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 67 TYR OH : rot -27:sc= 0.22 USER MOD Set 1.2: A 87 MET CE :methyl 164:sc= -0.444 (180deg=-1.34) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -116:sc= 0.193 (180deg=-0.107) USER MOD Set 2.2: A 65 ASN : amide:sc= 2.11 K(o=2.3,f=-9.7!) USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.224 K(o=1.5,f=-5.1!) USER MOD Set 3.2: A 43 SER OG : rot -142:sc= 1.24 USER MOD Set 4.1: A 35 THR OG1 : rot -25:sc= 1.09 USER MOD Set 4.2: A 37 GLN :FLIP amide:sc= -0.0486 F(o=1.4!,f=2.7) USER MOD Set 4.3: A 38 GLN : amide:sc= 1.63 K(o=2.7,f=-3.7!) USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.105 F(o=-0.47,f=0.1) USER MOD Single : A 21 TYR OH : rot 6:sc= -0.474! USER MOD Single : A 22 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1) USER MOD Single : A 23 GLN :FLIP amide:sc= -3 F(o=-3.7!,f=-3) USER MOD Single : A 30 GLN : amide:sc= -0.111 K(o=-0.11,f=-3!) USER MOD Single : A 33 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.037) USER MOD Single : A 44 ASN : amide:sc= -0.78 K(o=-0.78,f=-9.1!) USER MOD Single : A 47 GLN : amide:sc= 0.487 K(o=0.49,f=-0.036) USER MOD Single : A 56 MET CE :methyl -119:sc= -2.14 (180deg=-2.83!) USER MOD Single : A 60 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 84 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.7!) USER MOD Single : A 85 GLN : amide:sc= -0.0569 K(o=-0.057,f=-0.57) USER MOD Single : A 89 SER OG : rot 83:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.245 -5.318 -1.153 1.00 72.20 N ATOM 52 CA HIS A 17 -4.671 -6.283 -0.071 1.00 0.22 C ATOM 53 C HIS A 17 -3.546 -7.261 0.237 1.00 41.42 C ATOM 54 O HIS A 17 -3.167 -7.491 1.379 1.00 11.11 O ATOM 55 CB HIS A 17 -5.937 -7.063 -0.489 1.00 4.52 C ATOM 56 CG HIS A 17 -7.257 -6.499 -0.017 1.00 11.02 C ATOM 57 ND1 HIS A 17 -8.031 -6.883 1.034 1.00 62.24 N flip ATOM 58 CD2 HIS A 17 -7.951 -5.483 -0.634 1.00 71.24 C flip ATOM 59 CE1 HIS A 17 -9.192 -6.116 1.061 1.00 15.34 C flip ATOM 60 NE2 HIS A 17 -9.084 -5.286 0.033 1.00 4.50 N flip ATOM 0 HA HIS A 17 -4.901 -5.703 0.823 1.00 0.22 H new ATOM 0 HB2 HIS A 17 -5.959 -7.121 -1.577 1.00 4.52 H new ATOM 0 HB3 HIS A 17 -5.848 -8.084 -0.117 1.00 4.52 H new ATOM 0 HD1 HIS A 17 -7.797 -7.620 1.700 1.00 62.24 H new ATOM 0 HD2 HIS A 17 -7.630 -4.939 -1.510 1.00 71.24 H new ATOM 0 HE1 HIS A 17 -10.006 -6.183 1.768 1.00 15.34 H new ATOM 68 N ALA A 18 -2.965 -7.750 -0.801 1.00 60.01 N ATOM 69 CA ALA A 18 -1.858 -8.655 -0.742 1.00 21.53 C ATOM 70 C ALA A 18 -0.584 -8.050 -0.082 1.00 4.41 C ATOM 71 O ALA A 18 0.397 -8.724 0.066 1.00 3.50 O ATOM 72 CB ALA A 18 -1.607 -9.323 -2.065 1.00 12.24 C ATOM 0 H ALA A 18 -3.254 -7.526 -1.753 1.00 60.01 H new ATOM 0 HA ALA A 18 -2.150 -9.450 -0.056 1.00 21.53 H new ATOM 0 HB1 ALA A 18 -0.758 -10.001 -1.975 1.00 12.24 H new ATOM 0 HB2 ALA A 18 -2.492 -9.886 -2.362 1.00 12.24 H new ATOM 0 HB3 ALA A 18 -1.389 -8.567 -2.819 1.00 12.24 H new ATOM 78 N ALA A 19 -0.527 -6.748 0.120 1.00 64.12 N ATOM 79 CA ALA A 19 0.617 -6.158 0.834 1.00 21.01 C ATOM 80 C ALA A 19 0.546 -6.460 2.328 1.00 24.12 C ATOM 81 O ALA A 19 1.562 -6.469 3.000 1.00 35.23 O ATOM 82 CB ALA A 19 0.738 -4.667 0.594 1.00 22.22 C ATOM 0 H ALA A 19 -1.235 -6.081 -0.187 1.00 64.12 H new ATOM 0 HA ALA A 19 1.515 -6.623 0.429 1.00 21.01 H new ATOM 0 HB1 ALA A 19 1.597 -4.279 1.142 1.00 22.22 H new ATOM 0 HB2 ALA A 19 0.872 -4.480 -0.471 1.00 22.22 H new ATOM 0 HB3 ALA A 19 -0.168 -4.168 0.939 1.00 22.22 H new ATOM 88 N ASP A 20 -0.653 -6.756 2.840 1.00 64.14 N ATOM 89 CA ASP A 20 -0.807 -7.124 4.269 1.00 51.14 C ATOM 90 C ASP A 20 -0.181 -8.503 4.491 1.00 14.30 C ATOM 91 O ASP A 20 0.274 -8.868 5.578 1.00 65.15 O ATOM 92 CB ASP A 20 -2.280 -7.093 4.683 1.00 1.32 C ATOM 93 CG ASP A 20 -2.498 -7.371 6.160 1.00 43.34 C ATOM 94 OD1 ASP A 20 -1.751 -6.802 7.002 1.00 43.14 O ATOM 95 OD2 ASP A 20 -3.455 -8.117 6.485 1.00 54.44 O ATOM 0 H ASP A 20 -1.522 -6.751 2.306 1.00 64.14 H new ATOM 0 HA ASP A 20 -0.291 -6.398 4.897 1.00 51.14 H new ATOM 0 HB2 ASP A 20 -2.698 -6.116 4.439 1.00 1.32 H new ATOM 0 HB3 ASP A 20 -2.830 -7.830 4.097 1.00 1.32 H new ATOM 100 N TYR A 21 -0.102 -9.224 3.388 1.00 13.10 N ATOM 101 CA TYR A 21 0.571 -10.521 3.274 1.00 43.54 C ATOM 102 C TYR A 21 2.023 -10.432 3.692 1.00 42.04 C ATOM 103 O TYR A 21 2.587 -11.413 4.165 1.00 44.23 O ATOM 104 CB TYR A 21 0.480 -10.956 1.820 1.00 34.25 C ATOM 105 CG TYR A 21 1.411 -12.038 1.329 1.00 13.22 C ATOM 106 CD1 TYR A 21 2.668 -11.729 0.760 1.00 21.25 C ATOM 107 CD2 TYR A 21 1.026 -13.340 1.352 1.00 43.55 C ATOM 108 CE1 TYR A 21 3.477 -12.715 0.256 1.00 14.33 C ATOM 109 CE2 TYR A 21 1.824 -14.313 0.833 1.00 14.31 C ATOM 110 CZ TYR A 21 3.044 -14.007 0.291 1.00 3.54 C ATOM 111 OH TYR A 21 3.805 -15.005 -0.255 1.00 14.00 O ATOM 0 H TYR A 21 -0.518 -8.917 2.509 1.00 13.10 H new ATOM 0 HA TYR A 21 0.088 -11.242 3.934 1.00 43.54 H new ATOM 0 HB2 TYR A 21 -0.541 -11.291 1.638 1.00 34.25 H new ATOM 0 HB3 TYR A 21 0.642 -10.074 1.200 1.00 34.25 H new ATOM 0 HD1 TYR A 21 2.996 -10.701 0.722 1.00 21.25 H new ATOM 0 HD2 TYR A 21 0.074 -13.607 1.788 1.00 43.55 H new ATOM 0 HE1 TYR A 21 4.442 -12.472 -0.162 1.00 14.33 H new ATOM 0 HE2 TYR A 21 1.491 -15.340 0.849 1.00 14.31 H new ATOM 0 HH TYR A 21 4.667 -14.639 -0.543 1.00 14.00 H new ATOM 121 N GLN A 22 2.622 -9.258 3.517 1.00 34.50 N ATOM 122 CA GLN A 22 4.020 -9.067 3.842 1.00 21.55 C ATOM 123 C GLN A 22 4.246 -9.343 5.313 1.00 52.22 C ATOM 124 O GLN A 22 5.158 -10.070 5.691 1.00 34.42 O ATOM 125 CB GLN A 22 4.472 -7.648 3.552 1.00 75.53 C ATOM 126 CG GLN A 22 5.962 -7.512 3.695 1.00 13.32 C ATOM 