1.193 1.00 61.51 H new ATOM 121 N GLN A 22 8.915 -5.447 -7.059 1.00 31.11 N ATOM 122 CA GLN A 22 8.328 -6.693 -7.479 1.00 42.24 C ATOM 123 C GLN A 22 8.961 -7.131 -8.802 1.00 12.44 C ATOM 124 O GLN A 22 9.388 -8.278 -8.951 1.00 10.02 O ATOM 125 CB GLN A 22 6.794 -6.551 -7.558 1.00 74.22 C ATOM 126 CG GLN A 22 6.047 -7.860 -7.739 1.00 55.32 C ATOM 127 CD GLN A 22 6.096 -8.410 -9.155 1.00 70.10 C ATOM 128 OE1 GLN A 22 6.086 -7.654 -10.130 1.00 35.31 O ATOM 129 NE2 GLN A 22 6.298 -9.685 -9.276 1.00 51.20 N ATOM 0 H GLN A 22 8.280 -4.649 -7.083 1.00 31.11 H new ATOM 0 HA GLN A 22 8.530 -7.477 -6.750 1.00 42.24 H new ATOM 0 HB2 GLN A 22 6.440 -6.068 -6.647 1.00 74.22 H new ATOM 0 HB3 GLN A 22 6.546 -5.888 -8.387 1.00 74.22 H new ATOM 0 HG2 GLN A 22 6.464 -8.602 -7.058 1.00 55.32 H new ATOM 0 HG3 GLN A 22 5.005 -7.714 -7.453 1.00 55.32 H new ATOM 0 HE21 GLN A 22 6.300 -10.282 -8.449 1.00 51.20 H new ATOM 0 HE22 GLN A 22 6.455 -10.091 -10.198 1.00 51.20 H new ATOM 138 N GLN A 23 9.086 -6.190 -9.730 1.00 20.01 N ATOM 139 CA GLN A 23 9.713 -6.466 -11.008 1.00 51.54 C ATOM 140 C GLN A 23 11.175 -6.813 -10.802 1.00 3.31 C ATOM 141 O GLN A 23 11.707 -7.679 -11.471 1.00 23.12 O ATOM 142 CB GLN A 23 9.568 -5.279 -11.957 1.00 30.42 C ATOM 143 CG GLN A 23 8.145 -5.040 -12.447 1.00 3.10 C ATOM 144 CD GLN A 23 7.626 -6.188 -13.304 1.00 64.12 C ATOM 145 OE1 GLN A 23 7.808 -6.198 -14.511 1.00 22.50 O ATOM 146 NE2 GLN A 23 6.963 -7.143 -12.703 1.00 34.44 N ATOM 0 H GLN A 23 8.760 -5.230 -9.617 1.00 20.01 H new ATOM 0 HA GLN A 23 9.210 -7.318 -11.464 1.00 51.54 H new ATOM 0 HB2 GLN A 23 9.922 -4.380 -11.453 1.00 30.42 H new ATOM 0 HB3 GLN A 23 10.215 -5.437 -12.820 1.00 30.42 H new ATOM 0 HG2 GLN A 23 7.486 -4.904 -11.589 1.00 3.10 H new ATOM 0 HG3 GLN A 23 8.113 -4.116 -13.024 1.00 3.10 H new ATOM 0 HE21 GLN A 23 6.825 -7.110 -11.693 1.00 34.44 H new ATOM 0 HE22 GLN A 23 6.584 -7.920 -13.245 1.00 34.44 H new ATOM 155 N LEU A 24 11.793 -6.133 -9.851 1.00 21.41 N ATOM 156 CA LEU A 24 13.172 -6.371 -9.460 1.00 62.24 C ATOM 157 C LEU A 24 13.362 -7.819 -9.010 1.00 13.34 C ATOM 158 O LEU A 24 14.074 -8.575 -9.657 1.00 64.14 O ATOM 159 CB LEU A 24 13.563 -5.414 -8.312 1.00 34.51 C ATOM 160 CG LEU A 24 14.986 -5.541 -7.748 1.00 43.31 C ATOM 161 CD1 LEU A 24 16.023 -5.213 -8.801 1.00 20.52 C ATOM 162 CD2 LEU A 24 15.156 -4.645 -6.532 1.00 34.01 C ATOM 0 H LEU A 24 11.343 -5.387 -9.320 1.00 21.41 H new ATOM 0 HA LEU A 24 13.813 -6.187 -10.322 1.00 62.24 H new ATOM 0 HB2 LEU A 24 13.429 -4.391 -8.664 1.00 34.51 H new ATOM 0 HB3 LEU A 24 12.860 -5.564 -7.493 1.00 34.51 H new ATOM 0 HG LEU A 24 15.137 -6.576 -7.442 1.00 43.31 H new ATOM 0 HD11 LEU A 24 17.020 -5.312 -8.373 1.00 20.52 H new ATOM 0 HD12 LEU A 24 15.919 -5.900 -9.640 1.00 20.52 H new ATOM 0 HD13 LEU A 24 15.877 -4.190 -9.149 1.00 20.52 H new ATOM 0 HD21 LEU A 24 16.170 -4.746 -6.144 1.00 34.01 H new ATOM 0 HD22 LEU A 24 14.979 -3.608 -6.817 1.00 34.01 H new ATOM 0 HD23 LEU A 24 14.442 -4.937 -5.762 1.00 34.01 H new ATOM 174 N ARG A 25 12.667 -8.209 -7.941 1.00 52.34 N ATOM 175 CA ARG A 25 12.853 -9.532 -7.345 1.00 23.13 C ATOM 176 C ARG A 25 12.538 -10.680 -8.290 1.00 41.21 C ATOM 177 O ARG A 25 13.347 -11.606 -8.436 1.00 64.13 O ATOM 178 CB ARG A 25 12.127 -9.694 -6.012 1.00 12.33 C ATOM 179 CG ARG A 25 10.648 -9.408 -6.037 1.00 50.32 C ATOM 180 CD ARG A 25 9.998 -9.865 -4.747 1.00 22.13 C ATOM 181 NE ARG A 25 10.114 -11.311 -4.602 1.00 13.20 N ATOM 182 CZ ARG A 25 10.594 -11.973 -3.527 1.00 23.25 C ATOM 183 NH1 ARG A 25 11.026 -11.307 -2.434 1.00 4.52 N ATOM 184 NH2 ARG A 25 10.649 -13.303 -3.565 1.00 13.02 N ATOM 0 H ARG A 25 11.972 -7.629 -7.471 1.00 52.34 H new ATOM 0 HA ARG A 25 13.922 -9.589 -7.139 1.00 23.13 H new ATOM 0 HB2 ARG A 25 12.276 -10.715 -5.660 1.00 12.33 H new ATOM 0 HB3 ARG A 25 12.594 -9.033 -5.282 1.00 12.33 H new ATOM 0 HG2 ARG A 25 10.480 -8.340 -6.177 1.00 50.32 H new ATOM 0 HG3 ARG A 25 10.187 -9.917 -6.884 1.00 50.32 H new ATOM 0 HD2 ARG A 25 10.471 -9.369 -3.899 1.00 22.13 H new ATOM 0 HD3 ARG A 25 8.947 -9.576 -4.740 1.00 22.13 H new ATOM 0 HE ARG A 25 9.802 -11.879 -5.390 1.00 13.20 H new ATOM 0 HH11 ARG A 25 10.993 -10.288 -2.412 1.00 4.52 H new ATOM 0 HH12 ARG A 25 11.385 -11.823 -1.631 1.00 4.52 H new ATOM 0 HH21 ARG A 25 10.332 -13.803 -4.396 1.00 13.02 H new ATOM 0 HH22 ARG A 25 11.008 -13.822 -2.764 1.00 13.02 H new ATOM 198 N GLU A 26 11.421 -10.601 -8.970 1.00 61.44 N ATOM 199 CA GLU A 26 11.036 -11.638 -9.887 1.00 1.34 C ATOM 200 C GLU A 26 11.915 -11.683 -11.125 1.00 73.22 C ATOM 201 O GLU A 26 11.994 -12.705 -11.784 1.00 72.54 O ATOM 202 CB GLU A 26 9.566 -11.576 -10.228 1.00 52.20 C ATOM 203 CG GLU A 26 8.682 -12.347 -9.246 1.00 31.13 C ATOM 204 CD GLU A 26 8.728 -11.862 -7.798 1.00 23.41 C ATOM 205 OE1 GLU A 26 7.924 -10.978 -7.438 1.00 70.52 O ATOM 206 OE2 GLU A 26 9.555 -12.384 -7.001 1.00 5.31 O ATOM 0 H GLU A 26 10.762 -9.825 -8.903 1.00 61.44 H new ATOM 0 HA GLU A 26 11.199 -12.583 -9.368 1.00 1.34 H new ATOM 0 HB2 GLU A 26 9.249 -10.533 -10.249 1.00 52.20 H new ATOM 0 HB3 GLU A 26 9.416 -11.975 -11.231 1.00 52.20 H new ATOM 0 HG2 GLU A 26 7.651 -12.296 -9.595 1.00 31.13 H new ATOM 0 HG3 GLU A 26 8.974 -13.397 -9.269 1.00 31.13 H new ATOM 213 N ARG A 27 12.575 -10.576 -11.455 1.00 31.43 N ATOM 214 CA ARG A 27 13.529 -10.567 -12.514 1.00 64.10 C ATOM 215 C ARG A 27 14.844 -11.160 -12.062 1.00 54.42 C ATOM 216 O ARG A 27 15.554 -11.787 -12.859 1.00 64.52 O ATOM 217 CB ARG A 27 13.744 -9.190 -13.038 1.00 33.35 C ATOM 218 CG ARG A 27 14.747 -9.180 -14.125 1.00 40.34 C ATOM 219 CD ARG A 27 14.377 -10.039 -15.344 1.00 71.22 C ATOM 220 NE ARG A 27 15.531 -10.201 -16.238 1.00 42.13 N ATOM 221 CZ ARG A 27 15.549 -10.828 -17.420 1.00 75.34 C ATOM 222 NH1 ARG A 27 14.489 -11.516 -17.847 1.00 71.12 N ATOM 223 NH2 ARG A 27 16.678 -10.834 -18.127 1.00 22.23 N ATOM 0 H ARG A 27 12.452 -9.677 -10.989 1.00 31.43 H new ATOM 0 HA ARG A 27 13.126 -11.181 -13.319 1.00 64.10 H new ATOM 0 HB2 ARG A 27 12.801 -8.787 -13.407 1.00 33.35 H new ATOM 0 HB3 ARG A 27 14.074 -8.538 -12.229 1.00 33.35 H new ATOM 0 HG2 ARG A 27 14.897 -8.152 -14.454 1.00 40.34 H new ATOM 0 HG3 ARG A 27 15.699 -9.529 -13.726 1.00 40.34 H new ATOM 0 HD2 ARG A 27 14.028 -11.017 -15.013 1.00 71.22 H new ATOM 0 HD3 ARG A 27 13.554 -9.574 -15.886 1.00 71.22 H new ATOM 0 HE ARG A 27 16.412 -9.792 -15.925 1.00 42.13 H new ATOM 0 HH11 ARG A 27 13.650 -11.569 -17.270 1.00 71.12 H new ATOM 0 HH12 ARG A 27 14.518 -11.989 -18.750 1.00 71.12 H new ATOM 0 HH21 ARG A 27 17.509 -10.366 -17.765 1.00 22.23 H new ATOM 0 HH22 ARG A 27 16.712 -11.307 -19.030 1.00 22.23 H new ATOM 237 N LEU A 28 15.150 -11.011 -10.781 1.00 13.50 N ATOM 238 CA LEU A 28 16.391 -11.520 -10.241 1.00 50.23 C ATOM 239 C LEU A 28 16.440 -12.985 -10.436 1.00 2.54 C ATOM 240 O LEU A 28 17.335 -13.484 -11.051 1.00 53.44 O ATOM 241 CB LEU A 28 16.551 -11.190 -8.757 1.00 35.11 C ATOM 242 CG LEU A 28 16.532 -9.720 -8.405 1.00 2.13 C ATOM 243 CD1 LEU A 28 16.840 -9.511 -6.944 1.00 54.32 C ATOM 244 CD2 LEU A 28 17.484 -8.958 -9.288 1.00 64.41 C ATOM 0 H LEU A 28 14.553 -10.541 -10.101 1.00 13.50 H new ATOM 0 HA LEU A 28 17.212 -11.038 -10.772 1.00 50.23 H new ATOM 0 HB2 LEU A 28 15.753 -11.687 -8.205 1.00 35.11 H new ATOM 0 HB3 LEU A 28 17.492 -11.616 -8.409 1.00 35.11 H new ATOM 0 HG LEU A 28 15.529 -9.333 -8.582 1.00 2.13 H new ATOM 0 HD11 LEU A 28 16.820 -8.445 -6.717 1.00 54.32 H new ATOM 0 HD12 LEU A 28 16.094 -10.025 -6.338 1.00 54.32 H new ATOM 0 HD13 LEU A 28 17.829 -9.911 -6.720 1.00 54.32 H new ATOM 0 HD21 LEU A 28 17.459 -7.901 -9.023 1.00 64.41 H new ATOM 0 HD22 LEU A 28 18.495 -9.343 -9.151 1.00 64.41 H new ATOM 0 HD23 LEU A 28 17.188 -9.078 -10.330 1.00 64.41 H new ATOM 256 N ILE A 29 15.403 -13.639 -9.992 1.00 64.14 N ATOM 257 CA ILE A 29 15.256 -15.091 -10.075 1.00 53.35 C ATOM 258 C ILE A 29 15.476 -15.628 -11.508 1.00 64.50 C ATOM 259 O ILE A 29 16.043 -16.703 -11.698 1.00 40.11 O ATOM 260 CB ILE A 29 13.867 -15.512 -9.475 1.00 42.25 C ATOM 261 CG1 ILE A 29 13.934 -15.631 -7.942 1.00 50.15 C ATOM 262 CG2 ILE A 29 13.341 -16.793 -10.067 1.00 34.02 C ATOM 263 CD1 ILE A 29 14.522 -14.442 -7.231 1.00 62.12 C ATOM 0 H ILE A 29 14.609 -13.178 -9.549 1.00 64.14 H new ATOM 0 HA ILE A 29 16.041 -15.554 -9.477 1.00 53.35 H new ATOM 0 HB ILE A 29 13.170 -14.717 -9.741 1.00 42.25 H new ATOM 0 HG12 ILE A 29 12.926 -15.799 -7.562 1.00 50.15 H new ATOM 0 HG13 ILE A 29 14.522 -16.513 -7.688 1.00 50.15 H new ATOM 0 HG21 ILE A 29 12.379 -17.035 -9.615 1.00 34.02 H new ATOM 0 HG22 ILE A 29 13.216 -16.672 -11.143 1.00 34.02 H new ATOM 0 HG23 ILE A 29 14.047 -17.601 -9.872 1.00 34.02 H new ATOM 0 HD11 ILE A 29 14.524 -14.625 -6.156 1.00 62.12 H new ATOM 0 HD12 ILE A 29 15.544 -14.282 -7.574 1.00 62.12 H new ATOM 0 HD13 ILE A 29 13.924 -13.557 -7.447 1.00 62.12 H new ATOM 275 N GLN A 30 15.119 -14.825 -12.490 1.00 74.01 N ATOM 276 CA GLN A 30 15.264 -15.192 -13.891 1.00 52.25 C ATOM 277 C GLN A 30 16.743 -15.245 -14.265 1.00 51.41 C ATOM 278 O GLN A 30 17.191 -16.162 -14.942 1.00 53.12 O ATOM 279 CB GLN A 30 14.545 -14.168 -14.771 1.00 54.41 C ATOM 280 CG GLN A 30 13.139 -13.887 -14.300 1.00 50.13 C ATOM 281 CD GLN A 30 12.366 -12.912 -15.169 1.00 32.31 C ATOM 282 OE1 GLN A 30 12.586 -12.796 -16.372 1.00 40.41 O ATOM 283 NE2 GLN A 30 11.459 -12.202 -14.562 1.00 75.42 N ATOM 0 H GLN A 30 14.719 -13.898 -12.343 1.00 74.01 H new ATOM 0 HA GLN A 30 14.821 -16.175 -14.049 1.00 52.25 H new ATOM 0 HB2 GLN A 30 15.114 -13.238 -14.780 1.00 54.41 H new ATOM 0 HB3 GLN A 30 14.515 -14.533 -15.797 1.00 54.41 H new ATOM 0 HG2 GLN A 30 12.590 -14.828 -14.255 1.00 50.13 H new ATOM 0 HG3 GLN A 30 13.182 -13.494 -13.284 1.00 50.13 H new ATOM 0 HE21 GLN A 30 11.302 -12.323 -13.562 1.00 75.42 H new ATOM 0 HE22 GLN A 30 10.906 -11.525 -15.087 1.00 75.42 H new ATOM 292 N GLU A 31 17.488 -14.259 -13.800 1.00 64.22 N ATOM 293 CA GLU A 31 18.907 -14.160 -14.095 1.00 31.23 C ATOM 294 C GLU A 31 19.736 -14.962 -13.112 1.00 20.20 C ATOM 295 O GLU A 31 20.875 -15.320 -13.396 1.00 22.21 O ATOM 296 CB GLU A 31 19.348 -12.693 -14.146 1.00 73.13 C ATOM 297 CG GLU A 31 18.540 -11.925 -15.162 1.00 12.43 C ATOM 298 CD GLU A 31 18.994 -10.507 -15.431 1.00 45.53 C ATOM 299 OE1 GLU A 31 20.198 -10.204 -15.322 1.00 43.24 O ATOM 300 OE2 GLU A 31 18.138 -9.667 -15.815 1.00 14.43 O ATOM 0 H GLU A 31 17.130 -13.508 -13.210 1.00 64.22 H new ATOM 0 HA GLU A 31 19.078 -14.593 -15.080 1.00 31.23 H new ATOM 0 HB2 GLU A 31 19.230 -12.239 -13.162 1.00 73.13 H new ATOM 0 HB3 GLU A 31 20.407 -12.636 -14.398 1.00 73.13 H new ATOM 0 HG2 GLU A 31 18.556 -12.476 -16.102 1.00 12.43 H new ATOM 0 HG3 GLU A 31 17.503 -11.897 -14.827 1.00 12.43 H new ATOM 307 N LEU A 32 19.158 -15.231 -11.952 1.00 5.13 N ATOM 308 CA LEU A 32 19.808 -16.011 -10.946 1.00 13.33 C ATOM 309 C LEU A 32 19.666 -17.499 -11.269 1.00 43.24 C ATOM 310 O LEU A 32 20.404 -18.335 -10.756 1.00 54.05 O ATOM 311 CB LEU A 32 19.264 -15.645 -9.549 1.00 34.20 C ATOM 312 CG LEU A 32 19.417 -14.172 -9.173 1.00 23.52 C ATOM 313 CD1 LEU A 32 19.051 -13.886 -7.741 1.00 3.52 C ATOM 314 CD2 LEU A 32 20.767 -13.598 -9.541 1.00 30.24 C ATOM 0 H LEU A 32 18.225 -14.909 -11.695 1.00 5.13 H new ATOM 0 HA LEU A 32 20.874 -15.786 -10.934 1.00 13.33 H new ATOM 0 HB2 LEU A 32 18.208 -15.910 -9.504 1.00 34.20 H new ATOM 0 HB3 LEU A 32 19.777 -16.252 -8.803 1.00 34.20 H new ATOM 0 HG LEU A 32 18.686 -13.647 -9.788 1.00 23.52 H new ATOM 0 HD11 LEU A 32 19.181 -12.823 -7.538 1.00 3.52 H new ATOM 0 HD12 LEU A 32 18.011 -14.164 -7.569 1.00 3.52 H new ATOM 0 HD13 LEU A 32 19.695 -14.464 -7.078 1.00 3.52 H new ATOM 0 HD21 LEU A 32 20.809 -12.549 -9.247 1.00 30.24 H new ATOM 0 HD22 LEU A 32 21.551 -14.152 -9.024 1.00 30.24 H new ATOM 0 HD23 LEU A 32 20.915 -13.679 -10.618 1.00 30.24 H new ATOM 326 N ASN A 33 18.668 -17.789 -12.119 1.00 71.03 N ATOM 327 CA ASN A 33 18.417 -19.102 -12.763 1.00 32.25 C ATOM 328 C ASN A 33 18.050 -20.181 -11.741 1.00 72.12 C ATOM 329 O ASN A 33 18.148 -21.379 -11.985 1.00 21.25 O ATOM 330 CB ASN A 33 19.619 -19.517 -13.656 1.00 70.24 C ATOM 331 CG ASN A 33 19.344 -20.709 -14.590 1.00 71.14 C ATOM 332 OD1 ASN A 33 20.234 -21.496 -14.888 1.00 31.11 O ATOM 333 ND2 ASN A 33 18.132 -20.815 -15.101 1.00 72.44 N ATOM 0 H ASN A 33 17.980 -17.088 -12.393 1.00 71.03 H new ATOM 0 HA ASN A 33 17.549 -18.995 -13.414 1.00 32.25 H new ATOM 0 HB2 ASN A 33 19.918 -18.661 -14.260 1.00 70.24 H new ATOM 0 HB3 ASN A 33 20.464 -19.764 -13.013 1.00 70.24 H new ATOM 0 HD21 ASN A 33 17.920 -21.565 -15.759 1.00 72.44 H new ATOM 0 HD22 ASN A 33 17.407 -20.147 -14.837 1.00 72.44 H new ATOM 340 N LEU A 34 17.547 -19.744 -10.646 1.00 62.31 N ATOM 341 CA LEU A 34 17.141 -20.615 -9.606 1.00 33.22 C ATOM 342 C LEU A 34 15.807 -20.189 -9.068 1.00 51.11 C ATOM 343 O LEU A 34 15.355 -19.090 -9.364 1.00 4.22 O ATOM 344 CB LEU A 34 18.226 -20.728 -8.513 1.00 4.14 C ATOM 345 CG LEU A 34 18.929 -19.441 -8.023 1.00 44.41 C ATOM 346 CD1 LEU A 34 17.955 -18.421 -7.497 1.00 31.32 C ATOM 347 CD2 LEU A 34 19.932 -19.793 -6.951 1.00 11.40 C ATOM 0 H LEU A 34 17.403 -18.755 -10.443 1.00 62.31 H new ATOM 0 HA LEU A 34 17.019 -21.620 -10.010 1.00 33.22 H new ATOM 0 HB2 LEU A 34 17.771 -21.206 -7.645 1.00 4.14 H new ATOM 0 HB3 LEU A 34 18.997 -21.405 -8.882 1.00 4.14 H new ATOM 0 HG LEU A 34 19.433 -18.994 -8.879 1.00 44.41 H new ATOM 0 HD11 LEU A 34 18.498 -17.536 -7.165 1.00 31.32 H new ATOM 0 HD12 LEU A 34 17.257 -18.143 -8.287 1.00 31.32 H new ATOM 0 HD13 LEU A 34 17.403 -18.844 -6.657 1.00 31.32 H new ATOM 0 HD21 LEU A 34 20.428 -18.886 -6.605 1.00 11.40 H new ATOM 0 HD22 LEU A 34 19.419 -20.268 -6.115 1.00 11.40 H new ATOM 0 HD23 LEU A 34 20.674 -20.480 -7.358 1.00 11.40 H new ATOM 359 N THR A 35 15.169 -21.025 -8.302 1.00 42.34 N ATOM 360 CA THR A 35 13.931 -20.655 -7.717 1.00 42.43 C ATOM 361 C THR A 35 14.238 -19.777 -6.510 1.00 75.14 C ATOM 362 O THR A 35 15.312 -19.916 -5.918 1.00 2.13 O ATOM 363 CB THR A 35 13.120 -21.910 -7.314 1.00 11.44 C ATOM 364 OG1 THR A 35 13.948 -22.793 -6.555 1.00 74.11 O ATOM 365 CG2 THR A 35 12.594 -22.635 -8.545 1.00 61.10 C ATOM 0 H THR A 35 15.492 -21.965 -8.073 1.00 42.34 H new ATOM 0 HA THR A 35 13.318 -20.103 -8.430 1.00 42.43 H new ATOM 0 HB THR A 35 12.270 -21.592 -6.711 1.00 11.44 H new ATOM 0 HG1 THR A 35 13.432 -23.586 -6.299 1.00 74.11 H new ATOM 0 HG21 THR A 35 12.028 -23.513 -8.236 1.00 61.10 H new ATOM 0 HG22 THR A 35 11.946 -21.966 -9.112 1.00 61.10 H new ATOM 0 HG23 THR A 35 13.431 -22.945 -9.170 1.00 61.10 H new ATOM 373 N PRO A 36 13.323 -18.873 -6.108 1.00 1.51 N ATOM 374 CA PRO A 36 13.570 -17.926 -4.991 1.00 60.22 C ATOM 375 C PRO A 36 13.815 -18.624 -3.633 1.00 62.23 C ATOM 376 O PRO A 36 14.080 -17.994 -2.659 1.00 51.43 O ATOM 377 CB PRO A 36 12.274 -17.099 -4.926 1.00 64.42 C ATOM 378 CG PRO A 36 11.253 -17.917 -5.639 1.00 33.24 C ATOM 379 CD PRO A 36 11.993 -18.658 -6.710 1.00 53.41 C ATOM 0 HA PRO A 36 14.472 -17.341 -5.170 1.00 60.22 H new ATOM 0 HB2 PRO A 36 11.978 -16.912 -3.894 1.00 64.42 H new ATOM 0 HB3 PRO A 36 12.403 -16.127 -5.402 1.00 64.42 H new ATOM 0 HG2 PRO A 36 10.760 -18.608 -4.955 1.00 33.24 H new ATOM 0 HG3 PRO A 36 10.476 -17.284 -6.068 1.00 33.24 H new ATOM 0 HD2 PRO A 36 11.506 -19.601 -6.959 1.00 53.41 H new ATOM 0 HD3 PRO A 36 12.056 -18.079 -7.631 1.00 53.41 H new ATOM 387 N GLN A 37 13.656 -19.924 -3.623 1.00 4.23 N ATOM 388 CA GLN A 37 13.818 -20.761 -2.435 1.00 20.42 C ATOM 389 C GLN A 37 15.176 -21.469 -2.402 1.00 64.43 C ATOM 390 O GLN A 37 15.598 -21.966 -1.379 1.00 35.31 O ATOM 391 CB GLN A 37 12.646 -21.720 -2.291 1.00 11.23 C ATOM 392 CG GLN A 37 11.326 -20.986 -2.067 1.00 14.14 C ATOM 393 CD GLN A 37 11.283 -20.225 -0.739 1.00 62.52 C ATOM 394 OE1 GLN A 37 10.841 -20.759 0.269 1.00 42.43 O ATOM 395 NE2 GLN A 37 11.774 -19.000 -0.723 1.00 4.14 N ATOM 0 H GLN A 37 13.404 -20.454 -4.457 1.00 4.23 H new ATOM 0 HA GLN A 37 13.811 -20.109 -1.562 1.00 20.42 H new ATOM 0 HB2 GLN A 37 12.570 -22.336 -3.187 1.00 11.23 H new ATOM 0 HB3 GLN A 37 12.831 -22.395 -1.455 1.00 11.23 H new ATOM 0 HG2 GLN A 37 11.162 -20.286 -2.886 1.00 14.14 H new ATOM 0 HG3 GLN A 37 10.507 -21.705 -2.094 1.00 14.14 H new ATOM 