127 CD GLN A 22 6.688 -8.169 2.525 1.00 71.35 C ATOM 128 OE1 GLN A 22 6.198 -8.157 1.391 1.00 50.41 O ATOM 129 NE2 GLN A 22 7.764 -8.836 2.790 1.00 31.32 N ATOM 0 H GLN A 22 2.156 -8.428 3.151 1.00 34.50 H new ATOM 0 HA GLN A 22 4.595 -9.757 3.224 1.00 21.55 H new ATOM 0 HB2 GLN A 22 4.174 -7.368 2.542 1.00 75.53 H new ATOM 0 HB3 GLN A 22 3.974 -6.958 4.234 1.00 75.53 H new ATOM 0 HG2 GLN A 22 6.231 -6.457 3.748 1.00 13.32 H new ATOM 0 HG3 GLN A 22 6.284 -7.970 4.630 1.00 13.32 H new ATOM 0 HE21 GLN A 22 8.148 -8.829 3.735 1.00 31.32 H new ATOM 0 HE22 GLN A 22 8.228 -9.368 2.054 1.00 31.32 H new ATOM 138 N GLN A 23 3.374 -8.790 6.129 1.00 10.30 N ATOM 139 CA GLN A 23 3.479 -8.953 7.581 1.00 42.41 C ATOM 140 C GLN A 23 3.378 -10.440 7.956 1.00 3.41 C ATOM 141 O GLN A 23 4.099 -10.939 8.834 1.00 15.44 O ATOM 142 CB GLN A 23 2.390 -8.170 8.353 1.00 61.23 C ATOM 143 CG GLN A 23 2.455 -6.639 8.310 1.00 2.43 C ATOM 144 CD GLN A 23 2.279 -6.042 6.929 1.00 13.52 C ATOM 145 OE1 GLN A 23 1.057 -5.836 6.521 1.00 34.11 O flip ATOM 146 NE2 GLN A 23 3.243 -5.811 6.217 1.00 60.33 N flip ATOM 0 H GLN A 23 2.583 -8.223 5.822 1.00 10.30 H new ATOM 0 HA GLN A 23 4.450 -8.549 7.868 1.00 42.41 H new ATOM 0 HB2 GLN A 23 1.418 -8.476 7.967 1.00 61.23 H new ATOM 0 HB3 GLN A 23 2.430 -8.479 9.397 1.00 61.23 H new ATOM 0 HG2 GLN A 23 1.684 -6.237 8.967 1.00 2.43 H new ATOM 0 HG3 GLN A 23 3.416 -6.317 8.712 1.00 2.43 H new ATOM 0 HE21 GLN A 23 4.186 -5.982 6.565 1.00 60.33 H new ATOM 0 HE22 GLN A 23 3.105 -5.446 5.274 1.00 60.33 H new ATOM 155 N LEU A 24 2.465 -11.124 7.285 1.00 70.12 N ATOM 156 CA LEU A 24 2.264 -12.554 7.449 1.00 61.25 C ATOM 157 C LEU A 24 3.519 -13.313 7.084 1.00 13.44 C ATOM 158 O LEU A 24 3.985 -14.157 7.847 1.00 64.44 O ATOM 159 CB LEU A 24 1.121 -13.018 6.549 1.00 63.31 C ATOM 160 CG LEU A 24 0.928 -14.524 6.464 1.00 70.51 C ATOM 161 CD1 LEU A 24 0.382 -15.092 7.741 1.00 52.34 C ATOM 162 CD2 LEU A 24 0.074 -14.903 5.301 1.00 3.44 C ATOM 0 H LEU A 24 1.837 -10.697 6.604 1.00 70.12 H new ATOM 0 HA LEU A 24 2.020 -12.751 8.493 1.00 61.25 H new ATOM 0 HB2 LEU A 24 0.194 -12.570 6.907 1.00 63.31 H new ATOM 0 HB3 LEU A 24 1.294 -12.634 5.544 1.00 63.31 H new ATOM 0 HG LEU A 24 1.915 -14.960 6.309 1.00 70.51 H new ATOM 0 HD11 LEU A 24 0.260 -16.170 7.637 1.00 52.34 H new ATOM 0 HD12 LEU A 24 1.073 -14.883 8.557 1.00 52.34 H new ATOM 0 HD13 LEU A 24 -0.584 -14.636 7.958 1.00 52.34 H new ATOM 0 HD21 LEU A 24 -0.042 -15.986 5.272 1.00 3.44 H new ATOM 0 HD22 LEU A 24 -0.906 -14.436 5.401 1.00 3.44 H new ATOM 0 HD23 LEU A 24 0.545 -14.564 4.378 1.00 3.44 H new ATOM 174 N ARG A 25 4.056 -12.977 5.937 1.00 73.21 N ATOM 175 CA ARG A 25 5.214 -13.621 5.355 1.00 65.44 C ATOM 176 C ARG A 25 6.374 -13.601 6.353 1.00 11.02 C ATOM 177 O ARG A 25 6.864 -14.658 6.790 1.00 53.43 O ATOM 178 CB ARG A 25 5.604 -12.850 4.113 1.00 54.34 C ATOM 179 CG ARG A 25 6.283 -13.660 3.058 1.00 41.40 C ATOM 180 CD ARG A 25 6.941 -12.761 2.057 1.00 75.53 C ATOM 181 NE ARG A 25 8.148 -12.157 2.632 1.00 5.13 N ATOM 182 CZ ARG A 25 9.386 -12.415 2.201 1.00 62.34 C ATOM 183 NH1 ARG A 25 9.596 -13.318 1.229 1.00 71.33 N ATOM 184 NH2 ARG A 25 10.423 -11.847 2.799 1.00 12.44 N ATOM 0 H ARG A 25 3.687 -12.221 5.360 1.00 73.21 H new ATOM 0 HA ARG A 25 4.983 -14.657 5.105 1.00 65.44 H new ATOM 0 HB2 ARG A 25 4.708 -12.401 3.685 1.00 54.34 H new ATOM 0 HB3 ARG A 25 6.263 -12.032 4.403 1.00 54.34 H new ATOM 0 HG2 ARG A 25 7.026 -14.314 3.514 1.00 41.40 H new ATOM 0 HG3 ARG A 25 5.557 -14.302 2.559 1.00 41.40 H new ATOM 0 HD2 ARG A 25 7.200 -13.329 1.163 1.00 75.53 H new ATOM 0 HD3 ARG A 25 6.247 -11.980 1.748 1.00 75.53 H new ATOM 0 HE ARG A 25 8.035 -11.502 3.406 1.00 5.13 H new ATOM 0 HH11 ARG A 25 8.807 -13.813 0.814 1.00 71.33 H new ATOM 0 HH12 ARG A 25 10.545 -13.509 0.906 1.00 71.33 H new ATOM 0 HH21 ARG A 25 10.275 -11.215 3.586 1.00 12.44 H new ATOM 0 HH22 ARG A 25 11.370 -12.042 2.473 1.00 12.44 H new ATOM 198 N GLU A 26 6.753 -12.395 6.740 1.00 0.32 N ATOM 199 CA GLU A 26 7.807 -12.143 7.697 1.00 2.25 C ATOM 200 C GLU A 26 7.594 -12.856 9.033 1.00 63.34 C ATOM 201 O GLU A 26 8.538 -13.435 9.592 1.00 65.02 O ATOM 202 CB GLU A 26 7.955 -10.650 7.897 1.00 12.43 C ATOM 203 CG GLU A 26 9.086 -10.030 7.077 1.00 51.41 C ATOM 204 CD GLU A 26 9.107 -10.388 5.592 1.00 33.31 C ATOM 205 OE1 GLU A 26 8.049 -10.468 4.950 1.00 21.13 O ATOM 206 OE2 GLU A 26 10.203 -10.593 5.047 1.00 30.43 O ATOM 0 H GLU A 26 6.321 -11.542 6.384 1.00 0.32 H new ATOM 0 HA GLU A 26 8.728 -12.556 7.286 1.00 2.25 H new ATOM 0 HB2 GLU A 26 7.017 -10.162 7.633 1.00 12.43 H new ATOM 0 HB3 GLU A 26 8.132 -10.450 8.954 1.00 12.43 H new ATOM 0 HG2 GLU A 26 9.023 -8.946 7.169 1.00 51.41 H new ATOM 0 HG3 GLU A 26 10.036 -10.332 7.517 1.00 51.41 H new ATOM 213 N ARG A 27 6.360 -12.851 9.548 1.00 21.41 N ATOM 214 CA ARG A 27 6.107 -13.514 10.790 1.00 52.03 C ATOM 215 C ARG A 27 6.211 -15.020 10.675 1.00 31.51 C ATOM 216 O ARG A 27 6.781 -15.644 11.541 1.00 65.35 O ATOM 217 CB ARG A 27 4.795 -13.108 11.433 1.00 20.32 C ATOM 218 CG ARG A 27 4.492 -13.976 12.635 1.00 13.22 C ATOM 219 CD ARG A 27 3.417 -13.428 13.486 1.00 33.25 C ATOM 220 NE ARG A 27 2.806 -14.497 14.290 1.00 72.42 N ATOM 221 CZ ARG A 27 1.782 -14.390 15.125 1.00 2.42 C ATOM 222 NH1 ARG A 27 1.235 -13.198 15.398 1.00 14.43 N ATOM 223 NH2 ARG A 27 1.310 -15.494 15.681 1.00 3.24 N ATOM 0 H ARG A 27 5.551 -12.401 9.121 1.00 21.41 H new ATOM 0 HA ARG A 27 6.901 -13.176 11.456 1.00 52.03 H new ATOM 0 HB2 ARG A 27 4.843 -12.062 11.737 1.00 20.32 H new ATOM 0 HB3 ARG A 27 3.987 -13.192 10.706 1.00 20.32 H new ATOM 0 HG2 ARG A 27 4.207 -14.971 12.295 1.00 13.22 H new ATOM 0 HG3 ARG A 27 5.397 -14.090 13.231 1.00 13.22 H new ATOM 0 HD2 ARG A 27 3.821 -12.656 14.142 1.00 33.25 H new ATOM 0 HD3 ARG A 27 2.658 -12.953 12.864 1.00 33.25 H new ATOM 0 HE ARG A 27 3.217 -15.426 14.194 1.00 72.42 H new ATOM 0 HH11 ARG A 27 1.606 -12.354 14.961 1.00 14.43 H new ATOM 0 HH12 ARG A 27 0.447 -13.134 16.043 1.00 14.43 H new ATOM 0 HH21 ARG A 27 1.733 -16.396 15.463 1.00 3.24 H new ATOM 0 HH22 ARG A 27 0.523 -15.443 16.328 1.00 3.24 H new ATOM 237 N LEU A 28 5.718 -15.589 9.586 1.00 31.33 N ATOM 238 CA LEU A 28 5.706 -17.044 9.421 1.00 11.12 C ATOM 239 C LEU A 28 7.102 -17.586 9.426 1.00 42.42 C ATOM 240 O LEU A 28 7.384 -18.570 10.083 1.00 63.50 O ATOM 241 CB LEU A 28 4.981 -17.463 8.149 1.00 3.45 C ATOM 242 CG LEU A 28 3.476 -17.240 8.131 1.00 43.41 C ATOM 243 CD1 LEU A 28 2.925 -17.583 6.783 1.00 72.21 C ATOM 244 CD2 LEU A 28 2.794 -18.084 9.184 1.00 34.42 C ATOM 0 H LEU A 28 5.321 -15.072 8.802 1.00 31.33 H new ATOM 0 HA LEU A 28 5.160 -17.463 10.266 1.00 11.12 H new ATOM 0 HB2 LEU A 28 5.418 -16.921 7.311 1.00 3.45 H new ATOM 0 HB3 LEU A 28 5.173 -18.522 7.978 1.00 3.45 H new ATOM 0 HG LEU A 28 3.285 -16.189 8.348 1.00 43.41 H new ATOM 0 HD11 LEU A 28 1.847 -17.421 6.778 1.00 72.21 H new ATOM 0 HD12 LEU A 28 3.391 -16.950 6.028 1.00 72.21 H new ATOM 0 HD13 LEU A 28 3.135 -18.629 6.559 1.00 72.21 H new ATOM 0 HD21 LEU A 28 1.719 -17.907 9.152 1.00 34.42 H new ATOM 0 HD22 LEU A 28 2.995 -19.138 8.992 1.00 34.42 H new ATOM 0 HD23 LEU A 28 3.176 -17.816 10.169 1.00 34.42 H new ATOM 256 N ILE A 29 7.963 -16.910 8.715 1.00 32.45 N ATOM 257 CA ILE A 29 9.370 -17.232 8.669 1.00 42.00 C ATOM 258 C ILE A 29 9.939 -17.335 10.101 1.00 61.54 C ATOM 259 O ILE A 29 10.426 -18.387 10.505 1.00 24.03 O ATOM 260 CB ILE A 29 10.098 -16.143 7.823 1.00 25.33 C ATOM 261 CG1 ILE A 29 9.743 -16.321 6.330 1.00 22.14 C ATOM 262 CG2 ILE A 29 11.587 -16.139 8.052 1.00 43.12 C ATOM 263 CD1 ILE A 29 10.384 -15.313 5.398 1.00 72.31 C ATOM 0 H ILE A 29 7.706 -16.107 8.141 1.00 32.45 H new ATOM 0 HA ILE A 29 9.528 -18.201 8.196 1.00 42.00 H new ATOM 0 HB ILE A 29 9.746 -15.165 8.151 1.00 25.33 H new ATOM 0 HG12 ILE A 29 10.039 -17.322 6.018 1.00 22.14 H new ATOM 0 HG13 ILE A 29 8.660 -16.260 6.219 1.00 22.14 H new ATOM 0 HG21 ILE A 29 12.047 -15.363 7.440 1.00 43.12 H new ATOM 0 HG22 ILE A 29 11.793 -15.941 9.104 1.00 43.12 H new ATOM 0 HG23 ILE A 29 12.000 -17.110 7.778 1.00 43.12 H new ATOM 0 HD11 ILE A 29 10.076 -15.518 4.373 1.00 72.31 H new ATOM 0 HD12 ILE A 29 10.069 -14.308 5.677 1.00 72.31 H new ATOM 0 HD13 ILE A 29 11.469 -15.387 5.473 1.00 72.31 H new ATOM 275 N GLN A 30 9.748 -16.296 10.880 1.00 21.12 N ATOM 276 CA GLN A 30 10.268 -16.254 12.235 1.00 63.35 C ATOM 277 C GLN A 30 9.526 -17.208 13.197 1.00 34.12 C ATOM 278 O GLN A 30 10.141 -17.838 14.047 1.00 72.22 O ATOM 279 CB GLN A 30 10.218 -14.830 12.765 1.00 42.44 C ATOM 280 CG GLN A 30 11.087 -13.856 11.988 1.00 22.24 C ATOM 281 CD GLN A 30 12.553 -14.249 11.982 1.00 0.02 C ATOM 282 OE1 GLN A 30 13.016 -14.956 11.110 1.00 73.04 O ATOM 283 NE2 GLN A 30 13.288 -13.792 12.961 1.00 40.14 N ATOM 0 H GLN A 30 9.233 -15.461 10.600 1.00 21.12 H new ATOM 0 HA GLN A 30 11.301 -16.598 12.190 1.00 63.35 H new ATOM 0 HB2 GLN A 30 9.186 -14.480 12.742 1.00 42.44 H new ATOM 0 HB3 GLN A 30 10.532 -14.829 13.809 1.00 42.44 H new ATOM 0 HG2 GLN A 30 10.728 -13.796 10.961 1.00 22.24 H new ATOM 0 HG3 GLN A 30 10.984 -12.861 12.420 1.00 22.24 H new ATOM 0 HE21 GLN A 30 12.870 -13.200 13.679 1.00 40.14 H new ATOM 0 HE22 GLN A 30 14.279 -14.027 13.007 1.00 40.14 H new ATOM 292 N GLU A 31 8.216 -17.319 13.034 1.00 2.20 N ATOM 293 CA GLU A 31 7.361 -18.127 13.914 1.00 14.52 C ATOM 294 C GLU A 31 7.644 -19.619 13.744 1.00 23.50 C ATOM 295 O GLU A 31 7.628 -20.380 14.706 1.00 55.14 O ATOM 296 CB GLU A 31 5.886 -17.840 13.619 1.00 51.50 C ATOM 297 CG GLU A 31 4.916 -18.524 14.563 1.00 73.10 C ATOM 298 CD GLU A 31 3.487 -18.311 14.166 1.00 72.23 C ATOM 299 OE1 GLU A 31 2.910 -17.255 14.522 1.00 52.54 O ATOM 300 OE2 GLU A 31 2.921 -19.199 13.498 1.00 64.45 O ATOM 0 H GLU A 31 7.706 -16.851 12.285 1.00 2.20 H new ATOM 0 HA GLU A 31 7.585 -17.854 14.945 1.00 14.52 H new ATOM 0 HB2 GLU A 31 5.721 -16.763 13.665 1.00 51.50 H new ATOM 0 HB3 GLU A 31 5.664 -18.153 12.599 1.00 51.50 H new ATOM 0 HG2 GLU A 31 5.128 -19.593 14.586 1.00 73.10 H new ATOM 0 HG3 GLU A 31 5.070 -18.146 15.574 1.00 73.10 H new ATOM 307 N LEU A 32 7.898 -20.026 12.520 1.00 34.54 N ATOM 308 CA LEU A 32 8.207 -21.412 12.223 1.00 74.21 C ATOM 309 C LEU A 32 9.676 -21.730 12.506 1.00 35.30 C ATOM 310 O LEU A 32 10.106 -22.866 12.308 1.00 45.24 O ATOM 311 CB LEU A 32 7.878 -21.754 10.759 1.00 55.43 C ATOM 312 CG LEU A 32 6.400 -22.019 10.364 1.00 51.11 C ATOM 313 CD1 LEU A 32 5.469 -20.844 10.619 1.00 41.13 C ATOM 314 CD2 LEU A 32 6.339 -22.431 8.919 1.00 61.41 C ATOM 0 H LEU A 32 7.897 -19.412 11.705 1.00 34.54 H new ATOM 0 HA LEU A 32 7.585 -22.024 12.877 1.00 74.21 H new ATOM 0 HB2 LEU A 32 8.243 -20.935 10.139 1.00 55.43 H new ATOM 0 HB3 LEU A 32 8.455 -22.639 10.490 1.00 55.43 H new ATOM 0 HG LEU A 32 6.042 -22.821 11.009 1.00 51.11 H new ATOM 0 HD11 LEU A 32 4.456 -21.110 10.317 1.00 41.13 H new ATOM 0 HD12 LEU A 32 5.478 -20.597 11.681 1.00 41.13 H new ATOM 0 HD13 LEU A 32 5.805 -19.982 10.043 1.00 41.13 H new ATOM 0 HD21 LEU A 32 5.303 -22.618 8.637 1.00 61.41 H new ATOM 0 HD22 LEU A 32 6.746 -21.635 8.296 1.00 61.41 H new ATOM 0 HD23 LEU A 32 6.924 -23.339 8.775 1.00 61.41 H new ATOM 326 N ASN A 33 10.431 -20.712 12.977 1.00 14.33 N ATOM 327 CA ASN