0 HE21 GLN A 37 12.135 -18.584 -1.582 1.00 4.14 H new ATOM 0 HE22 GLN A 37 11.793 -18.469 0.148 1.00 4.14 H new ATOM 404 N GLN A 38 15.866 -21.496 -3.552 1.00 3.52 N ATOM 405 CA GLN A 38 17.248 -22.029 -3.626 1.00 51.31 C ATOM 406 C GLN A 38 18.173 -20.837 -3.458 1.00 60.35 C ATOM 407 O GLN A 38 19.388 -20.887 -3.661 1.00 1.24 O ATOM 408 CB GLN A 38 17.518 -22.676 -4.993 1.00 70.41 C ATOM 409 CG GLN A 38 16.639 -23.866 -5.337 1.00 52.54 C ATOM 410 CD GLN A 38 16.763 -25.005 -4.351 1.00 12.55 C ATOM 411 OE1 GLN A 38 16.033 -25.084 -3.386 1.00 71.43 O ATOM 412 NE2 GLN A 38 17.693 -25.891 -4.590 1.00 52.34 N ATOM 0 H GLN A 38 15.499 -21.159 -4.442 1.00 3.52 H new ATOM 0 HA GLN A 38 17.402 -22.789 -2.860 1.00 51.31 H new ATOM 0 HB2 GLN A 38 17.392 -21.918 -5.766 1.00 70.41 H new ATOM 0 HB3 GLN A 38 18.560 -22.994 -5.026 1.00 70.41 H new ATOM 0 HG2 GLN A 38 15.599 -23.541 -5.378 1.00 52.54 H new ATOM 0 HG3 GLN A 38 16.900 -24.226 -6.332 1.00 52.54 H new ATOM 0 HE21 GLN A 38 18.290 -25.795 -5.411 1.00 52.34 H new ATOM 0 HE22 GLN A 38 17.822 -26.679 -3.955 1.00 52.34 H new ATOM 421 N LEU A 39 17.550 -19.799 -3.055 1.00 12.13 N ATOM 422 CA LEU A 39 18.055 -18.515 -2.914 1.00 13.44 C ATOM 423 C LEU A 39 17.399 -17.945 -1.679 1.00 30.01 C ATOM 424 O LEU A 39 16.411 -18.477 -1.219 1.00 41.22 O ATOM 425 CB LEU A 39 17.632 -17.717 -4.161 1.00 21.44 C ATOM 426 CG LEU A 39 17.640 -16.199 -4.068 1.00 65.15 C ATOM 427 CD1 LEU A 39 19.042 -15.639 -3.826 1.00 1.31 C ATOM 428 CD2 LEU A 39 17.046 -15.584 -5.302 1.00 20.44 C ATOM 0 H LEU A 39 16.566 -19.848 -2.790 1.00 12.13 H new ATOM 0 HA LEU A 39 19.140 -18.485 -2.819 1.00 13.44 H new ATOM 0 HB2 LEU A 39 18.288 -18.006 -4.982 1.00 21.44 H new ATOM 0 HB3 LEU A 39 16.624 -18.031 -4.433 1.00 21.44 H new ATOM 0 HG LEU A 39 17.027 -15.935 -3.206 1.00 65.15 H new ATOM 0 HD11 LEU A 39 18.994 -14.552 -3.767 1.00 1.31 H new ATOM 0 HD12 LEU A 39 19.436 -16.036 -2.890 1.00 1.31 H new ATOM 0 HD13 LEU A 39 19.697 -15.930 -4.648 1.00 1.31 H new ATOM 0 HD21 LEU A 39 17.063 -14.498 -5.212 1.00 20.44 H new ATOM 0 HD22 LEU A 39 17.627 -15.885 -6.174 1.00 20.44 H new ATOM 0 HD23 LEU A 39 16.016 -15.922 -5.418 1.00 20.44 H new ATOM 440 N HIS A 40 17.990 -16.960 -1.117 1.00 25.21 N ATOM 441 CA HIS A 40 17.396 -16.221 -0.061 1.00 32.42 C ATOM 442 C HIS A 40 17.288 -14.811 -0.571 1.00 74.20 C ATOM 443 O HIS A 40 18.304 -14.203 -0.842 1.00 53.41 O ATOM 444 CB HIS A 40 18.283 -16.248 1.173 1.00 61.32 C ATOM 445 CG HIS A 40 18.485 -17.615 1.789 1.00 15.45 C ATOM 446 ND1 HIS A 40 19.688 -18.302 1.804 1.00 14.03 N ATOM 447 CD2 HIS A 40 17.607 -18.401 2.460 1.00 4.14 C ATOM 448 CE1 HIS A 40 19.499 -19.447 2.467 1.00 64.35 C ATOM 449 NE2 HIS A 40 18.257 -19.557 2.886 1.00 42.33 N ATOM 0 H HIS A 40 18.920 -16.635 -1.381 1.00 25.21 H new ATOM 0 HA HIS A 40 16.429 -16.636 0.221 1.00 32.42 H new ATOM 0 HB2 HIS A 40 19.258 -15.838 0.910 1.00 61.32 H new ATOM 0 HB3 HIS A 40 17.852 -15.588 1.926 1.00 61.32 H new ATOM 0 HD1 HIS A 40 20.563 -17.989 1.383 1.00 14.03 H new ATOM 0 HD2 HIS A 40 16.567 -18.167 2.636 1.00 4.14 H new ATOM 0 HE1 HIS A 40 20.267 -20.187 2.637 1.00 64.35 H new ATOM 457 N GLU A 41 16.089 -14.317 -0.770 1.00 52.20 N ATOM 458 CA GLU A 41 15.911 -12.987 -1.350 1.00 1.35 C ATOM 459 C GLU A 41 16.172 -11.902 -0.315 1.00 31.25 C ATOM 460 O GLU A 41 16.790 -10.860 -0.596 1.00 25.45 O ATOM 461 CB GLU A 41 14.500 -12.795 -1.936 1.00 74.21 C ATOM 462 CG GLU A 41 13.925 -14.002 -2.659 1.00 42.34 C ATOM 463 CD GLU A 41 13.120 -14.884 -1.727 1.00 71.34 C ATOM 464 OE1 GLU A 41 13.696 -15.432 -0.768 1.00 1.52 O ATOM 465 OE2 GLU A 41 11.885 -14.973 -1.929 1.00 63.44 O ATOM 0 H GLU A 41 15.222 -14.804 -0.544 1.00 52.20 H new ATOM 0 HA GLU A 41 16.636 -12.903 -2.160 1.00 1.35 H new ATOM 0 HB2 GLU A 41 13.823 -12.521 -1.127 1.00 74.21 H new ATOM 0 HB3 GLU A 41 14.524 -11.955 -2.630 1.00 74.21 H new ATOM 0 HG2 GLU A 41 13.291 -13.666 -3.480 1.00 42.34 H new ATOM 0 HG3 GLU A 41 14.736 -14.583 -3.099 1.00 42.34 H new ATOM 472 N GLU A 42 15.726 -12.156 0.887 1.00 53.32 N ATOM 473 CA GLU A 42 15.871 -11.194 1.958 1.00 11.54 C ATOM 474 C GLU A 42 17.182 -11.426 2.715 1.00 41.12 C ATOM 475 O GLU A 42 17.465 -10.801 3.726 1.00 62.22 O ATOM 476 CB GLU A 42 14.657 -11.248 2.887 1.00 41.33 C ATOM 477 CG GLU A 42 13.313 -11.104 2.151 1.00 63.53 C ATOM 478 CD GLU A 42 13.276 -9.914 1.202 1.00 74.01 C ATOM 479 OE1 GLU A 42 13.690 -8.824 1.607 1.00 21.31 O ATOM 480 OE2 GLU A 42 12.826 -10.075 0.039 1.00 54.01 O ATOM 0 H GLU A 42 15.258 -13.022 1.154 1.00 53.32 H new ATOM 0 HA GLU A 42 15.916 -10.191 1.533 1.00 11.54 H new ATOM 0 HB2 GLU A 42 14.666 -12.194 3.429 1.00 41.33 H new ATOM 0 HB3 GLU A 42 14.742 -10.455 3.630 1.00 41.33 H new ATOM 0 HG2 GLU A 42 13.114 -12.016 1.588 1.00 63.53 H new ATOM 0 HG3 GLU A 42 12.513 -11.001 2.884 1.00 63.53 H new ATOM 487 N SER A 43 17.947 -12.349 2.217 1.00 45.04 N ATOM 488 CA SER A 43 19.265 -12.658 2.700 1.00 41.50 C ATOM 489 C SER A 43 20.214 -12.532 1.513 1.00 73.25 C ATOM 490 O SER A 43 19.748 -12.249 0.423 1.00 11.43 O ATOM 491 CB SER A 43 19.319 -14.019 3.350 1.00 2.35 C ATOM 492 OG SER A 43 18.255 -14.150 4.282 1.00 52.04 O ATOM 0 H SER A 43 17.662 -12.933 1.431 1.00 45.04 H new ATOM 0 HA SER A 43 19.563 -11.964 3.486 1.00 41.50 H new ATOM 0 HB2 SER A 43 19.247 -14.798 2.591 1.00 2.35 H new ATOM 0 HB3 SER A 43 20.276 -14.153 3.855 1.00 2.35 H new ATOM 0 HG SER A 43 18.293 -15.036 4.700 1.00 52.04 H new ATOM 498 N ASN A 44 21.514 -12.609 1.749 1.00 4.45 N ATOM 499 CA ASN A 44 22.542 -12.417 0.695 1.00 54.24 C ATOM 500 C ASN A 44 22.232 -13.036 -0.661 1.00 34.14 C ATOM 501 O ASN A 44 22.305 -14.240 -0.854 1.00 24.34 O ATOM 502 CB ASN A 44 23.972 -12.769 1.147 1.00 53.33 C ATOM 503 CG ASN A 44 24.513 -11.847 2.237 1.00 24.50 C ATOM 504 OD1 ASN A 44 23.771 -11.333 3.056 1.00 53.50 O ATOM 505 ND2 ASN A 44 25.811 -11.629 2.248 1.00 12.12 N ATOM 0 H ASN A 44 21.904 -12.806 2.671 1.00 4.45 H new ATOM 0 HA ASN A 44 22.496 -11.340 0.536 1.00 54.24 H new ATOM 0 HB2 ASN A 44 23.986 -13.796 1.512 1.00 53.33 H new ATOM 0 HB3 ASN A 44 24.637 -12.728 0.285 1.00 53.33 H new ATOM 0 HD21 ASN A 44 26.219 -11.017 2.954 1.00 12.12 H new ATOM 0 HD22 ASN A 44 26.409 -12.072 1.550 1.00 12.12 H new ATOM 512 N LEU A 45 21.940 -12.154 -1.606 1.00 55.21 N ATOM 513 CA LEU A 45 21.619 -12.503 -2.990 1.00 55.03 C ATOM 514 C LEU A 45 22.858 -12.944 -3.749 1.00 10.22 C ATOM 515 O LEU A 45 22.759 -13.583 -4.784 1.00 41.23 O ATOM 516 CB LEU A 45 20.992 -11.299 -3.691 1.00 62.30 C ATOM 517 CG LEU A 45 19.689 -10.764 -3.106 1.00 23.33 C ATOM 518 CD1 LEU A 45 19.283 -9.487 -3.809 1.00 15.54 C ATOM 519 CD2 LEU A 45 18.592 -11.792 -3.244 1.00 54.12 C ATOM 0 H LEU A 45 21.918 -11.149 -1.431 1.00 55.21 H new ATOM 0 HA LEU A 45 20.914 -13.334 -2.976 1.00 55.03 H new ATOM 0 HB2 LEU A 45 21.721 -10.489 -3.693 1.00 62.30 H new ATOM 0 HB3 LEU A 45 20.812 -11.568 -4.732 1.00 62.30 H new ATOM 0 HG LEU A 45 19.847 -10.553 -2.048 1.00 23.33 H new ATOM 0 HD11 LEU A 45 18.351 -9.117 -3.381 1.00 15.54 H new ATOM 0 HD12 LEU A 45 20.064 -8.737 -3.682 1.00 15.54 H new ATOM 0 HD13 LEU A 45 19.141 -9.686 -4.871 1.00 15.54 H new ATOM 0 HD21 LEU A 45 17.668 -11.397 -2.822 1.00 54.12 H new ATOM 0 HD22 LEU A 45 18.440 -12.023 -4.298 1.00 54.12 H new ATOM 0 HD23 LEU A 45 18.875 -12.700 -2.711 1.00 54.12 H new ATOM 531 N ILE A 46 24.025 -12.636 -3.197 1.00 35.44 N ATOM 532 CA ILE A 46 25.317 -13.011 -3.802 1.00 70.03 C ATOM 533 C ILE A 46 25.524 -14.545 -3.659 1.00 55.44 C ATOM 534 O ILE A 46 26.462 -15.128 -4.173 1.00 13.35 O ATOM 535 CB ILE A 46 26.499 -12.226 -3.128 1.00 65.45 C ATOM 536 CG1 ILE A 46 26.252 -10.703 -3.160 1.00 73.04 C ATOM 537 CG2 ILE A 46 27.832 -12.537 -3.801 1.00 14.24 C ATOM 538 CD1 ILE A 46 26.202 -10.082 -4.548 1.00 2.42 C ATOM 0 H ILE A 46 24.113 -12.121 -2.321 1.00 35.44 H new ATOM 0 HA ILE A 46 25.306 -12.747 -4.859 1.00 70.03 H new ATOM 0 HB ILE A 46 26.544 -12.556 -2.090 1.00 65.45 H new ATOM 0 HG12 ILE A 46 25.311 -10.493 -2.652 1.00 73.04 H new ATOM 0 HG13 ILE A 46 27.039 -10.212 -2.588 1.00 73.04 H new ATOM 0 HG21 