A 33 11.881 -20.831 13.269 1.00 53.33 C ATOM 328 C ASN A 33 12.601 -21.175 11.954 1.00 70.04 C ATOM 329 O ASN A 33 13.568 -21.944 11.897 1.00 4.12 O ATOM 330 CB ASN A 33 12.127 -21.911 14.370 1.00 65.12 C ATOM 331 CG ASN A 33 13.542 -21.904 14.972 1.00 35.25 C ATOM 332 OD1 ASN A 33 13.808 -21.226 15.957 1.00 30.43 O ATOM 333 ND2 ASN A 33 14.444 -22.656 14.397 1.00 13.20 N ATOM 0 H ASN A 33 10.054 -19.783 13.166 1.00 14.33 H new ATOM 0 HA ASN A 33 12.276 -19.893 13.659 1.00 53.33 H new ATOM 0 HB2 ASN A 33 11.405 -21.763 15.173 1.00 65.12 H new ATOM 0 HB3 ASN A 33 11.933 -22.895 13.944 1.00 65.12 H new ATOM 0 HD21 ASN A 33 15.394 -22.687 14.768 1.00 13.20 H new ATOM 0 HD22 ASN A 33 14.198 -23.212 13.578 1.00 13.20 H new ATOM 340 N LEU A 34 12.132 -20.559 10.902 1.00 10.42 N ATOM 341 CA LEU A 34 12.618 -20.803 9.584 1.00 14.43 C ATOM 342 C LEU A 34 13.196 -19.543 8.981 1.00 22.43 C ATOM 343 O LEU A 34 13.123 -18.480 9.561 1.00 44.12 O ATOM 344 CB LEU A 34 11.487 -21.386 8.692 1.00 21.03 C ATOM 345 CG LEU A 34 11.081 -22.833 8.983 1.00 34.41 C ATOM 346 CD1 LEU A 34 10.045 -23.307 7.987 1.00 52.21 C ATOM 347 CD2 LEU A 34 12.295 -23.757 8.980 1.00 53.32 C ATOM 0 H LEU A 34 11.388 -19.862 10.945 1.00 10.42 H new ATOM 0 HA LEU A 34 13.420 -21.539 9.641 1.00 14.43 H new ATOM 0 HB2 LEU A 34 10.605 -20.754 8.798 1.00 21.03 H new ATOM 0 HB3 LEU A 34 11.803 -21.321 7.651 1.00 21.03 H new ATOM 0 HG LEU A 34 10.640 -22.864 9.979 1.00 34.41 H new ATOM 0 HD11 LEU A 34 9.770 -24.338 8.211 1.00 52.21 H new ATOM 0 HD12 LEU A 34 9.161 -22.673 8.052 1.00 52.21 H new ATOM 0 HD13 LEU A 34 10.457 -23.252 6.979 1.00 52.21 H new ATOM 0 HD21 LEU A 34 11.976 -24.778 9.190 1.00 53.32 H new ATOM 0 HD22 LEU A 34 12.777 -23.721 8.003 1.00 53.32 H new ATOM 0 HD23 LEU A 34 13.001 -23.433 9.745 1.00 53.32 H new ATOM 359 N THR A 35 13.817 -19.679 7.846 1.00 74.24 N ATOM 360 CA THR A 35 14.323 -18.551 7.124 1.00 63.40 C ATOM 361 C THR A 35 13.671 -18.625 5.747 1.00 51.04 C ATOM 362 O THR A 35 13.096 -19.681 5.415 1.00 65.30 O ATOM 363 CB THR A 35 15.898 -18.597 7.000 1.00 14.25 C ATOM 364 OG1 THR A 35 16.320 -19.677 6.152 1.00 40.03 O ATOM 365 CG2 THR A 35 16.540 -18.779 8.371 1.00 32.33 C ATOM 0 H THR A 35 13.987 -20.578 7.395 1.00 74.24 H new ATOM 0 HA THR A 35 14.091 -17.618 7.638 1.00 63.40 H new ATOM 0 HB THR A 35 16.215 -17.650 6.564 1.00 14.25 H new ATOM 0 HG1 THR A 35 15.636 -20.379 6.151 1.00 40.03 H new ATOM 0 HG21 THR A 35 17.624 -18.808 8.264 1.00 32.33 H new ATOM 0 HG22 THR A 35 16.261 -17.946 9.017 1.00 32.33 H new ATOM 0 HG23 THR A 35 16.194 -19.713 8.814 1.00 32.33 H new ATOM 373 N PRO A 36 13.731 -17.567 4.902 1.00 71.03 N ATOM 374 CA PRO A 36 13.145 -17.608 3.533 1.00 51.34 C ATOM 375 C PRO A 36 13.808 -18.671 2.622 1.00 0.22 C ATOM 376 O PRO A 36 13.432 -18.842 1.475 1.00 30.15 O ATOM 377 CB PRO A 36 13.403 -16.194 2.986 1.00 40.00 C ATOM 378 CG PRO A 36 14.491 -15.638 3.840 1.00 3.12 C ATOM 379 CD PRO A 36 14.295 -16.234 5.202 1.00 44.51 C ATOM 0 HA PRO A 36 12.091 -17.886 3.559 1.00 51.34 H new ATOM 0 HB2 PRO A 36 13.702 -16.225 1.938 1.00 40.00 H new ATOM 0 HB3 PRO A 36 12.505 -15.580 3.043 1.00 40.00 H new ATOM 0 HG2 PRO A 36 15.471 -15.895 3.439 1.00 3.12 H new ATOM 0 HG3 PRO A 36 14.438 -14.550 3.879 1.00 3.12 H new ATOM 0 HD2 PRO A 36 15.234 -16.307 5.750 1.00 44.51 H new ATOM 0 HD3 PRO A 36 13.617 -15.636 5.811 1.00 44.51 H new ATOM 387 N GLN A 37 14.803 -19.356 3.161 1.00 24.12 N ATOM 388 CA GLN A 37 15.505 -20.412 2.464 1.00 50.51 C ATOM 389 C GLN A 37 14.826 -21.761 2.715 1.00 34.31 C ATOM 390 O GLN A 37 15.142 -22.750 2.078 1.00 71.54 O ATOM 391 CB GLN A 37 16.955 -20.442 2.921 1.00 12.32 C ATOM 392 CG GLN A 37 17.722 -19.162 2.601 1.00 22.50 C ATOM 393 CD GLN A 37 19.079 -19.090 3.281 1.00 62.14 C ATOM 394 OE1 GLN A 37 19.171 -19.589 4.493 1.00 74.41 O flip ATOM 395 NE2 GLN A 37 20.015 -18.527 2.749 1.00 42.43 N flip ATOM 0 H GLN A 37 15.147 -19.190 4.107 1.00 24.12 H new ATOM 0 HA GLN A 37 15.477 -20.218 1.392 1.00 50.51 H new ATOM 0 HB2 GLN A 37 16.985 -20.614 3.997 1.00 12.32 H new ATOM 0 HB3 GLN A 37 17.459 -21.285 2.449 1.00 12.32 H new ATOM 0 HG2 GLN A 37 17.859 -19.089 1.522 1.00 22.50 H new ATOM 0 HG3 GLN A 37 17.125 -18.303 2.905 1.00 22.50 H new ATOM 0 HE21 GLN A 37 19.914 -18.149 1.807 1.00 42.43 H new ATOM 0 HE22 GLN A 37 20.901 -18.432 3.245 1.00 42.43 H new ATOM 404 N GLN A 38 13.933 -21.795 3.688 1.00 62.45 N ATOM 405 CA GLN A 38 13.124 -22.986 3.923 1.00 41.54 C ATOM 406 C GLN A 38 11.706 -22.630 3.651 1.00 52.33 C ATOM 407 O GLN A 38 10.938 -23.410 3.088 1.00 13.55 O ATOM 408 CB GLN A 38 13.198 -23.538 5.364 1.00 51.42 C ATOM 409 CG GLN A 38 14.547 -24.054 5.827 1.00 63.11 C ATOM 410 CD GLN A 38 15.511 -22.962 6.175 1.00 71.42 C ATOM 411 OE1 GLN A 38 15.111 -21.900 6.629 1.00 22.51 O ATOM 412 NE2 GLN A 38 16.776 -23.195 5.952 1.00 3.51 N ATOM 0 H GLN A 38 13.748 -21.021 4.325 1.00 62.45 H new ATOM 0 HA GLN A 38 13.515 -23.764 3.267 1.00 41.54 H new ATOM 0 HB2 GLN A 38 12.883 -22.749 6.047 1.00 51.42 H new ATOM 0 HB3 GLN A 38 12.474 -24.348 5.456 1.00 51.42 H new ATOM 0 HG2 GLN A 38 14.404 -24.694 6.698 1.00 63.11 H new ATOM 0 HG3 GLN A 38 14.980 -24.675 5.042 1.00 63.11 H new ATOM 0 HE21 GLN A 38 17.070 -24.095 5.572 1.00 3.51 H new ATOM 0 HE22 GLN A 38 17.471 -22.477 6.158 1.00 3.51 H new ATOM 421 N LEU A 39 11.352 -21.443 4.059 1.00 44.04 N ATOM 422 CA LEU A 39 10.042 -20.979 3.882 1.00 32.44 C ATOM 423 C LEU A 39 10.050 -19.927 2.796 1.00 42.24 C ATOM 424 O LEU A 39 10.260 -18.740 3.057 1.00 21.43 O ATOM 425 CB LEU A 39 9.484 -20.420 5.205 1.00 63.35 C ATOM 426 CG LEU A 39 7.958 -20.419 5.399 1.00 0.42 C ATOM 427 CD1 LEU A 39 7.619 -19.858 6.751 1.00 30.32 C ATOM 428 CD2 LEU A 39 7.250 -19.630 4.333 1.00 45.13 C ATOM 0 H LEU A 39 11.979 -20.784 4.522 1.00 44.04 H new ATOM 0 HA LEU A 39 9.390 -21.799 3.581 1.00 32.44 H new ATOM 0 HB2 LEU A 39 9.925 -20.992 6.022 1.00 63.35 H new ATOM 0 HB3 LEU A 39 9.835 -19.393 5.309 1.00 63.35 H new ATOM 0 HG LEU A 39 7.618 -21.452 5.325 1.00 0.42 H new ATOM 0 HD11 LEU A 39 6.537 -19.859 6.885 1.00 30.32 H new ATOM 0 HD12 LEU A 39 8.081 -20.471 7.525 1.00 30.32 H new ATOM 0 HD13 LEU A 39 7.993 -18.837 6.825 1.00 30.32 H new ATOM 0 HD21 LEU A 39 6.175 -19.659 4.513 1.00 45.13 H new ATOM 0 HD22 LEU A 39 7.594 -18.596 4.356 1.00 45.13 H new ATOM 0 HD23 LEU A 39 7.466 -20.062 3.356 1.00 45.13 H new ATOM 440 N HIS A 40 9.957 -20.392 1.597 1.00 34.41 N ATOM 441 CA HIS A 40 9.738 -19.552 0.463 1.00 41.44 C ATOM 442 C HIS A 40 8.245 -19.447 0.281 1.00 24.32 C ATOM 443 O HIS A 40 7.506 -20.205 0.917 1.00 62.32 O ATOM 444 CB HIS A 40 10.471 -20.047 -0.818 1.00 11.35 C ATOM 445 CG HIS A 40 10.169 -21.452 -1.288 1.00 11.04 C ATOM 446 ND1 HIS A 40 9.367 -21.750 -2.366 1.00 32.20 N ATOM 447 CD2 HIS A 40 10.646 -22.641 -0.844 1.00 43.42 C ATOM 448 CE1 HIS A 40 9.379 -23.073 -2.536 1.00 10.34 C ATOM 449 NE2 HIS A 40 10.142 -23.664 -1.639 1.00 21.20 N ATOM 0 H HIS A 40 10.032 -21.384 1.370 1.00 34.41 H new ATOM 0 HA HIS A 40 10.169 -18.567 0.639 1.00 41.44 H new ATOM 0 HB2 HIS A 40 10.232 -19.361 -1.630 1.00 11.35 H new ATOM 0 HB3 HIS A 40 11.544 -19.973 -0.643 1.00 11.35 H new ATOM 0 HD1 HIS A 40 8.853 -21.077 -2.935 1.00 32.20 H new ATOM 0 HD2 HIS A 40 11.313 -22.773 -0.005 1.00 43.42 H new ATOM 0 HE1 HIS A 40 8.833 -23.593 -3.310 1.00 10.34 H new ATOM 457 N GLU A 41 7.801 -18.513 -0.518 1.00 72.41 N ATOM 458 CA GLU A 41 6.377 -18.229 -0.709 1.00 45.34 C ATOM 459 C GLU A 41 5.546 -19.532 -0.962 1.00 13.12 C ATOM 460 O GLU A 41 4.452 -19.715 -0.406 1.00 63.12 O ATOM 461 CB GLU A 41 6.190 -17.264 -1.896 1.00 60.52 C ATOM 462 CG GLU A 41 7.191 -16.089 -1.967 1.00 33.43 C ATOM 463 CD GLU A 41 7.276 -15.241 -0.708 1.00 74.05 C ATOM 464 OE1 GLU A 41 6.320 -14.529 -0.393 1.00 5.33 O ATOM 465 OE2 GLU A 41 8.327 -15.269 -0.034 1.00 44.44 O ATOM 0 H GLU A 41 8.415 -17.912 -1.068 1.00 72.41 H new ATOM 0 HA GLU A 41 6.010 -17.771 0.209 1.00 45.34 H new ATOM 0 HB2 GLU A 41 6.263 -17.836 -2.821 1.00 60.52 H new ATOM 0 HB3 GLU A 41 5.180 -16.855 -1.853 1.00 60.52 H new ATOM 0 HG2 GLU A 41 8.181 -16.488 -2.186 1.00 33.43 H new ATOM 0 HG3 GLU A 41 6.915 -15.446 -2.802 1.00 33.43 H new ATOM 472 N GLU A 42 6.090 -20.432 -1.753 1.00 22.52 N ATOM 473 CA GLU A 42 5.413 -21.670 -2.146 1.00 43.10 C ATOM 474 C GLU A 42 5.508 -22.785 -1.081 1.00 50.32 C ATOM 475 O GLU A 42 4.897 -23.842 -1.257 1.00 72.35 O ATOM 476 CB GLU A 42 5.968 -22.219 -3.482 1.00 2.54 C ATOM 477 CG GLU A 42 5.920 -21.272 -4.694 1.00 72.11 C ATOM 478 CD GLU A 42 6.820 -20.058 -4.550 1.00 41.02 C ATOM 479 OE1 GLU A 42 7.875 -20.171 -3.858 1.00 53.24 O ATOM 480 OE2 GLU A 42 6.488 -19.010 -5.094 1.00 51.22 O ATOM 0 H GLU A 42 7.024 -20.333 -2.151 1.00 22.52 H new ATOM 0 HA GLU A 42 4.364 -21.395 -2.258 1.00 43.10 H new ATOM 0 HB2 GLU A 42 7.005 -22.515 -3.323 1.00 2.54 H new ATOM 0 HB3 GLU A 42 5.413 -23.123 -3.735 1.00 2.54 H new ATOM 0 HG2 GLU A 42 6.209 -21.824 -5.588 1.00 72.11 H new ATOM 0 HG3 GLU A 42 4.893 -20.938 -4.843 1.00 72.11 H new ATOM 487 N SER A 43 6.270 -22.579 -0.015 1.00 54.20 N ATOM 488 CA SER A 43 6.391 -23.601 1.024 1.00 72.40 C ATOM 489 C SER A 43 5.044 -23.900 1.707 1.00 13.43 C ATOM 490 O SER A 43 4.315 -22.980 2.117 1.00 24.52 O ATOM 491 CB SER A 43 7.422 -23.189 2.079 1.00 21.14 C ATOM 492 OG SER A 43 8.696 -22.982 1.496 1.00 34.13 O ATOM 0 H SER A 43 6.807 -21.729 0.155 1.00 54.20 H new ATOM 0 HA SER A 43 6.726 -24.512 0.527 1.00 72.40 H new ATOM 0 HB2 SER A 43 7.093 -22.276 2.575 1.00 21.14 H new ATOM 0 HB3 SER A 43 7.491 -23.961 2.845 1.00 21.14 H new ATOM 0 HG SER A 43 9.391 -23.315 2.102 1.00 34.13 H new ATOM 498 N ASN A 44 4.703 -25.190 1.784 1.00 52.14 N ATOM 499 CA ASN A 44 3.516 -25.636 2.506 1.00 14.52 C ATOM 500 C ASN A 44 3.771 -25.389 3.975 1.00 62.40 C ATOM 501 O ASN A 44 4.694 -25.954 4.544 1.00 60.01 O ATOM 502 CB ASN A 44 3.230 -27.140 2.243 1.00 14.25 C ATOM 503 CG ASN A 44 1.955 -27.674 2.928 1.00 73.52 C ATOM 504 OD1 ASN A 44 1.556 -27.232 4.003 1.00 2.30 O ATOM 505 ND2 ASN A 44 1.314 -28.632 2.305 1.00 2.44 N ATOM 0 H ASN A 44 5.237 -25.944 1.352 1.00 52.14 H new ATOM 0 HA ASN A 44 2.638 -25.087 2.167 1.00 14.52 H new ATOM 0 HB2 ASN A 44 3.144 -27.299 1.168 1.00 14.25 H new ATOM 0 HB3 ASN A 44 4.084 -27.725 2.585 1.00 14.25 H new ATOM 0 HD21 ASN A 44 0.466 -29.026 2.711 1.00 2.44 H new ATOM 0 HD22 ASN A 44 1.663 -28.984 1.414 1.00 2.44 H new ATOM 512 N LEU A 45 2.938 -24.587 4.587 1.00 24.23 N ATOM 513 CA LEU A 45 3.183 -24.123 5.933 1.00 54.40 C ATOM 514 C LEU A 45 2.980 -25.203 6.939 1.00 13.34 C ATOM 515 O LEU A 45 3.727 -25.301 7.897 1.00 1.31 O ATOM 516 CB LEU A 45 2.315 -22.933 6.251 1.00 64.34 C ATOM 517 CG LEU A 45 2.478 -21.737 5.332 1.00 45.30 C ATOM 518 CD1 LEU A 45 1.585 -20.621 5.793 1.00 64.31 C ATOM 519 CD2 LEU A 45 3.931 -21.275 5.292 1.00 63.20 C ATOM 0 H LEU A 45 2.075 -24.237 4.171 1.00 24.23 H new ATOM 0 HA LEU A 45 4.228 -23.819 5.987 1.00 54.40 H new ATOM 0 HB2 LEU A 45 1.272 -23.249 6.224 1.00 64.34 H new ATOM 0 HB3 LEU A 45 2.526 -22.615 7.272 1.00 64.34 H new ATOM 0 HG LEU A 45 2.192 -22.031 4.322 1.00 45.30 H new ATOM 0 HD11 LEU A 45 1.704 -19.763 5.131 1.00 64.31 H new ATOM 0 HD12 LEU A 45 0.547 -20.954 5.773 1.00 64.31 H new