ILE A 46 28.627 -11.977 -3.309 1.00 14.24 H new ATOM 0 HG22 ILE A 46 28.038 -13.604 -3.723 1.00 14.24 H new ATOM 0 HG23 ILE A 46 27.784 -12.252 -4.852 1.00 14.24 H new ATOM 0 HD11 ILE A 46 26.024 -9.010 -4.461 1.00 2.42 H new ATOM 0 HD12 ILE A 46 27.151 -10.252 -5.057 1.00 2.42 H new ATOM 0 HD13 ILE A 46 25.395 -10.538 -5.122 1.00 2.42 H new ATOM 550 N GLN A 47 24.610 -15.173 -2.933 1.00 22.32 N ATOM 551 CA GLN A 47 24.582 -16.610 -2.773 1.00 24.02 C ATOM 552 C GLN A 47 24.176 -17.246 -4.110 1.00 60.34 C ATOM 553 O GLN A 47 24.458 -18.409 -4.391 1.00 13.43 O ATOM 554 CB GLN A 47 23.540 -16.957 -1.743 1.00 65.44 C ATOM 555 CG GLN A 47 23.565 -18.382 -1.306 1.00 61.23 C ATOM 556 CD GLN A 47 22.335 -18.753 -0.501 1.00 63.42 C ATOM 557 OE1 GLN A 47 22.300 -18.599 0.712 1.00 30.15 O ATOM 558 NE2 GLN A 47 21.315 -19.252 -1.170 1.00 35.34 N ATOM 0 H GLN A 47 23.862 -14.690 -2.436 1.00 22.32 H new ATOM 0 HA GLN A 47 25.561 -16.975 -2.462 1.00 24.02 H new ATOM 0 HB2 GLN A 47 23.680 -16.318 -0.871 1.00 65.44 H new ATOM 0 HB3 GLN A 47 22.554 -16.730 -2.149 1.00 65.44 H new ATOM 0 HG2 GLN A 47 23.633 -19.028 -2.181 1.00 61.23 H new ATOM 0 HG3 GLN A 47 24.458 -18.561 -0.707 1.00 61.23 H new ATOM 0 HE21 GLN A 47 21.376 -19.368 -2.182 1.00 35.34 H new ATOM 0 HE22 GLN A 47 20.464 -19.522 -0.676 1.00 35.34 H new ATOM 567 N ALA A 48 23.488 -16.461 -4.901 1.00 70.23 N ATOM 568 CA ALA A 48 23.043 -16.854 -6.206 1.00 62.33 C ATOM 569 C ALA A 48 23.994 -16.244 -7.217 1.00 21.13 C ATOM 570 O ALA A 48 24.940 -15.554 -6.826 1.00 64.14 O ATOM 571 CB ALA A 48 21.632 -16.345 -6.417 1.00 15.41 C ATOM 0 H ALA A 48 23.218 -15.511 -4.646 1.00 70.23 H new ATOM 0 HA ALA A 48 23.036 -17.938 -6.317 1.00 62.33 H new ATOM 0 HB1 ALA A 48 21.284 -16.639 -7.407 1.00 15.41 H new ATOM 0 HB2 ALA A 48 20.974 -16.772 -5.660 1.00 15.41 H new ATOM 0 HB3 ALA A 48 21.621 -15.258 -6.336 1.00 15.41 H new ATOM 577 N GLY A 49 23.766 -16.458 -8.501 1.00 70.40 N ATOM 578 CA GLY A 49 24.671 -15.882 -9.459 1.00 70.30 C ATOM 579 C GLY A 49 24.322 -14.443 -9.705 1.00 45.22 C ATOM 580 O GLY A 49 23.605 -14.120 -10.643 1.00 73.04 O ATOM 0 H GLY A 49 22.995 -17.003 -8.886 1.00 70.40 H new ATOM 0 HA2 GLY A 49 25.695 -15.958 -9.093 1.00 70.30 H new ATOM 0 HA3 GLY A 49 24.625 -16.440 -10.394 1.00 70.30 H new ATOM 584 N LEU A 50 24.861 -13.590 -8.883 1.00 34.23 N ATOM 585 CA LEU A 50 24.617 -12.208 -8.943 1.00 35.23 C ATOM 586 C LEU A 50 25.948 -11.500 -8.963 1.00 65.22 C ATOM 587 O LEU A 50 26.642 -11.408 -7.948 1.00 74.10 O ATOM 588 CB LEU A 50 23.786 -11.779 -7.729 1.00 3.15 C ATOM 589 CG LEU A 50 23.408 -10.314 -7.677 1.00 2.43 C ATOM 590 CD1 LEU A 50 22.438 -9.958 -8.790 1.00 15.41 C ATOM 591 CD2 LEU A 50 22.843 -9.931 -6.329 1.00 24.53 C ATOM 0 H LEU A 50 25.500 -13.862 -8.136 1.00 34.23 H new ATOM 0 HA LEU A 50 24.055 -11.952 -9.841 1.00 35.23 H new ATOM 0 HB2 LEU A 50 22.872 -12.372 -7.710 1.00 3.15 H new ATOM 0 HB3 LEU A 50 24.344 -12.024 -6.825 1.00 3.15 H new ATOM 0 HG LEU A 50 24.322 -9.739 -7.827 1.00 2.43 H new ATOM 0 HD11 LEU A 50 22.185 -8.900 -8.727 1.00 15.41 H new ATOM 0 HD12 LEU A 50 22.901 -10.164 -9.755 1.00 15.41 H new ATOM 0 HD13 LEU A 50 21.532 -10.555 -8.687 1.00 15.41 H new ATOM 0 HD21 LEU A 50 22.584 -8.872 -6.331 1.00 24.53 H new ATOM 0 HD22 LEU A 50 21.950 -10.523 -6.127 1.00 24.53 H new ATOM 0 HD23 LEU A 50 23.587 -10.121 -5.555 1.00 24.53 H new ATOM 603 N ASP A 51 26.316 -11.090 -10.126 1.00 30.30 N ATOM 604 CA ASP A 51 27.557 -10.399 -10.371 1.00 63.24 C ATOM 605 C ASP A 51 27.375 -8.901 -10.165 1.00 2.41 C ATOM 606 O ASP A 51 26.317 -8.440 -9.735 1.00 11.04 O ATOM 607 CB ASP A 51 28.020 -10.674 -11.803 1.00 41.01 C ATOM 608 CG ASP A 51 26.926 -10.377 -12.808 1.00 72.44 C ATOM 609 OD1 ASP A 51 26.553 -9.216 -12.979 1.00 22.12 O ATOM 610 OD2 ASP A 51 26.400 -11.318 -13.405 1.00 74.23 O ATOM 0 H ASP A 51 25.753 -11.225 -10.966 1.00 30.30 H new ATOM 0 HA ASP A 51 28.310 -10.759 -9.670 1.00 63.24 H new ATOM 0 HB2 ASP A 51 28.896 -10.065 -12.026 1.00 41.01 H new ATOM 0 HB3 ASP A 51 28.325 -11.716 -11.894 1.00 41.01 H new ATOM 680 N ILE A 53 27.573 -6.645 -12.578 1.00 72.11 N ATOM 681 CA ILE A 53 27.026 -6.018 -13.713 1.00 0.11 C ATOM 682 C ILE A 53 25.535 -5.958 -13.504 1.00 15.21 C ATOM 683 O ILE A 53 24.868 -5.002 -13.903 1.00 72.25 O ATOM 684 CB ILE A 53 27.455 -6.725 -15.041 1.00 63.44 C ATOM 685 CG1 ILE A 53 27.806 -5.699 -16.100 1.00 45.42 C ATOM 686 CG2 ILE A 53 26.412 -7.712 -15.595 1.00 31.44 C ATOM 687 CD1 ILE A 53 26.687 -4.738 -16.412 1.00 31.43 C ATOM 0 HA ILE A 53 27.412 -5.005 -13.827 1.00 0.11 H new ATOM 0 HB ILE A 53 28.332 -7.319 -14.785 1.00 63.44 H new ATOM 0 HG12 ILE A 53 28.677 -5.133 -15.769 1.00 45.42 H new ATOM 0 HG13 ILE A 53 28.092 -6.218 -17.015 1.00 45.42 H new ATOM 0 HG21 ILE A 53 26.787 -8.159 -16.516 1.00 31.44 H new ATOM 0 HG22 ILE A 53 26.227 -8.496 -14.861 1.00 31.44 H new ATOM 0 HG23 ILE A 53 25.482 -7.181 -15.801 1.00 31.44 H new ATOM 0 HD11 ILE A 53 27.014 -4.035 -17.178 1.00 31.43 H new ATOM 0 HD12 ILE A 53 25.821 -5.293 -16.774 1.00 31.43 H new ATOM 0 HD13 ILE A 53 26.415 -4.190 -15.509 1.00 31.43 H new ATOM 699 N ARG A 54 25.023 -6.970 -12.828 1.00 43.34 N ATOM 700 CA ARG A 54 23.676 -6.952 -12.374 1.00 62.44 C ATOM 701 C ARG A 54 23.493 -5.799 -11.435 1.00 73.31 C ATOM 702 O ARG A 54 22.643 -4.961 -11.675 1.00 0.50 O ATOM 703 CB ARG A 54 23.276 -8.255 -11.705 1.00 43.11 C ATOM 704 CG ARG A 54 22.608 -9.257 -12.630 1.00 22.14 C ATOM 705 CD ARG A 54 23.497 -9.714 -13.767 1.00 20.41 C ATOM 706 NE ARG A 54 22.762 -10.645 -14.633 1.00 14.03 N ATOM 707 CZ ARG A 54 23.236 -11.789 -15.127 1.00 32.04 C ATOM 708 NH1 ARG A 54 24.476 -12.183 -14.875 1.00 61.24 N ATOM 709 NH2 ARG A 54 22.440 -12.551 -15.867 1.00 73.23 N ATOM 0 H ARG A 54 25.539 -7.816 -12.587 1.00 43.34 H new ATOM 0 HA ARG A 54 23.025 -6.835 -13.240 1.00 62.44 H new ATOM 0 HB2 ARG A 54 24.165 -8.715 -11.273 1.00 43.11 H new ATOM 0 HB3 ARG A 54 22.599 -8.033 -10.880 1.00 43.11 H new ATOM 0 HG2 ARG A 54 22.299 -10.126 -12.049 1.00 22.14 H new ATOM 0 HG3 ARG A 54 21.703 -8.811 -13.043 1.00 22.14 H new ATOM 0 HD2 ARG A 54 23.833 -8.854 -14.346 1.00 20.41 H new ATOM 0 HD3 ARG A 54 24.389 -10.199 -13.370 1.00 20.41 H new ATOM 0 HE ARG A 54 21.804 -10.394 -14.878 1.00 14.03 H new ATOM 0 HH11 ARG A 54 25.086 -11.608 -14.294 1.00 61.24 H new ATOM 0 HH12 ARG A 54 24.821 -13.062 -15.262 1.00 61.24 H new ATOM 0 HH21 ARG A 54 21.480 -12.258 -16.051 1.00 73.23 H new ATOM 0 HH22 ARG A 54 22.788 -13.429 -16.252 1.00 73.23 H new ATOM 723 N LEU A 55 24.337 -5.705 -10.402 1.00 62.32 N ATOM 724 CA LEU A 55 24.199 -4.608 -9.454 1.00 33.42 C ATOM 725 C LEU A 55 24.353 -3.237 -10.074 1.00 72.14 C ATOM 726 O LEU A 55 23.531 -2.387 -9.812 1.00 51.02 O ATOM 727 CB LEU A 55 25.030 -4.717 -8.161 1.00 42.22 C ATOM 728 CG LEU A 55 24.527 -5.692 -7.086 1.00 53.51 C ATOM 729 CD1 LEU A 55 24.884 -7.113 -7.405 1.00 51.41 C ATOM 730 CD2 LEU A 55 25.024 -5.297 -5.709 1.00 73.24 C ATOM 0 H LEU A 55 25.098 -6.356 -10.209 1.00 62.32 H new ATOM 0 HA LEU A 55 23.161 -4.724 -9.141 1.00 33.42 H new ATOM 0 HB2 LEU A 55 26.044 -5.009 -8.434 1.00 42.22 H new ATOM 0 HB3 LEU A 55 25.093 -3.725 -7.715 1.00 42.22 H new ATOM 0 HG LEU A 55 23.439 -5.628 -7.081 1.00 53.51 H new ATOM 0 HD11 LEU A 55 24.509 -7.768 -6.618 1.00 51.41 H new ATOM 0 HD12 LEU A 55 24.435 -7.396 -8.357 1.00 51.41 H new ATOM 0 HD13 LEU A 55 25.968 -7.210 -7.471 1.00 51.41 H new ATOM 0 HD21 LEU A 55 24.651 -6.006 -4.970 1.00 73.24 H new ATOM 0 HD22 LEU A 55 26.114 -5.303 -5.700 1.00 73.24 H new ATOM 0 HD23 LEU A 55 24.665 -4.297 -5.466 1.00 73.24 H new ATOM 742 N MET A 56 25.362 -3.013 -10.931 1.00 24.12 N ATOM 743 CA MET A 56 25.526 -1.657 -11.499 1.00 12.13 C ATOM 744 C MET A 56 24.327 -1.277 -12.362 1.00 65.44 C ATOM 745 O MET A 56 23.907 -0.116 -12.403 1.00 53.32 O ATOM 746 CB MET A 56 26.858 -1.450 -12.248 1.00 2.03 C ATOM 747 CG MET A 56 28.147 -1.539 -11.393 1.00 21.21 C ATOM 748 SD MET A 56 28.090 -0.618 -9.843 1.00 22.43 S ATOM 749 CE MET A 56 27.400 -1.842 -8.724 1.00 73.43 C ATOM 0 H MET A 56 26.044 -3.707 -11.236 1.00 24.12 H new ATOM 0 HA MET A 56 25.568 -0.977 -10.648 1.00 12.13 H new ATOM 0 HB2 MET A 56 26.923 -2.193 -13.043 1.00 2.03 H new ATOM 0 HB3 MET A 56 26.832 -0.472 -12.728 1.00 2.03 H new ATOM 0 HG2 MET A 56 28.347 -2.587 -11.170 1.00 21.21 H new ATOM 0 HG3 MET A 56 28.986 -1.174 -11.986 1.00 21.21 H new ATOM 0 HE1 MET A 56 26.362 -1.590 -8.504 1.00 73.43 H new ATOM 0 HE2 MET A 56 27.444 -2.826 -9.190 1.00 73.43 H new ATOM 0 HE3 MET A 56 27.975 -1.853 -7.798 1.00 73.43 H new ATOM 759 N ARG A 57 23.759 -2.277 -13.001 1.00 11.12 N ATOM 760 CA ARG A 57 22.539 -2.151 -13.755 1.00 54.21 C ATOM 761 C ARG A 57 21.372 -1.775 -12.843 1.00 73.34 C ATOM 762 O ARG A 57 20.628 -0.830 -13.131 1.00 5.02 O ATOM 763 CB ARG A 57 22.288 -3.460 -14.399 1.00 34.42 C ATOM 764 CG ARG A 57 20.976 -3.603 -15.065 1.00 70.43 C ATOM 765 CD ARG A 57 21.067 -4.797 -15.895 1.00 1.15 C ATOM 766 NE ARG A 57 19.766 -5.360 -16.223 1.00 61.11 N ATOM 767 CZ ARG A 57 19.468 -6.662 -16.085 1.00 14.33 C ATOM 768 NH1 ARG A 57 20.420 -7.540 -15.746 1.00 73.32 N ATOM 769 NH2 ARG A 57 18.238 -7.090 -16.294 1.00 15.34 N ATOM 0 H ARG A 57 24.145 -3.221 -13.008 1.00 11.12 H new ATOM 0 HA ARG A 57 22.632 -1.362 -14.501 1.00 54.21 H new ATOM 0 HB2 ARG A 57 23.071 -3.638 -15.136 1.00 34.42 H new ATOM 0 HB3 ARG A 57 22.379 -4.240 -13.643 1.00 34.42 H new ATOM 0 HG2 ARG A 57 20.176 -3.700 -14.331 1.00 70.43 H new ATOM 0 HG3 ARG A 57 20.749 -2.725 -15.670 1.00 70.43 H new ATOM 0 HD2 ARG A 57 21.594 -4.553 -16.817 1.00 1.15 H new ATOM 0 HD3 ARG A 57 21.662 -5.549 -15.377 1.00 1.15 H new ATOM 0 HE ARG A 57 19.043 -4.733 -16.576 1.00 61.11 H new ATOM 0 HH11 ARG A 57 21.376 -7.221 -15.591 1.00 73.32 H new ATOM 0 HH12 ARG A 57 20.189 -8.528 -15.642 1.00 73.32 H new ATOM 0 HH21 ARG A 57 17.507 -6.431 -16.562 1.00 15.34 H new ATOM 0 HH22 ARG A 57 18.018 -8.080 -16.188 1.00 15.34 H new ATOM 783 N TRP A 58 21.231 -2.521 -11.742 1.00 54.42 N ATOM 784 CA TRP A 58 20.203 -2.266 -10.735 1.00 52.42 C ATOM 785 C TRP A 58 20.323 -0.876 -10.180 1.00 65.32 C ATOM 786 O TRP A 58 19.337 -0.140 -10.144 1.00 42.42 O ATOM 787 CB TRP A 58 20.212 -3.338 -9.634 1.00 53.12 C ATOM 788 CG TRP A 58 19.892 -4.719 -10.153 1.00 51.21 C ATOM 789 CD1 TRP A 58 20.533 -5.876 -9.832 1.00 71.23 C ATOM 790 CD2 TRP A 58 18.855 -5.084 -11.096 1.00 25.10 C ATOM 791 NE1 TRP A 58 19.992 -6.929 -10.531 1.00 22.43 N ATOM 792 CE2 TRP A 58 18.955 -6.468 -11.302 1.00 1.42 C ATOM 793 CE3 TRP A 58 17.853 -4.372 -11.787 1.00 31.43 C ATOM 794 CZ2 TRP A 58 18.104 -7.156 -12.163 1.00 51.23 C ATOM 795 CZ3 TRP A 58 17.010 -5.062 -12.630 1.00 23.21 C ATOM 796 CH2 TRP A 58 17.140 -6.437 -12.813 1.00 15.34 C ATOM 0 H TRP A 58 21.829 -3.319 -11.527 1.00 54.42 H new ATOM 0 HA TRP A 58 19.231 -2.332 -11.224 1.00 52.42 H new ATOM 0 HB2 TRP A 58 21.192 -3.353 -9.157 1.00 53.12 H new ATOM 0 HB3 TRP A 58 19.488 -3.068 -8.865 1.00 53.12 H new ATOM 0 HD1 TRP A 58 21.349 -5.955 -9.129 1.00 71.23 H new ATOM 0 HE1 TRP A 58 20.310 -7.897 -10.484 1.00 22.43 H new ATOM 0 HE3 TRP A 58 17.748 -3.305 -11.658 1.00 31.43 H new ATOM 0 HZ2 TRP A 58 18.202 -8.221 -12.312 1.00 51.23 H new ATOM 0 HZ3 TRP A 58 16.234 -4.528 -13.159 1.00 23.21 H new ATOM 0 HH2 TRP A 58 16.464 -6.946 -13.484 1.00 15.34 H new ATOM 807 N LEU A 59 21.532 -0.488 -9.812 1.00 1.22 N ATOM 808 CA LEU A 59 21.808 0.855 -9.297 1.00 11.13 C ATOM 809 C LEU A 59 21.317 1.903 -10.221 1.00 33.51 C ATOM 810 O LEU A 59 20.509 2.736 -9.853 1.00 42.15 O ATOM 811 CB LEU A 59 23.292 1.073 -9.087 1.00 63.14 C ATOM 812 CG LEU A 59 23.843 0.761 -7.723 1.00 23.43 C ATOM 813 CD1 LEU A 59 23.268 1.695 -6.691 1.00 53.40 C ATOM 814 CD2 LEU A 59 23.622 -0.672 -7.357 1.00 24.24 C ATOM 0 H LEU A 59 22.354 -1.090 -9.859 1.00 1.22 H new ATOM 0 HA LEU A 59 21.284 0.929 -8.344 1.00 11.13 H new ATOM 0 HB2 LEU A 59 23.830 0.467 -9.816 1.00 63.14 H new ATOM 0 HB3 LEU A 59 23.516 2.116 -9.312 1.00 63.14 H new ATOM 0 HG LEU A 59 24.921 0.918 -7.751 1.00 23.43 H new ATOM 0 HD11 LEU A 59 23.679 1.452 -5.711 1.00 53.40 H new ATOM 0 HD12 LEU A 59 23.524 2.723 -6.948 1.00 53.40 H new ATOM 0 HD13 LEU A 59 22.184 1.587 -6.666 1.00 53.40 H new ATOM 0 HD21 LEU A 59 24.033 -0.862 -6.365 1.00 24.24 H new ATOM 0 HD22 LEU A 59 22.553 -0.886 -7.354 1.00 24.24 H new ATOM 0 HD23 LEU A 59 24.119 -1.314 -8.084 1.00 24.24 H new ATOM 826 N HIS A 60 21.773 1.823 -11.427 1.00 60.32 N ATOM 827 CA HIS A 60 21.458 2.767 -12.453 1.00 23.32 C ATOM 828 C HIS A 60 19.936 2.817 -12.741 1.00 3.30 C ATOM 829 O HIS A 60 19.407 3.834 -13.227 1.00 71.41 O ATOM 830 CB HIS A 60 22.284 2.403 -13.681 1.00 70.43 C ATOM 831 CG HIS A 60 22.021 3.251 -14.902 1.00 55.55 C ATOM 832 ND1 HIS A 60 22.686 4.424 -15.198 1.00 15.30 N ATOM 833 CD2 HIS A 60 21.094 3.096 -15.876 1.00 1.30 C ATOM 834 CE1 HIS A 60 22.144 4.939 -16.306 1.00 23.30 C ATOM 835 NE2 HIS A 60 21.162 4.167 -16.758 1.00 61.40 N ATOM 0 H HIS A 60 22.395 1.076 -11.737 1.00 60.32 H new ATOM 0 HA HIS A 60 21.714 3.777 -12.134 1.00 23.32 H new ATOM 0 HB2 HIS A 60 23.341 2.479 -13.425 1.00 70.43 H new ATOM 0 HB3 HIS A 60 22.092 1.360 -13.933 1.00 70.43 H new ATOM 0 HD2 HIS A 60 20.407 2.267 -15.955 1.00 1.30 H new ATOM 0 HE1 HIS A 60 22.462 5.860 -16.772 1.00 23.30 H new ATOM 0 HE2 HIS A 60 20.580 4.327 -17.580 1.00 61.40 H new ATOM 843 N TRP A 61 19.253 1.752 -12.437 1.00 65.41 N ATOM 844 CA TRP A 61 17.830 1.669 -12.605 1.00 3.54 C ATOM 845 C TRP A 61 17.129 2.511 -11.518 1.00 31.15 C ATOM 846 O TRP A 61 16.490 3.522 -11.841 1.00 52.25 O ATOM 847 CB TRP A 61 17.421 0.198 -12.569 1.00 22.33 C ATOM 848 CG TRP A 61 15.974 -0.107 -12.816 1.00 13.10 C ATOM 849 CD1 TRP A 61 15.244 0.152 -13.941 1.00 31.44 C ATOM 850 CD2 TRP A 61 15.109 -0.809 -11.930 1.00 3.11 C ATOM 851 NE1 TRP A 61 13.968 -0.337 -13.791 1.00 2.25 N ATOM 852 CE2 TRP A 61 13.864 -0.938 -12.562 1.00 71.22 C ATOM 853 CE3 TRP A 61 15.275 -1.331 -10.662 1.00 43.23 C ATOM 854 CZ2 TRP A 61 12.785 -1.587 -11.956 1.00 42.11 C ATOM 855 CZ3 TRP A 61 14.216 -1.973 -10.058 1.00 65.23 C ATOM 856 CH2 TRP A 61 12.987 -2.101 -10.708 1.00 33.42 C ATOM 0 H TRP A 61 19.675 0.903 -12.060 1.00 65.41 H new ATOM 0 HA TRP A 61 17.523 2.079 -13.567 1.00 3.54 H new ATOM 0 HB2 TRP A 61 18.013 -0.337 -13.311 1.00 22.33 H new ATOM 0 HB3 TRP A 61 17.692 -0.206 -11.594 1.00 22.33 H new ATOM 0 HD1 TRP A 61 15.614 0.664 -14.817 1.00 31.44 H new ATOM 0 HE1 TRP A 61 13.220 -0.265 -14.481 1.00 2.25 H new ATOM 0 HE3 TRP A 61 16.222 -1.237 -10.151 1.00 43.23 H new ATOM 0 HZ2 TRP A 61 11.831 -1.678 -12.454 1.00 42.11 H new ATOM 0 HZ3 TRP A 61 14.338 -2.383 -9.067 1.00 65.23 H new ATOM 0 HH2 TRP A 61 12.179 -2.618 -10.212 1.00 33.42 H new ATOM 867 N PHE A 62 17.332 2.169 -10.239 1.00 74.21 N ATOM 868 CA PHE A 62 16.677 2.923 -9.160 1.00 70.40 C ATOM 869 C PHE A 62 17.285 4.303 -8.884 1.00 64.40 C ATOM 870 O PHE A 62 16.597 5.192 -8.388 1.00 62.42 O ATOM 871 CB PHE A 62 16.437 2.144 -7.844 1.00 20.32 C ATOM 872 CG PHE A 62 17.253 0.943 -7.644 1.00 75.32 C ATOM 873 CD1 PHE A 62 18.556 1.039 -7.244 1.00 55.43 C ATOM 874 CD2 PHE A 62 16.705 -0.295 -7.878 1.00 75.10 C ATOM 875 CE1 PHE A 62 19.312 -0.110 -7.080 1.00 72.22 C ATOM 876 CE2 PHE A 62 17.439 -1.432 -7.733 1.00 50.41 C ATOM 877 CZ PHE A 62 18.742 -1.346 -7.335 1.00 41.32 C ATOM 0 H PHE A 62 17.926 1.399 -9.931 1.00 74.21 H new ATOM 0 HA PHE A 62 15.688 3.090 -9.587 1.00 70.40 H new ATOM 0 HB2 PHE A 62 16.614 2.821 -7.008 1.00 20.32 H new ATOM 0 HB3 PHE A 62 15.387 1.855 -7.804 1.00 20.32 H new ATOM 0 HD1 PHE A 62 18.995 2.008 -7.056 1.00 55.43 H new ATOM 0 HD2 PHE A 62 15.671 -0.367 -8.183 1.00 75.10 H new ATOM 0 HE1 PHE A 62 20.340 -0.042 -6.755 1.00 72.22 H new ATOM 0 HE2 PHE A 62 16.994 -2.396 -7.931 1.00 50.41 H new ATOM 0 HZ PHE A 62 19.330 -2.244 -7.219 1.00 41.32 H new ATOM 887 N ARG A 63 18.567 4.501 -9.204 1.00 11.43 N ATOM 888 CA ARG A 63 19.213 5.821 -9.012 1.00 12.31 C ATOM 889 C ARG A 63 18.526 6.907 -9.823 1.00 30.24 C ATOM 890 O ARG A 63 18.561 8.069 -9.452 1.00 43.12 O ATOM 891 CB ARG A 63 20.717 5.816 -9.345 1.00 74.23 C ATOM 892 CG ARG A 63 21.625 5.151 -8.308 1.00 33.13 C ATOM 893 CD ARG A 63 21.636 5.905 -6.979 1.00 33.35 C ATOM 894 NE ARG A 63 22.042 7.319 -7.133 1.00 14.22 N ATOM 895 CZ ARG A 63 22.959 7.959 -6.373 1.00 5.54 C ATOM 896 NH1 ARG A 63 23.664 7.293 -5.450 1.00 75.44 N ATOM 897 NH2 ARG A 63 23.180 9.268 -6.558 1.00 72.23 N ATOM 0 H ARG A 63 19.178 3.782 -9.592 1.00 11.43 H new ATOM 0 HA ARG A 63 19.106 6.038 -7.949 1.00 12.31 H new ATOM 0 HB2 ARG A 63 20.857 5.311 -10.301 1.00 74.23 H new ATOM 0 HB3 ARG A 63 21.044 6.847 -9.479 1.00 74.23 H new ATOM 0 HG2 ARG A 63 21.291 4.127 -8.140 1.00 33.13 H new ATOM 0 HG3 ARG A 63 22.641 5.095 -8.700 1.00 33.13 H new ATOM 0 HD2 ARG A 63 20.643 5.862 -6.533 1.00 33.35 H new ATOM 0 HD3 ARG A 63 22.317 5.408 -6.289 1.00 33.35 H new ATOM 0 HE ARG A 63 21.593 7.856 -7.875 1.00 14.22 H new ATOM 0 HH11 ARG A 63 23.512 6.294 -5.315 1.00 75.44 H new ATOM 0 HH12 ARG A 63 24.353 7.785 -4.882 1.00 75.44 H new ATOM 0 HH21 ARG A 63 22.657 9.778 -7.270 1.00 72.23 H new ATOM 0 HH22 ARG A 63 23.871 9.754 -5.987 1.00 72.23 H new ATOM 911 N LYS A 64 17.878 6.515 -10.912 1.00 23.14 N ATOM 912 CA LYS A 64 17.175 7.459 -11.759 1.00 41.34 C ATOM 913 C LYS A 64 15.817 7.830 -11.194 1.00 53.25 C ATOM 914 O LYS A 64 15.154 8.718 -11.692 1.00 4.30 O ATOM 915 CB LYS A 64 17.049 6.945 -13.172 1.00 64.21 C ATOM 916 CG LYS A 64 18.390 6.847 -13.867 1.00 21.14 C ATOM 917 CD LYS A 64 18.223 6.842 -15.358 1.00 41.31 C ATOM 918 CE LYS A 64 17.491 5.601 -15.868 1.00 53.51 C ATOM 919 NZ LYS A 64 18.262 4.358 -15.623 1.00 45.11 N ATOM 0 H LYS A 64 17.827 5.546 -11.227 1.00 23.14 H new ATOM 0 HA LYS A 64 17.776 8.368 -11.783 1.00 41.34 H new ATOM 0 HB2 LYS A 64 16.576 5.963 -13.159 1.00 64.21 H new ATOM 0 HB3 LYS A 64 16.395 7.606 -13.740 1.00 64.21 H new ATOM 0 HG2 LYS A 64 19.019 7.686 -13.571 1.00 21.14 H new ATOM 0 HG3 LYS A 64 18.902 5.938 -13.552 1.00 21.14 H new ATOM 0 HD2 LYS A 64 17.672 7.733 -15.660 1.00 41.31 H new ATOM 0 HD3 LYS A 64 19.204 6.899 -15.829 1.00 41.31 H new ATOM 0 HE2 LYS A 64 16.520 5.527 -15.379 1.00 53.51 H new ATOM 0 HE3 LYS A 64 17.303 5.705 -16.936 1.00 53.51 H new ATOM 0 HZ1 LYS A 64 17.729 3.542 -15.985 1.00 45.11 H new ATOM 0 HZ2 LYS A 64 19.179 4.416 -16.111 1.00 45.11 H new ATOM 0 HZ3 LYS A 64 18.420 4.243 -14.602 1.00 45.11 H new ATOM 933 N ASN A 65 15.409 7.125 -10.158 1.00 40.35 N ATOM 934 CA ASN A 65 14.151 7.402 -9.477 1.00 52.25 C ATOM 935 C ASN A 65 14.512 8.034 -8.103 1.00 40.11 C ATOM 936 O ASN A 65 13.710 8.120 -7.177 1.00 71.35 O ATOM 937 CB ASN A 65 13.344 6.082 -9.357 1.00 34.23 C ATOM 938 CG ASN A 65 11.837 6.229 -9.027 1.00 42.33 C ATOM 939 OD1 ASN A 65 11.393 7.139 -8.335 1.00 64.30 O ATOM 940 ND2 ASN A 65 11.037 5.314 -9.551 1.00 14.22 N ATOM 0 H ASN A 65 15.935 6.346 -9.762 1.00 40.35 H new ATOM 0 HA ASN A 65 13.516 8.101 -10.021 1.00 52.25 H new ATOM 0 HB2 ASN A 65 13.437 5.537 -10.296 1.00 34.23 H new ATOM 0 HB3 ASN A 65 13.806 5.467 -8.584 1.00 34.23 H new ATOM 0 HD21 ASN A 65 10.032 5.358 -9.382 1.00 14.22 H new ATOM 0 HD22 ASN A 65 11.425 4.565 -10.124 1.00 14.22 H new ATOM 947 N GLY A 66 15.781 8.460 -8.021 1.00 12.34 N ATOM 948 CA GLY A 66 16.304 9.223 -6.898 1.00 64.13 C ATOM 949 C GLY A 66 16.497 8.458 -5.603 1.00 4.15 C ATOM 950 O GLY A 66 16.228 9.005 -4.522 1.00 15.13 O ATOM 0 H GLY A 66 16.475 8.278 -8.746 1.00 12.34 H new ATOM 0 HA2 GLY A 66 17.263 9.650 -7.190 1.00 64.13 H new ATOM 0 HA3 GLY A 66 15.629 10.057 -6.706 1.00 64.13 H new ATOM 954 N TYR A 67 16.984 7.228 -5.658 1.00 13.14 N ATOM 955 CA TYR A 67 17.167 6.506 -4.429 1.00 65.21 C ATOM 956 C TYR A 67 18.542 6.650 -3.830 1.00 42.33 C ATOM 957 O TYR A 67 19.536 6.912 -4.525 1.00 40.03 O ATOM 958 CB TYR A 67 16.645 5.074 -4.509 1.00 61.22 C ATOM 959 CG TYR A 67 15.172 5.105 -4.809 1.00 64.13 C ATOM 960 CD1 TYR A 67 14.310 5.784 -3.971 1.00 64.11 C ATOM 961 CD2 TYR A 67 14.657 4.560 -5.954 1.00 2.04 C ATOM 962 CE1 TYR A 67 12.977 5.898 -4.268 1.00 30.34 C ATOM 963 CE2 TYR A 67 13.334 4.692 -6.261 1.00 23.30 C ATOM 964 CZ TYR A 67 12.499 5.355 -5.416 1.00 11.22 C ATOM 965 OH TYR A 67 11.177 5.530 -5.760 1.00 35.10 O ATOM 0 H TYR A 67 17.248 6.732 -6.509 1.00 13.14 H new ATOM 0 HA TYR A 67 16.528 6.996 -3.694 1.00 65.21 H new ATOM 0 HB2 TYR A 67 17.176 4.523 -5.285 1.00 61.22 H new ATOM 0 HB3 TYR A 67 16.827 4.554 -3.568 1.00 61.22 H new ATOM 0 HD1 TYR A 67 14.693 6.233 -3.066 1.00 64.11 H new ATOM 0 HD2 TYR A 67 15.307 4.018 -6.624 1.00 2.04 H new ATOM 0 HE1 TYR A 67 12.312 6.416 -3.593 1.00 30.34 H new ATOM 0 HE2 TYR A 67 12.949 4.269 -7.177 1.00 23.30 H new ATOM 0 HH TYR A 67 11.115 6.151 -6.515 1.00 35.10 H new ATOM 975 N ARG A 68 18.573 6.515 -2.536 1.00 12.23 N ATOM 976 CA ARG A 68 19.700 6.663 -1.723 1.00 54.44 C ATOM 977 C ARG A 68 20.487 5.365 -1.674 1.00 33.11 C ATOM 978 O ARG A 68 20.052 4.424 -1.043 1.00 41.44 O ATOM 979 CB ARG A 68 19.143 7.051 -0.352 1.00 22.25 C ATOM 980 CG ARG A 68 20.072 6.866 0.789 1.00 43.03 C ATOM 981 CD ARG A 68 19.686 5.609 1.585 1.00 63.41 C ATOM 982 NE ARG A 68 20.617 5.256 2.640 1.00 42.34 N ATOM 983 CZ ARG A 68 21.845 4.739 2.465 1.00 22.21 C ATOM 984 NH1 ARG A 68 22.360 4.593 1.246 1.00 43.24 N ATOM 985 NH2 ARG A 68 22.521 4.317 3.499 1.00 3.44 N ATOM 0 H ARG A 68 17.737 6.281 -2.001 1.00 12.23 H new ATOM 0 HA ARG A 68 20.395 7.417 -2.093 1.00 54.44 H new ATOM 0 HB2 ARG A 68 18.840 8.097 -0.385 1.00 22.25 H new ATOM 0 HB3 ARG A 68 18.244 6.464 -0.165 1.00 22.25 H new ATOM 0 HG2 ARG A 68 21.095 6.775 0.424 1.00 43.03 H new ATOM 0 HG3 ARG A 68 20.042 7.741 1.438 1.00 43.03 H new ATOM 0 HD2 ARG A 68 18.700 5.761 2.024 1.00 63.41 H new ATOM 0 HD3 ARG A 68 19.602 4.769 0.895 1.00 63.41 H new ATOM 0 HE ARG A 68 20.312 5.414 3.600 1.00 42.34 H new ATOM 0 HH11 ARG A 68 21.821 4.875 0.427 1.00 43.24 H new ATOM 0 HH12 ARG A 68 23.294 4.199 1.131 1.00 43.24 H new ATOM 0 HH21 ARG A 68 22.117 4.381 4.433 1.00 3.44 H new ATOM 0 HH22 ARG A 68 23.454 3.924 3.373 1.00 3.44 H new ATOM 999 N LEU A 69 21.596 5.286 -2.422 1.00 22.23 N ATOM 1000 CA LEU A 69 22.451 4.106 -2.390 1.00 23.33 C ATOM 1001 C LEU A 69 23.730 4.269 -3.148 1.00 24.23 C ATOM 1002 O LEU A 69 23.769 4.825 -4.267 1.00 25.12 O ATOM 1003 CB LEU A 69 21.693 2.810 -2.776 1.00 22.14 C ATOM 1004 CG LEU A 69 21.076 2.653 -4.181 1.00 44.12 C ATOM 1005 CD1 LEU A 69 20.270 1.406 -4.198 1.00 73.03 C ATOM 1006 CD2 LEU A 69 20.160 3.779 -4.582 1.00 24.22 C ATOM 0 H LEU A 69 21.915 6.023 -3.051 1.00 22.23 H new ATOM 0 HA LEU A 69 22.747 3.995 -1.347 1.00 23.33 H new ATOM 0 HB2 LEU A 69 22.383 1.979 -2.633 1.00 22.14 H new ATOM 0 HB3 LEU A 69 20.886 2.682 -2.054 1.00 22.14 H new ATOM 0 HG LEU A 69 21.909 2.642 -4.883 1.00 44.12 H new ATOM 0 HD11 LEU A 69 19.824 1.275 -5.184 1.00 73.03 H new ATOM 0 HD12 LEU A 69 20.913 0.554 -3.974 1.00 73.03 H new ATOM 0 HD13 LEU A 69 19.481 1.472 -3.448 1.00 73.03 H new ATOM 0 HD21 LEU A 69 19.769 3.591 -5.582 1.00 24.22 H new ATOM 0 HD22 LEU A 69 19.333 3.844 -3.875 1.00 24.22 H new ATOM 0 HD23 LEU A 69 20.714 4.717 -4.580 1.00 24.22 H new ATOM 1018 N THR A 70 24.765 3.831 -2.495 1.00 54.13 N ATOM 1019 CA THR A 70 26.089 3.775 -2.992 1.00 0.55 C ATOM 1020 C THR A 70 26.358 2.302 -3.238 1.00 55.03 C ATOM 1021 O THR A 70 25.865 1.469 -2.492 1.00 50.43 O ATOM 1022 CB THR A 70 27.055 4.290 -1.915 1.00 13.14 C ATOM 1023 OG1 THR A 70 26.468 5.430 -1.281 1.00 52.12 O ATOM 1024 CG2 THR A 70 28.390 4.695 -2.532 1.00 15.32 C ATOM 0 H THR A 70 24.691 3.483 -1.539 1.00 54.13 H new ATOM 0 HA THR A 70 26.219 4.377 -3.891 1.00 0.55 H new ATOM 0 HB THR A 70 27.235 3.495 -1.191 1.00 13.14 H new ATOM 0 HG1 THR A 70 25.788 5.134 -0.640 1.00 52.12 H new ATOM 0 HG21 THR A 70 29.058 5.056 -1.750 1.00 15.32 H new ATOM 0 HG22 THR A 70 28.840 3.833 -3.023 1.00 15.32 H new ATOM 0 HG23 THR A 70 28.227 5.486 -3.264 1.00 15.32 H new ATOM 1032 N LEU A 71 27.168 1.998 -4.225 1.00 4.51 N ATOM 1033 CA LEU A 71 27.351 0.624 -4.723 1.00 52.20 C ATOM 1034 C LEU A 71 27.672 -0.377 -3.631 1.00 64.30 C ATOM 1035 O LEU A 71 27.056 -1.426 -3.516 1.00 31.13 O ATOM 1036 CB LEU A 71 28.459 0.523 -5.779 1.00 21.51 C ATOM 1037 CG LEU A 71 28.361 1.429 -7.009 1.00 43.34 C ATOM 1038 CD1 LEU A 71 26.965 1.491 -7.505 