ATOM 0 HD13 LEU A 45 1.855 -20.335 6.810 1.00 64.31 H new ATOM 0 HD21 LEU A 45 4.022 -20.417 4.626 1.00 63.20 H new ATOM 0 HD22 LEU A 45 4.251 -20.992 6.295 1.00 63.20 H new ATOM 0 HD23 LEU A 45 4.561 -22.086 4.926 1.00 63.20 H new ATOM 531 N ILE A 46 2.001 -26.033 6.694 1.00 55.43 N ATOM 532 CA ILE A 46 1.693 -27.153 7.572 1.00 2.44 C ATOM 533 C ILE A 46 2.881 -28.076 7.651 1.00 72.52 C ATOM 534 O ILE A 46 3.303 -28.502 8.722 1.00 51.34 O ATOM 535 CB ILE A 46 0.467 -27.941 7.045 1.00 31.24 C ATOM 536 CG1 ILE A 46 -0.802 -27.084 7.183 1.00 20.14 C ATOM 537 CG2 ILE A 46 0.337 -29.325 7.701 1.00 32.54 C ATOM 538 CD1 ILE A 46 -2.088 -27.783 6.772 1.00 30.11 C ATOM 0 H ILE A 46 1.388 -25.960 5.882 1.00 55.43 H new ATOM 0 HA ILE A 46 1.461 -26.762 8.562 1.00 2.44 H new ATOM 0 HB ILE A 46 0.614 -28.146 5.985 1.00 31.24 H new ATOM 0 HG12 ILE A 46 -0.895 -26.761 8.220 1.00 20.14 H new ATOM 0 HG13 ILE A 46 -0.684 -26.185 6.579 1.00 20.14 H new ATOM 0 HG21 ILE A 46 -0.537 -29.838 7.299 1.00 32.54 H new ATOM 0 HG22 ILE A 46 1.231 -29.912 7.491 1.00 32.54 H new ATOM 0 HG23 ILE A 46 0.224 -29.208 8.779 1.00 32.54 H new ATOM 0 HD11 ILE A 46 -2.930 -27.103 6.903 1.00 30.11 H new ATOM 0 HD12 ILE A 46 -2.022 -28.081 5.726 1.00 30.11 H new ATOM 0 HD13 ILE A 46 -2.236 -28.667 7.392 1.00 30.11 H new ATOM 550 N GLN A 47 3.449 -28.303 6.510 1.00 33.42 N ATOM 551 CA GLN A 47 4.532 -29.211 6.363 1.00 64.24 C ATOM 552 C GLN A 47 5.836 -28.565 6.858 1.00 21.32 C ATOM 553 O GLN A 47 6.747 -29.255 7.311 1.00 50.24 O ATOM 554 CB GLN A 47 4.580 -29.633 4.891 1.00 61.14 C ATOM 555 CG GLN A 47 5.451 -30.822 4.578 1.00 44.41 C ATOM 556 CD GLN A 47 6.852 -30.455 4.093 1.00 13.13 C ATOM 557 OE1 GLN A 47 7.075 -30.301 2.903 1.00 64.41 O ATOM 558 NE2 GLN A 47 7.781 -30.288 4.989 1.00 2.14 N ATOM 0 H GLN A 47 3.165 -27.852 5.640 1.00 33.42 H new ATOM 0 HA GLN A 47 4.398 -30.104 6.973 1.00 64.24 H new ATOM 0 HB2 GLN A 47 3.564 -29.854 4.563 1.00 61.14 H new ATOM 0 HB3 GLN A 47 4.929 -28.786 4.301 1.00 61.14 H new ATOM 0 HG2 GLN A 47 5.537 -31.441 5.471 1.00 44.41 H new ATOM 0 HG3 GLN A 47 4.961 -31.428 3.816 1.00 44.41 H new ATOM 0 HE21 GLN A 47 7.567 -30.423 5.977 1.00 2.14 H new ATOM 0 HE22 GLN A 47 8.723 -30.022 4.703 1.00 2.14 H new ATOM 567 N ALA A 48 5.895 -27.248 6.790 1.00 61.22 N ATOM 568 CA ALA A 48 7.057 -26.498 7.223 1.00 24.42 C ATOM 569 C ALA A 48 7.091 -26.360 8.747 1.00 53.03 C ATOM 570 O ALA A 48 8.144 -26.483 9.358 1.00 74.05 O ATOM 571 CB ALA A 48 7.088 -25.129 6.549 1.00 40.55 C ATOM 0 H ALA A 48 5.136 -26.668 6.432 1.00 61.22 H new ATOM 0 HA ALA A 48 7.948 -27.049 6.923 1.00 24.42 H new ATOM 0 HB1 ALA A 48 7.967 -24.578 6.885 1.00 40.55 H new ATOM 0 HB2 ALA A 48 7.131 -25.257 5.467 1.00 40.55 H new ATOM 0 HB3 ALA A 48 6.188 -24.573 6.813 1.00 40.55 H new ATOM 577 N GLY A 49 5.940 -26.099 9.350 1.00 24.45 N ATOM 578 CA GLY A 49 5.891 -25.992 10.794 1.00 44.12 C ATOM 579 C GLY A 49 4.777 -25.090 11.301 1.00 51.53 C ATOM 580 O GLY A 49 4.992 -24.277 12.203 1.00 73.52 O ATOM 0 H GLY A 49 5.049 -25.961 8.872 1.00 24.45 H new ATOM 0 HA2 GLY A 49 5.763 -26.987 11.219 1.00 44.12 H new ATOM 0 HA3 GLY A 49 6.847 -25.612 11.154 1.00 44.12 H new ATOM 584 N LEU A 50 3.603 -25.231 10.732 1.00 0.43 N ATOM 585 CA LEU A 50 2.414 -24.474 11.126 1.00 70.05 C ATOM 586 C LEU A 50 1.311 -25.477 11.335 1.00 74.04 C ATOM 587 O LEU A 50 0.969 -26.224 10.426 1.00 64.34 O ATOM 588 CB LEU A 50 2.007 -23.501 10.003 1.00 24.43 C ATOM 589 CG LEU A 50 0.907 -22.491 10.342 1.00 54.01 C ATOM 590 CD1 LEU A 50 1.425 -21.447 11.301 1.00 63.33 C ATOM 591 CD2 LEU A 50 0.362 -21.834 9.093 1.00 43.34 C ATOM 0 H LEU A 50 3.433 -25.884 9.967 1.00 0.43 H new ATOM 0 HA LEU A 50 2.608 -23.894 12.029 1.00 70.05 H new ATOM 0 HB2 LEU A 50 2.894 -22.949 9.692 1.00 24.43 H new ATOM 0 HB3 LEU A 50 1.679 -24.088 9.145 1.00 24.43 H new ATOM 0 HG LEU A 50 0.092 -23.033 10.821 1.00 54.01 H new ATOM 0 HD11 LEU A 50 0.630 -20.738 11.531 1.00 63.33 H new ATOM 0 HD12 LEU A 50 1.757 -21.930 12.220 1.00 63.33 H new ATOM 0 HD13 LEU A 50 2.262 -20.918 10.846 1.00 63.33 H new ATOM 0 HD21 LEU A 50 -0.417 -21.122 9.367 1.00 43.34 H new ATOM 0 HD22 LEU A 50 1.167 -21.310 8.577 1.00 43.34 H new ATOM 0 HD23 LEU A 50 -0.057 -22.595 8.435 1.00 43.34 H new ATOM 603 N ASP A 51 0.810 -25.515 12.526 1.00 52.54 N ATOM 604 CA ASP A 51 -0.251 -26.431 12.910 1.00 74.11 C ATOM 605 C ASP A 51 -1.603 -25.914 12.439 1.00 50.13 C ATOM 606 O ASP A 51 -1.693 -24.844 11.822 1.00 0.22 O ATOM 607 CB ASP A 51 -0.234 -26.646 14.430 1.00 60.11 C ATOM 608 CG ASP A 51 -0.089 -25.349 15.181 1.00 14.45 C ATOM 609 OD1 ASP A 51 -1.081 -24.644 15.372 1.00 53.12 O ATOM 610 OD2 ASP A 51 1.063 -24.992 15.533 1.00 5.34 O ATOM 0 H ASP A 51 1.121 -24.906 13.283 1.00 52.54 H new ATOM 0 HA ASP A 51 -0.080 -27.393 12.427 1.00 74.11 H new ATOM 0 HB2 ASP A 51 -1.155 -27.141 14.736 1.00 60.11 H new ATOM 0 HB3 ASP A 51 0.588 -27.311 14.693 1.00 60.11 H new ATOM 667 N ILE A 53 -3.971 -25.130 14.351 1.00 44.45 N ATOM 668 CA ILE A 53 -4.394 -24.210 15.333 1.00 2.42 C ATOM 669 C ILE A 53 -3.994 -22.866 14.859 1.00 64.15 C ATOM 670 O ILE A 53 -4.848 -22.001 14.663 1.00 74.23 O ATOM 671 CB ILE A 53 -3.794 -24.487 16.730 1.00 44.50 C ATOM 672 CG1 ILE A 53 -4.237 -25.870 17.249 1.00 22.14 C ATOM 673 CG2 ILE A 53 -4.162 -23.374 17.721 1.00 33.25 C ATOM 674 CD1 ILE A 53 -5.744 -26.062 17.352 1.00 13.24 C ATOM 0 HA ILE A 53 -5.473 -24.296 15.460 1.00 2.42 H new ATOM 0 HB ILE A 53 -2.708 -24.496 16.637 1.00 44.50 H new ATOM 0 HG12 ILE A 53 -3.832 -26.637 16.589 1.00 22.14 H new ATOM 0 HG13 ILE A 53 -3.796 -26.031 18.233 1.00 22.14 H new ATOM 0 HG21 ILE A 53 -3.726 -23.596 18.695 1.00 33.25 H new ATOM 0 HG22 ILE A 53 -3.775 -22.422 17.359 1.00 33.25 H new ATOM 0 HG23 ILE A 53 -5.246 -23.313 17.814 1.00 33.25 H new ATOM 0 HD11 ILE A 53 -5.959 -27.063 17.725 1.00 13.24 H new ATOM 0 HD12 ILE A 53 -6.159 -25.323 18.037 1.00 13.24 H new ATOM 0 HD13 ILE A 53 -6.195 -25.938 16.367 1.00 13.24 H new ATOM 686 N ARG A 54 -2.713 -22.705 14.594 1.00 30.12 N ATOM 687 CA ARG A 54 -2.203 -21.491 14.077 1.00 21.53 C ATOM 688 C ARG A 54 -2.793 -21.161 12.751 1.00 53.42 C ATOM 689 O ARG A 54 -3.084 -20.021 12.494 1.00 41.41 O ATOM 690 CB ARG A 54 -0.737 -21.524 14.019 1.00 33.41 C ATOM 691 CG ARG A 54 -0.146 -21.281 15.354 1.00 75.24 C ATOM 692 CD ARG A 54 1.307 -21.224 15.243 1.00 32.13 C ATOM 693 NE ARG A 54 1.889 -22.526 15.060 1.00 33.11 N ATOM 694 CZ ARG A 54 3.016 -22.775 14.438 1.00 63.40 C ATOM 695 NH1 ARG A 54 3.686 -21.801 13.803 1.00 33.01 N ATOM 696 NH2 ARG A 54 3.453 -24.017 14.416 1.00 21.01 N ATOM 0 H ARG A 54 -2.008 -23.428 14.739 1.00 30.12 H new ATOM 0 HA ARG A 54 -2.496 -20.694 14.760 1.00 21.53 H new ATOM 0 HB2 ARG A 54 -0.406 -22.492 13.642 1.00 33.41 H new ATOM 0 HB3 ARG A 54 -0.381 -20.770 13.317 1.00 33.41 H new ATOM 0 HG2 ARG A 54 -0.526 -20.346 15.766 1.00 75.24 H new ATOM 0 HG3 ARG A 54 -0.437 -22.075 16.042 1.00 75.24 H new ATOM 0 HD2 ARG A 54 1.581 -20.584 14.404 1.00 32.13 H new ATOM 0 HD3 ARG A 54 1.721 -20.766 16.141 1.00 32.13 H new ATOM 0 HE ARG A 54 1.383 -23.323 15.446 1.00 33.11 H new ATOM 0 HH11 ARG A 54 3.320 -20.849 13.799 1.00 33.01 H new ATOM 0 HH12 ARG A 54 4.561 -22.013 13.324 1.00 33.01 H new ATOM 0 HH21 ARG A 54 2.918 -24.754 14.875 1.00 21.01 H new ATOM 0 HH22 ARG A 54 4.327 -24.242 13.940 1.00 21.01 H new ATOM 710 N LEU A 55 -3.042 -22.183 11.942 1.00 4.22 N ATOM 711 CA LEU A 55 -3.680 -22.017 10.637 1.00 0.24 C ATOM 712 C LEU A 55 -5.032 -21.285 10.821 1.00 53.11 C ATOM 713 O LEU A 55 -5.318 -20.301 10.134 1.00 61.21 O ATOM 714 CB LEU A 55 -3.884 -23.417 9.991 1.00 2.42 C ATOM 715 CG LEU A 55 -4.098 -23.518 8.459 1.00 20.21 C ATOM 716 CD1 LEU A 55 -5.351 -22.819 7.984 1.00 42.02 C ATOM 717 CD2 LEU A 55 -2.894 -22.992 7.722 1.00 22.41 C ATOM 0 H LEU A 55 -2.809 -23.150 12.169 1.00 4.22 H new ATOM 0 HA LEU A 55 -3.052 -21.418 9.977 1.00 0.24 H new ATOM 0 HB2 LEU A 55 -3.014 -24.024 10.242 1.00 2.42 H new ATOM 0 HB3 LEU A 55 -4.745 -23.879 10.474 1.00 2.42 H new ATOM 0 HG LEU A 55 -4.229 -24.577 8.236 1.00 20.21 H new ATOM 0 HD11 LEU A 55 -5.441 -22.928 6.903 1.00 42.02 H new ATOM 0 HD12 LEU A 55 -6.221 -23.264 8.467 1.00 42.02 H new ATOM 0 HD13 LEU A 55 -5.296 -21.761 8.239 1.00 42.02 H new ATOM 0 HD21 LEU A 55 -3.062 -23.071 6.648 1.00 22.41 H new ATOM 0 HD22 LEU A 55 -2.732 -21.948 7.988 1.00 22.41 H new ATOM 0 HD23 LEU A 55 -2.016 -23.577 7.996 1.00 22.41 H new ATOM 729 N MET A 56 -5.838 -21.726 11.786 1.00 60.11 N ATOM 730 CA MET A 56 -7.125 -21.073 11.996 1.00 34.24 C ATOM 731 C MET A 56 -6.948 -19.755 12.715 1.00 61.10 C ATOM 732 O MET A 56 -7.701 -18.816 12.493 1.00 35.52 O ATOM 733 CB MET A 56 -8.104 -21.894 12.802 1.00 12.33 C ATOM 734 CG MET A 56 -9.520 -21.294 12.729 1.00 64.40 C ATOM 735 SD MET A 56 -10.532 -21.645 14.153 1.00 34.43 S ATOM 736 CE MET A 56 -9.609 -20.705 15.346 1.00 51.42 C ATOM 0 H MET A 56 -5.632 -22.504 12.413 1.00 60.11 H new ATOM 0 HA MET A 56 -7.532 -20.935 10.994 1.00 34.24 H new ATOM 0 HB2 MET A 56 -8.119 -22.918 12.428 1.00 12.33 H new ATOM 0 HB3 MET A 56 -7.777 -21.939 13.841 1.00 12.33 H new ATOM 0 HG2 MET A 56 -9.440 -20.213 12.611 1.00 64.40 H new ATOM 0 HG3 MET A 56 -10.019 -21.676 11.838 1.00 64.40 H new ATOM 0 HE1 MET A 56 -9.238 -21.371 16.125 1.00 51.42 H new ATOM 0 HE2 MET A 56 -8.767 -20.218 14.853 1.00 51.42 H new ATOM 0 HE3 MET A 56 -10.255 -19.949 15.792 1.00 51.42 H new ATOM 746 N ARG A 57 -5.972 -19.683 13.599 1.00 33.34 N ATOM 747 CA ARG A 57 -5.745 -18.452 14.319 1.00 51.23 C ATOM 748 C ARG A 57 -5.235 -17.363 13.359 1.00 74.14 C ATOM 749 O ARG A 57 -5.429 -16.176 13.588 1.00 61.43 O ATOM 750 CB ARG A 57 -4.834 -18.625 15.546 1.00 52.31 C ATOM 751 CG ARG A 57 -5.547 -19.060 16.837 1.00 50.22 C ATOM 752 CD ARG A 57 -6.219 -20.372 16.641 1.00 75.55 C ATOM 753 NE ARG A 57 -6.927 -20.894 17.824 1.00 53.12 N ATOM 754 CZ ARG A 57 -7.511 -22.119 17.883 1.00 72.12 C ATOM 755 NH1 ARG A 57 -7.449 -22.948 16.821 1.00 72.11 N ATOM 756 NH2 ARG A 57 -8.144 -22.509 18.996 1.00 54.34 N ATOM 0 H ARG A 57 -5.337 -20.447 13.831 1.00 33.34 H new ATOM 0 HA ARG A 57 -6.704 -18.130 14.725 1.00 51.23 H new ATOM 0 HB2 ARG A 57 -4.067 -19.362 15.308 1.00 52.31 H new ATOM 0 HB3 ARG A 57 -4.322 -17.681 15.734 1.00 52.31 H new ATOM 0 HG2 ARG A 57 -4.826 -19.131 17.652 1.00 50.22 H new ATOM 0 HG3 ARG A 57 -6.281 -18.308 17.126 1.00 50.22 H new ATOM 0 HD2 ARG A 57 -6.932 -20.279 15.822 1.00 75.55 H new ATOM 0 HD3 ARG A 57 -5.472 -21.103 16.332 1.00 75.55 H new ATOM 0 HE ARG A 57 -6.982 -20.298 18.650 1.00 53.12 H new ATOM 0 HH11 ARG A 57 -6.963 -22.655 15.973 1.00 72.11 H new ATOM 0 HH12 ARG A 57 -7.888 -23.868 16.866 1.00 72.11 H new ATOM 0 HH21 ARG A 57 -8.189 -21.886 19.802 1.00 54.34 H new ATOM 0 HH22 ARG A 57 -8.582 -23.429 19.038 1.00 54.34 H new ATOM 770 N TRP A 58 -4.589 -17.801 12.281 1.00 52.53 N ATOM 771 CA TRP A 58 -4.201 -16.931 11.188 1.00 54.44 C ATOM 772 C TRP A 58 -5.415 -16.450 10.441 1.00 71.44 C ATOM 773 O TRP A 58 -5.493 -15.293 10.060 1.00 73.41 O ATOM 774 CB TRP A 58 -3.211 -17.606 10.236 1.00 65.10 C ATOM 775 CG TRP A 58 -1.797 -17.470 10.677 1.00 25.13 C ATOM 776 CD1 TRP A 58 -0.919 -18.463 10.989 1.00 61.34 C ATOM 777 CD2 TRP A 58 -1.102 -16.239 