1.00 73.33 C ATOM 1039 CD2 LEU A 71 28.861 2.792 -6.743 1.00 53.41 C ATOM 0 H LEU A 71 27.730 2.691 -4.719 1.00 4.51 H new ATOM 0 HA LEU A 71 26.385 0.378 -5.164 1.00 52.20 H new ATOM 0 HB2 LEU A 71 29.410 0.729 -5.287 1.00 21.51 H new ATOM 0 HB3 LEU A 71 28.497 -0.509 -6.126 1.00 21.51 H new ATOM 0 HG LEU A 71 28.997 0.988 -7.776 1.00 43.34 H new ATOM 0 HD11 LEU A 71 26.918 2.140 -8.379 1.00 73.33 H new ATOM 0 HD12 LEU A 71 26.631 0.490 -7.778 1.00 73.33 H new ATOM 0 HD13 LEU A 71 26.318 1.889 -6.723 1.00 73.33 H new ATOM 0 HD21 LEU A 71 28.770 3.396 -7.646 1.00 53.41 H new ATOM 0 HD22 LEU A 71 28.275 3.245 -5.943 1.00 53.41 H new ATOM 0 HD23 LEU A 71 29.908 2.743 -6.443 1.00 53.41 H new ATOM 1051 N ARG A 72 28.594 0.008 -2.805 1.00 11.32 N ATOM 1052 CA ARG A 72 29.168 -0.838 -1.771 1.00 25.24 C ATOM 1053 C ARG A 72 28.152 -1.213 -0.695 1.00 5.15 C ATOM 1054 O ARG A 72 28.298 -2.239 -0.047 1.00 33.03 O ATOM 1055 CB ARG A 72 30.374 -0.126 -1.169 1.00 42.13 C ATOM 1056 CG ARG A 72 31.220 -0.971 -0.238 1.00 42.50 C ATOM 1057 CD ARG A 72 32.473 -0.220 0.171 1.00 2.12 C ATOM 1058 NE ARG A 72 33.259 0.191 -1.011 1.00 54.21 N ATOM 1059 CZ ARG A 72 34.339 0.977 -1.001 1.00 54.43 C ATOM 1060 NH1 ARG A 72 34.839 1.433 0.155 1.00 31.13 N ATOM 1061 NH2 ARG A 72 34.918 1.303 -2.159 1.00 14.44 N ATOM 0 H ARG A 72 28.990 0.948 -2.821 1.00 11.32 H new ATOM 0 HA ARG A 72 29.483 -1.777 -2.225 1.00 25.24 H new ATOM 0 HB2 ARG A 72 31.005 0.236 -1.981 1.00 42.13 H new ATOM 0 HB3 ARG A 72 30.024 0.750 -0.623 1.00 42.13 H new ATOM 0 HG2 ARG A 72 30.642 -1.236 0.648 1.00 42.50 H new ATOM 0 HG3 ARG A 72 31.493 -1.904 -0.731 1.00 42.50 H new ATOM 0 HD2 ARG A 72 32.199 0.660 0.753 1.00 2.12 H new ATOM 0 HD3 ARG A 72 33.084 -0.851 0.816 1.00 2.12 H new ATOM 0 HE ARG A 72 32.948 -0.158 -1.918 1.00 54.21 H new ATOM 0 HH11 ARG A 72 34.395 1.181 1.038 1.00 31.13 H new ATOM 0 HH12 ARG A 72 35.664 2.033 0.153 1.00 31.13 H new ATOM 0 HH21 ARG A 72 34.535 0.953 -3.037 1.00 14.44 H new ATOM 0 HH22 ARG A 72 35.743 1.902 -2.166 1.00 14.44 H new ATOM 1075 N GLU A 73 27.105 -0.420 -0.551 1.00 74.51 N ATOM 1076 CA GLU A 73 26.091 -0.683 0.454 1.00 3.21 C ATOM 1077 C GLU A 73 25.285 -1.909 0.060 1.00 52.31 C ATOM 1078 O GLU A 73 24.918 -2.729 0.898 1.00 43.12 O ATOM 1079 CB GLU A 73 25.194 0.537 0.624 1.00 63.01 C ATOM 1080 CG GLU A 73 25.969 1.791 0.999 1.00 11.33 C ATOM 1081 CD GLU A 73 25.086 2.994 1.169 1.00 10.50 C ATOM 1082 OE1 GLU A 73 24.745 3.652 0.154 1.00 44.24 O ATOM 1083 OE2 GLU A 73 24.706 3.300 2.293 1.00 65.34 O ATOM 0 H GLU A 73 26.935 0.411 -1.117 1.00 74.51 H new ATOM 0 HA GLU A 73 26.571 -0.882 1.412 1.00 3.21 H new ATOM 0 HB2 GLU A 73 24.651 0.715 -0.304 1.00 63.01 H new ATOM 0 HB3 GLU A 73 24.450 0.331 1.394 1.00 63.01 H new ATOM 0 HG2 GLU A 73 26.513 1.612 1.926 1.00 11.33 H new ATOM 0 HG3 GLU A 73 26.712 1.997 0.228 1.00 11.33 H new ATOM 1090 N LEU A 74 25.111 -2.079 -1.243 1.00 43.24 N ATOM 1091 CA LEU A 74 24.355 -3.198 -1.775 1.00 75.34 C ATOM 1092 C LEU A 74 25.201 -4.457 -1.792 1.00 63.11 C ATOM 1093 O LEU A 74 24.697 -5.544 -2.001 1.00 0.43 O ATOM 1094 CB LEU A 74 23.828 -2.925 -3.190 1.00 13.45 C ATOM 1095 CG LEU A 74 22.958 -1.689 -3.388 1.00 64.23 C ATOM 1096 CD1 LEU A 74 23.799 -0.450 -3.658 1.00 60.22 C ATOM 1097 CD2 LEU A 74 21.934 -1.920 -4.473 1.00 22.31 C ATOM 0 H LEU A 74 25.487 -1.451 -1.953 1.00 43.24 H new ATOM 0 HA LEU A 74 23.499 -3.336 -1.115 1.00 75.34 H new ATOM 0 HB2 LEU A 74 24.685 -2.844 -3.859 1.00 13.45 H new ATOM 0 HB3 LEU A 74 23.255 -3.795 -3.510 1.00 13.45 H new ATOM 0 HG LEU A 74 22.418 -1.508 -2.459 1.00 64.23 H new ATOM 0 HD11 LEU A 74 23.145 0.411 -3.794 1.00 60.22 H new ATOM 0 HD12 LEU A 74 24.464 -0.271 -2.813 1.00 60.22 H new ATOM 0 HD13 LEU A 74 24.391 -0.602 -4.560 1.00 60.22 H new ATOM 0 HD21 LEU A 74 21.325 -1.024 -4.596 1.00 22.31 H new ATOM 0 HD22 LEU A 74 22.442 -2.145 -5.411 1.00 22.31 H new ATOM 0 HD23 LEU A 74 21.294 -2.758 -4.197 1.00 22.31 H new ATOM 1109 N TYR A 75 26.484 -4.289 -1.601 1.00 41.44 N ATOM 1110 CA TYR A 75 27.410 -5.405 -1.549 1.00 71.45 C ATOM 1111 C TYR A 75 27.635 -5.838 -0.144 1.00 1.52 C ATOM 1112 O TYR A 75 27.818 -7.020 0.124 1.00 31.40 O ATOM 1113 CB TYR A 75 28.734 -5.034 -2.182 1.00 54.23 C ATOM 1114 CG TYR A 75 28.666 -4.961 -3.657 1.00 13.41 C ATOM 1115 CD1 TYR A 75 28.459 -6.102 -4.409 1.00 52.04 C ATOM 1116 CD2 TYR A 75 28.793 -3.764 -4.300 1.00 63.00 C ATOM 1117 CE1 TYR A 75 28.390 -6.033 -5.783 1.00 22.33 C ATOM 1118 CE2 TYR A 75 28.719 -3.679 -5.659 1.00 2.12 C ATOM 1119 CZ TYR A 75 28.520 -4.813 -6.396 1.00 31.32 C ATOM 1120 OH TYR A 75 28.440 -4.721 -7.736 1.00 13.34 O ATOM 0 H TYR A 75 26.923 -3.377 -1.476 1.00 41.44 H new ATOM 0 HA TYR A 75 26.968 -6.229 -2.108 1.00 71.45 H new ATOM 0 HB2 TYR A 75 29.061 -4.071 -1.790 1.00 54.23 H new ATOM 0 HB3 TYR A 75 29.487 -5.768 -1.894 1.00 54.23 H new ATOM 0 HD1 TYR A 75 28.350 -7.056 -3.915 1.00 52.04 H new ATOM 0 HD2 TYR A 75 28.955 -2.867 -3.721 1.00 63.00 H new ATOM 0 HE1 TYR A 75 28.236 -6.927 -6.369 1.00 22.33 H new ATOM 0 HE2 TYR A 75 28.817 -2.722 -6.150 1.00 2.12 H new ATOM 0 HH TYR A 75 28.276 -5.609 -8.116 1.00 13.34 H new ATOM 1130 N ALA A 76 27.635 -4.881 0.755 1.00 60.12 N ATOM 1131 CA ALA A 76 27.830 -5.181 2.139 1.00 21.23 C ATOM 1132 C ALA A 76 26.593 -5.873 2.686 1.00 13.31 C ATOM 1133 O ALA A 76 26.684 -6.809 3.475 1.00 74.45 O ATOM 1134 CB ALA A 76 28.164 -3.929 2.933 1.00 4.41 C ATOM 0 H ALA A 76 27.502 -3.892 0.545 1.00 60.12 H new ATOM 0 HA ALA A 76 28.681 -5.854 2.239 1.00 21.23 H new ATOM 0 HB1 ALA A 76 28.306 -4.190 3.982 1.00 4.41 H new ATOM 0 HB2 ALA A 76 29.079 -3.484 2.542 1.00 4.41 H new ATOM 0 HB3 ALA A 76 27.346 -3.214 2.845 1.00 4.41 H new ATOM 1140 N ALA A 77 25.440 -5.410 2.248 1.00 74.23 N ATOM 1141 CA ALA A 77 24.199 -6.024 2.615 1.00 55.41 C ATOM 1142 C ALA A 77 23.357 -6.268 1.367 1.00 41.22 C ATOM 1143 O ALA A 77 22.486 -5.460 1.018 1.00 4.41 O ATOM 1144 CB ALA A 77 23.443 -5.183 3.639 1.00 71.14 C ATOM 0 H ALA A 77 25.346 -4.602 1.632 1.00 74.23 H new ATOM 0 HA ALA A 77 24.411 -6.983 3.087 1.00 55.41 H new ATOM 0 HB1 ALA A 77 22.506 -5.678 3.896 1.00 71.14 H new ATOM 0 HB2 ALA A 77 24.051 -5.069 4.537 1.00 71.14 H new ATOM 0 HB3 ALA A 77 23.231 -4.200 3.218 1.00 71.14 H new ATOM 1150 N PRO A 78 23.630 -7.351 0.629 1.00 50.33 N ATOM 1151 CA PRO A 78 22.884 -7.663 -0.556 1.00 23.31 C ATOM 1152 C PRO A 78 21.660 -8.459 -0.199 1.00 4.13 C ATOM 1153 O PRO A 78 21.677 -9.687 -0.206 1.00 63.34 O ATOM 1154 CB PRO A 78 23.853 -8.520 -1.390 1.00 72.23 C ATOM 1155 CG PRO A 78 25.023 -8.823 -0.488 1.00 75.34 C ATOM 1156 CD PRO A 78 24.667 -8.342 0.890 1.00 64.51 C ATOM 0 HA PRO A 78 22.542 -6.776 -1.089 1.00 23.31 H new ATOM 0 HB2 PRO A 78 23.371 -9.438 -1.726 1.00 72.23 H new ATOM 0 HB3 PRO A 78 24.177 -7.985 -2.283 1.00 72.23 H new ATOM 0 HG2 PRO A 78 25.233 -9.893 -0.478 1.00 75.34 H new ATOM 0 HG3 PRO A 78 25.923 -8.325 -0.847 1.00 75.34 H new ATOM 0 HD2 PRO A 78 24.302 -9.153 1.520 1.00 64.51 H new ATOM 0 HD3 PRO A 78 25.525 -7.904 1.400 1.00 64.51 H new ATOM 1164 N THR A 79 20.619 -7.755 0.121 1.00 1.41 N ATOM 1165 CA THR A 79 19.379 -8.328 0.553 1.00 74.43 C ATOM 1166 C THR A 79 18.303 -7.411 0.062 1.00 5.31 C ATOM 1167 O THR A 79 18.514 -6.194 0.045 1.00 32.31 O ATOM 1168 CB THR A 79 19.300 -8.372 2.119 1.00 40.51 C ATOM 1169 OG1 THR A 79 19.514 -7.061 2.647 1.00 31.32 O ATOM 1170 CG2 THR A 79 20.335 -9.301 2.726 1.00 74.24 C ATOM 0 H THR A 79 20.607 -6.736 0.088 1.00 1.41 H new ATOM 0 HA THR A 79 19.280 -9.345 0.172 1.00 74.43 H new ATOM 0 HB THR A 79 18.309 -8.746 2.376 1.00 40.51 H new ATOM 0 HG1 THR A 79 19.463 -7.090 3.625 1.00 31.32 H new ATOM 0 HG21 THR A 79 20.237 -9.295 3.812 1.00 74.24 H new ATOM 0 HG22 THR A 79 20.178 -10.313 2.353 1.00 74.24 H new ATOM 0 HG23 THR A 79 21.334 -8.963 2.450 1.00 74.24 H new ATOM 1178 N LEU A 80 17.183 -7.937 -0.345 1.00 14.33 N ATOM 1179 CA LEU A 80 16.104 -7.085 -0.794 1.00 72.21 C ATOM 1180 C LEU A 80 15.609 -6.217 0.321 1.00 3.30 C ATOM 1181 O LEU A 80 15.285 -5.063 0.113 1.00 61.41 O ATOM 1182 CB LEU A 80 14.994 -7.889 -1.372 1.00 44.31 C ATOM 1183 CG LEU A 80 15.344 -8.607 -2.656 1.00 54.32 C ATOM 1184 CD1 LEU A 80 14.164 -9.376 -3.179 1.00 32.10 C ATOM 1185 CD2 LEU A 80 15.855 -7.644 -3.728 1.00 55.02 C ATOM 0 H LEU A 80 16.988 -8.938 -0.378 1.00 14.33 H new ATOM 0 HA LEU A 80 16.494 -6.437 -1.579 1.00 72.21 H new ATOM 0 HB2 LEU A 80 14.673 -8.625 -0.635 1.00 44.31 H new ATOM 0 HB3 LEU A 80 14.144 -7.232 -1.558 1.00 44.31 H new ATOM 0 HG LEU A 80 16.148 -9.305 -2.420 1.00 54.32 H new ATOM 0 HD11 LEU A 80 14.441 -9.884 -4.103 1.00 32.10 H new ATOM 0 HD12 LEU A 80 13.853 -10.113 -2.439 1.00 32.10 H new ATOM 0 HD13 LEU A 80 13.340 -8.690 -3.375 1.00 32.10 H new ATOM 0 HD21 LEU A 80 16.095 -8.201 -4.633 1.00 55.02 H new ATOM 0 HD22 LEU A 80 15.085 -6.905 -3.950 1.00 55.02 H new ATOM 0 HD23 LEU A 80 16.750 -7.138 -3.366 1.00 55.02 H new ATOM 1197 N ALA A 81 15.584 -6.791 1.487 1.00 52.15 N ATOM 1198 CA ALA A 81 15.236 -6.100 2.729 1.00 41.24 C ATOM 1199 C ALA A 81 16.018 -4.785 2.896 1.00 23.33 C ATOM 1200 O ALA A 81 15.427 -3.725 3.122 1.00 54.33 O ATOM 1201 CB ALA A 81 15.481 -7.015 3.922 1.00 43.14 C ATOM 0 H ALA A 81 15.808 -7.777 1.622 1.00 52.15 H new ATOM 0 HA ALA A 81 14.177 -5.845 2.679 1.00 41.24 H new ATOM 0 HB1 ALA A 81 15.219 -6.492 4.842 1.00 43.14 H new ATOM 0 HB2 ALA A 81 14.867 -7.910 3.826 1.00 43.14 H new ATOM 0 HB3 ALA A 81 16.533 -7.299 3.953 1.00 43.14 H new ATOM 1207 N ALA A 82 17.342 -4.842 2.754 1.00 33.30 N ATOM 1208 CA ALA A 82 18.161 -3.644 2.894 1.00 2.30 C ATOM 1209 C ALA A 82 17.987 -2.728 1.698 1.00 13.23 C ATOM 1210 O ALA A 82 17.982 -1.509 1.840 1.00 32.34 O ATOM 1211 CB ALA A 82 19.628 -3.987 3.089 1.00 60.23 C ATOM 0 H ALA A 82 17.862 -5.694 2.545 1.00 33.30 H new ATOM 0 HA ALA A 82 17.820 -3.120 3.787 1.00 2.30 H new ATOM 0 HB1 ALA A 82 20.206 -3.068 3.189 1.00 60.23 H new ATOM 0 HB2 ALA A 82 19.744 -4.589 3.990 1.00 60.23 H new ATOM 0 HB3 ALA A 82 19.988 -4.550 2.228 1.00 60.23 H new ATOM 1217 N TRP A 83 17.806 -3.318 0.525 1.00 74.14 N ATOM 1218 CA TRP A 83 17.630 -2.536 -0.694 1.00 62.22 C ATOM 1219 C TRP A 83 16.298 -1.791 -0.656 1.00 11.34 C ATOM 1220 O TRP A 83 16.158 -0.709 -1.222 1.00 42.33 O ATOM 1221 CB TRP A 83 17.771 -3.404 -1.966 1.00 12.25 C ATOM 1222 CG TRP A 83 19.140 -4.049 -2.140 1.00 30.11 C ATOM 1223 CD1 TRP A 83 20.199 -4.008 -1.267 1.00 4.43 C ATOM 1224 CD2 TRP A 83 19.589 -4.830 -3.260 1.00 4.44 C ATOM 1225 NE1 TRP A 83 21.251 -4.733 -1.756 1.00 22.15 N ATOM 1226 CE2 TRP A 83 20.912 -5.238 -2.983 1.00 32.35 C ATOM 1227 CE3 TRP A 83 19.002 -5.228 -4.466 1.00 71.12 C ATOM 1228 CZ2 TRP A 83 21.650 -6.021 -3.866 1.00 63.32 C ATOM 1229 CZ3 TRP A 83 19.739 -6.002 -5.341 1.00 53.24 C ATOM 1230 CH2 TRP A 83 21.049 -6.391 -5.037 1.00 42.02 C ATOM 0 H TRP A 83 17.777 -4.329 0.390 1.00 74.14 H new ATOM 0 HA TRP A 83 18.431 -1.798 -0.740 1.00 62.22 H new ATOM 0 HB2 TRP A 83 17.014 -4.188 -1.942 1.00 12.25 H new ATOM 0 HB3 TRP A 83 17.561 -2.785 -2.838 1.00 12.25 H new ATOM 0 HD1 TRP A 83 20.201 -3.478 -0.326 1.00 4.43 H new ATOM 0 HE1 TRP A 83 22.144 -4.875 -1.283 1.00 22.15 H new ATOM 0 HE3 TRP A 83 17.991 -4.935 -4.708 1.00 71.12 H new ATOM 0 HZ2 TRP A 83 22.660 -6.325 -3.635 1.00 63.32 H new ATOM 0 HZ3 TRP A 83 19.297 -6.313 -6.276 1.00 53.24 H new ATOM 0 HH2 TRP A 83 21.597 -6.997 -5.743 1.00 42.02 H new ATOM 1241 N ASN A 84 15.329 -2.386 0.022 1.00 5.31 N ATOM 1242 CA ASN A 84 14.048 -1.753 0.288 1.00 30.22 C ATOM 1243 C ASN A 84 14.247 -0.507 1.141 1.00 40.45 C ATOM 1244 O ASN A 84 13.712 0.538 0.832 1.00 21.14 O ATOM 1245 CB ASN A 84 13.084 -2.735 0.985 1.00 32.12 C ATOM 1246 CG ASN A 84 11.746 -2.104 1.366 1.00 4.41 C ATOM 1247 OD1 ASN A 84 10.815 -2.066 0.570 1.00 54.13 O ATOM 1248 ND2 ASN A 84 11.625 -1.634 2.593 1.00 31.52 N ATOM 0 H ASN A 84 15.410 -3.328 0.405 1.00 5.31 H new ATOM 0 HA ASN A 84 13.604 -1.461 -0.664 1.00 30.22 H new ATOM 0 HB2 ASN A 84 12.902 -3.584 0.326 1.00 32.12 H new ATOM 0 HB3 ASN A 84 13.562 -3.126 1.883 1.00 32.12 H new ATOM 0 HD21 ASN A 84 10.741 -1.227 2.898 1.00 31.52 H new ATOM 0 HD22 ASN A 84 12.415 -1.678 3.236 1.00 31.52 H new ATOM 1255 N GLN A 85 15.063 -0.607 2.187 1.00 43.20 N ATOM 1256 CA GLN A 85 15.319 0.547 3.076 1.00 70.11 C ATOM 1257 C GLN A 85 15.943 1.704 2.296 1.00 44.22 C ATOM 1258 O GLN A 85 15.617 2.882 2.510 1.00 15.34 O ATOM 1259 CB GLN A 85 16.200 0.162 4.268 1.00 54.54 C ATOM 1260 CG GLN A 85 15.622 -0.951 5.136 1.00 20.54 C ATOM 1261 CD GLN A 85 14.184 -0.686 5.550 1.00 3.23 C ATOM 1262 OE1 GLN A 85 13.239 -1.102 4.862 1.00 42.21 O ATOM 1263 NE2 GLN A 85 14.001 0.023 6.623 1.00 11.55 N ATOM 0 H GLN A 85 15.558 -1.460 2.447 1.00 43.20 H new ATOM 0 HA GLN A 85 14.357 0.873 3.471 1.00 70.11 H new ATOM 0 HB2 GLN A 85 17.177 -0.150 3.898 1.00 54.54 H new ATOM 0 HB3 GLN A 85 16.361 1.045 4.887 1.00 54.54 H new ATOM 0 HG2 GLN A 85 15.671 -1.894 4.591 1.00 20.54 H new ATOM 0 HG3 GLN A 85 16.237 -1.067 6.028 1.00 20.54 H new ATOM 0 HE21 GLN A 85 14.803 0.347 7.163 1.00 11.55 H new ATOM 0 HE22 GLN A 85 13.055 0.255 6.926 1.00 11.55 H new ATOM 1272 N LEU A 86 16.773 1.346 1.327 1.00 24.14 N ATOM 1273 CA LEU A 86 17.425 2.301 0.444 1.00 52.24 C ATOM 1274 C LEU A 86 16.400 3.101 -0.376 1.00 21.53 C ATOM 1275 O LEU A 86 16.687 4.220 -0.847 1.00 63.25 O ATOM 1276 CB LEU A 86 18.368 1.560 -0.505 1.00 54.40 C ATOM 1277 CG LEU A 86 19.515 0.809 0.165 1.00 2.31 C ATOM 1278 CD1 LEU A 86 20.295 0.020 -0.852 1.00 71.04 C ATOM 1279 CD2 LEU A 86 20.446 1.774 0.849 1.00 30.51 C ATOM 0 H LEU A 86 17.015 0.375 1.130 1.00 24.14 H new ATOM 0 HA LEU A 86 17.987 3.001 1.061 1.00 52.24 H new ATOM 0 HB2 LEU A 86 17.783 0.849 -1.089 1.00 54.40 H new ATOM 0 HB3 LEU A 86 18.789 2.280 -1.207 1.00 54.40 H new ATOM 0 HG LEU A 86 19.086 0.130 0.901 1.00 2.31 H new ATOM 0 HD11 LEU A 86 21.109 -0.509 -0.356 1.00 71.04 H new ATOM 0 HD12 LEU A 86 19.636 -0.700 -1.337 1.00 71.04 H new ATOM 0 HD13 LEU A 86 20.706 0.697 -1.601 1.00 71.04 H new ATOM 0 HD21 LEU A 86 21.259 1.222 1.322 1.00 30.51 H new ATOM 0 HD22 LEU A 86 20.857 2.466 0.114 1.00 30.51 H new ATOM 0 HD23 LEU A 86 19.898 2.333 1.607 1.00 30.51 H new ATOM 1291 N MET A 87 15.194 2.547 -0.509 1.00 21.33 N ATOM 1292 CA MET A 87 14.178 3.128 -1.308 1.00 72.22 C ATOM 1293 C MET A 87 13.437 4.203 -0.543 1.00 71.44 C ATOM 1294 O MET A 87 13.373 5.353 -0.948 1.00 12.45 O ATOM 1295 CB MET A 87 13.175 2.085 -1.693 1.00 43.45 C ATOM 1296 CG MET A 87 13.593 1.075 -2.692 1.00 2.11 C ATOM 1297 SD MET A 87 12.213 -0.008 -3.047 1.00 2.20 S ATOM 1298 CE MET A 87 12.918 -0.994 -4.317 1.00 64.32 C ATOM 0 H MET A 87 14.919 1.678 -0.052 1.00 21.33 H new ATOM 0 HA MET A 87 14.657 3.557 -2.188 1.00 72.22 H new ATOM 0 HB2 MET A 87 12.872 1.559 -0.788 1.00 43.45 H new ATOM 0 HB3 MET A 87 12.291 2.593 -2.077 1.00 43.45 H new ATOM 0 HG2 MET A 87 13.929 1.567 -3.605 1.00 2.11 H new ATOM 0 HG3 MET A 87 14.436 0.497 -2.312 1.00 2.11 H new ATOM 0 HE1 MET A 87 12.159 -1.221 -5.065 1.00 64.32 H new ATOM 0 HE2 MET A 87 13.739 -0.451 -4.786 1.00 64.32 H new ATOM 0 HE3 MET A 87 13.295 -1.923 -3.889 1.00 64.32 H new ATOM 1308 N LEU A 88 12.868 3.810 0.573 1.00 54.41 N ATOM 1309 CA LEU A 88 11.980 4.659 1.327 1.00 25.13 C ATOM 1310 C LEU A 88 12.604 5.552 2.392 1.00 1.43 C ATOM 1311 O LEU A 88 12.155 6.709 2.538 1.00 15.23 O ATOM 1312 CB LEU A 88 10.745 3.893 1.887 1.00 72.32 C ATOM 1313 CG LEU A 88 10.878 2.385 2.253 1.00 24.03 C ATOM 1314 CD1 LEU A 88 10.824 1.480 1.041 1.00 32.00 C ATOM 1315 CD2 LEU A 88 12.077 2.085 3.145 1.00 13.51 C ATOM 0 H LEU A 88 13.010 2.887 0.984 1.00 54.41 H new ATOM 0 HA LEU A 88 11.649 5.364 0.564 1.00 25.13 H new ATOM 0 HB2 LEU A 88 10.414 4.418 2.783 1.00 72.32 H new ATOM 0 HB3 LEU A 88 9.945 3.981 1.152 1.00 72.32 H new ATOM 0 HG LEU A 88 9.996 2.155 2.850 1.00 24.03 H new ATOM 0 HD11 LEU A 88 10.922 0.442 1.358 1.00 32.00 H new ATOM 0 HD12 LEU A 88 9.872 1.615 0.528 1.00 32.00 H new ATOM 0 HD13 LEU A 88 11.640 1.731 0.363 1.00 32.00 H new ATOM 0 HD21 LEU A 88 12.111 1.017 3.362 1.00 13.51 H new ATOM 0 HD22 LEU A 88 12.993 2.381 2.634 1.00 13.51 H new ATOM 0 HD23 LEU A 88 11.985 2.642 4.077 1.00 13.51 H new