10.856 1.00 1.42 C ATOM 778 NE1 TRP A 58 0.293 -17.912 11.359 1.00 32.31 N ATOM 779 CE2 TRP A 58 0.201 -16.543 11.272 1.00 0.10 C ATOM 780 CE3 TRP A 58 -1.468 -14.898 10.696 1.00 54.40 C ATOM 781 CZ2 TRP A 58 1.144 -15.549 11.525 1.00 62.45 C ATOM 782 CZ3 TRP A 58 -0.538 -13.922 10.947 1.00 51.34 C ATOM 783 CH2 TRP A 58 0.749 -14.248 11.352 1.00 41.15 C ATOM 0 H TRP A 58 -4.321 -18.776 12.146 1.00 52.53 H new ATOM 0 HA TRP A 58 -3.691 -16.071 11.623 1.00 54.44 H new ATOM 0 HB2 TRP A 58 -3.460 -18.664 10.152 1.00 65.10 H new ATOM 0 HB3 TRP A 58 -3.319 -17.173 9.241 1.00 65.10 H new ATOM 0 HD1 TRP A 58 -1.137 -19.520 10.953 1.00 61.34 H new ATOM 0 HE1 TRP A 58 1.120 -18.435 11.649 1.00 32.31 H new ATOM 0 HE3 TRP A 58 -2.467 -14.636 10.380 1.00 54.40 H new ATOM 0 HZ2 TRP A 58 2.146 -15.794 11.845 1.00 62.45 H new ATOM 0 HZ3 TRP A 58 -0.811 -12.884 10.828 1.00 51.34 H new ATOM 0 HH2 TRP A 58 1.459 -13.455 11.536 1.00 41.15 H new ATOM 794 N LEU A 59 -6.380 -17.336 10.249 1.00 44.35 N ATOM 795 CA LEU A 59 -7.643 -16.948 9.651 1.00 10.10 C ATOM 796 C LEU A 59 -8.354 -15.951 10.537 1.00 13.40 C ATOM 797 O LEU A 59 -9.069 -15.077 10.057 1.00 3.53 O ATOM 798 CB LEU A 59 -8.542 -18.137 9.404 1.00 65.13 C ATOM 799 CG LEU A 59 -9.938 -17.790 8.878 1.00 22.03 C ATOM 800 CD1 LEU A 59 -9.868 -16.979 7.594 1.00 44.14 C ATOM 801 CD2 LEU A 59 -10.686 -19.024 8.635 1.00 21.50 C ATOM 0 H LEU A 59 -6.311 -18.323 10.498 1.00 44.35 H new ATOM 0 HA LEU A 59 -7.418 -16.492 8.687 1.00 10.10 H new ATOM 0 HB2 LEU A 59 -8.055 -18.801 8.690 1.00 65.13 H new ATOM 0 HB3 LEU A 59 -8.648 -18.694 10.335 1.00 65.13 H new ATOM 0 HG LEU A 59 -10.442 -17.184 9.631 1.00 22.03 H new ATOM 0 HD11 LEU A 59 -10.878 -16.752 7.252 1.00 44.14 H new ATOM 0 HD12 LEU A 59 -9.330 -16.049 7.780 1.00 44.14 H new ATOM 0 HD13 LEU A 59 -9.346 -17.553 6.829 1.00 44.14 H new ATOM 0 HD21 LEU A 59 -11.680 -18.779 8.261 1.00 21.50 H new ATOM 0 HD22 LEU A 59 -10.159 -19.629 7.897 1.00 21.50 H new ATOM 0 HD23 LEU A 59 -10.777 -19.584 9.566 1.00 21.50 H new ATOM 813 N HIS A 60 -8.146 -16.077 11.832 1.00 0.11 N ATOM 814 CA HIS A 60 -8.715 -15.151 12.769 1.00 42.01 C ATOM 815 C HIS A 60 -8.158 -13.761 12.483 1.00 12.20 C ATOM 816 O HIS A 60 -8.887 -12.789 12.491 1.00 30.45 O ATOM 817 CB HIS A 60 -8.427 -15.572 14.216 1.00 15.21 C ATOM 818 CG HIS A 60 -9.215 -14.793 15.206 1.00 15.43 C ATOM 819 ND1 HIS A 60 -8.695 -14.136 16.297 1.00 64.42 N ATOM 820 CD2 HIS A 60 -10.534 -14.598 15.244 1.00 1.24 C ATOM 821 CE1 HIS A 60 -9.717 -13.572 16.953 1.00 61.23 C ATOM 822 NE2 HIS A 60 -10.862 -13.828 16.345 1.00 5.12 N ATOM 0 H HIS A 60 -7.584 -16.817 12.253 1.00 0.11 H new ATOM 0 HA HIS A 60 -9.799 -15.142 12.652 1.00 42.01 H new ATOM 0 HB2 HIS A 60 -8.650 -16.632 14.333 1.00 15.21 H new ATOM 0 HB3 HIS A 60 -7.364 -15.445 14.423 1.00 15.21 H new ATOM 0 HD2 HIS A 60 -11.240 -14.984 14.523 1.00 1.24 H new ATOM 0 HE1 HIS A 60 -9.619 -12.988 17.856 1.00 61.23 H new ATOM 0 HE2 HIS A 60 -11.793 -13.522 16.628 1.00 5.12 H new ATOM 830 N TRP A 61 -6.874 -13.711 12.183 1.00 13.11 N ATOM 831 CA TRP A 61 -6.196 -12.492 11.796 1.00 52.31 C ATOM 832 C TRP A 61 -6.767 -11.989 10.463 1.00 5.42 C ATOM 833 O TRP A 61 -7.203 -10.848 10.382 1.00 31.22 O ATOM 834 CB TRP A 61 -4.680 -12.760 11.717 1.00 22.24 C ATOM 835 CG TRP A 61 -3.830 -11.634 11.190 1.00 15.20 C ATOM 836 CD1 TRP A 61 -3.433 -10.511 11.858 1.00 72.12 C ATOM 837 CD2 TRP A 61 -3.232 -11.557 9.886 1.00 43.14 C ATOM 838 NE1 TRP A 61 -2.635 -9.741 11.046 1.00 60.34 N ATOM 839 CE2 TRP A 61 -2.499 -10.362 9.831 1.00 42.03 C ATOM 840 CE3 TRP A 61 -3.252 -12.386 8.759 1.00 34.01 C ATOM 841 CZ2 TRP A 61 -1.789 -9.973 8.699 1.00 44.54 C ATOM 842 CZ3 TRP A 61 -2.548 -11.998 7.636 1.00 3.20 C ATOM 843 CH2 TRP A 61 -1.826 -10.802 7.614 1.00 23.42 C ATOM 0 H TRP A 61 -6.265 -14.529 12.202 1.00 13.11 H new ATOM 0 HA TRP A 61 -6.359 -11.710 12.537 1.00 52.31 H new ATOM 0 HB2 TRP A 61 -4.326 -13.018 12.715 1.00 22.24 H new ATOM 0 HB3 TRP A 61 -4.520 -13.634 11.086 1.00 22.24 H new ATOM 0 HD1 TRP A 61 -3.706 -10.265 12.874 1.00 72.12 H new ATOM 0 HE1 TRP A 61 -2.212 -8.850 11.306 1.00 60.34 H new ATOM 0 HE3 TRP A 61 -3.808 -13.312 8.767 1.00 34.01 H new ATOM 0 HZ2 TRP A 61 -1.229 -9.050 8.679 1.00 44.54 H new ATOM 0 HZ3 TRP A 61 -2.556 -12.630 6.760 1.00 3.20 H new ATOM 0 HH2 TRP A 61 -1.286 -10.527 6.720 1.00 23.42 H new ATOM 854 N PHE A 62 -6.810 -12.875 9.457 1.00 32.43 N ATOM 855 CA PHE A 62 -7.363 -12.556 8.126 1.00 20.43 C ATOM 856 C PHE A 62 -8.778 -11.989 8.206 1.00 13.34 C ATOM 857 O PHE A 62 -9.043 -10.893 7.727 1.00 13.21 O ATOM 858 CB PHE A 62 -7.379 -13.787 7.201 1.00 35.23 C ATOM 859 CG PHE A 62 -6.058 -14.176 6.605 1.00 1.33 C ATOM 860 CD1 PHE A 62 -5.507 -13.421 5.592 1.00 4.13 C ATOM 861 CD2 PHE A 62 -5.389 -15.308 7.023 1.00 1.02 C ATOM 862 CE1 PHE A 62 -4.316 -13.788 5.015 1.00 54.33 C ATOM 863 CE2 PHE A 62 -4.195 -15.673 6.452 1.00 43.43 C ATOM 864 CZ PHE A 62 -3.661 -14.912 5.445 1.00 64.14 C ATOM 0 H PHE A 62 -6.464 -13.831 9.539 1.00 32.43 H new ATOM 0 HA PHE A 62 -6.700 -11.797 7.710 1.00 20.43 H new ATOM 0 HB2 PHE A 62 -7.765 -14.636 7.765 1.00 35.23 H new ATOM 0 HB3 PHE A 62 -8.081 -13.598 6.389 1.00 35.23 H new ATOM 0 HD1 PHE A 62 -6.017 -12.533 5.249 1.00 4.13 H new ATOM 0 HD2 PHE A 62 -5.810 -15.915 7.810 1.00 1.02 H new ATOM 0 HE1 PHE A 62 -3.895 -13.189 4.221 1.00 54.33 H new ATOM 0 HE2 PHE A 62 -3.678 -16.557 6.795 1.00 43.43 H new ATOM 0 HZ PHE A 62 -2.724 -15.198 4.990 1.00 64.14 H new ATOM 874 N ARG A 63 -9.670 -12.726 8.828 1.00 62.13 N ATOM 875 CA ARG A 63 -11.064 -12.342 8.940 1.00 74.03 C ATOM 876 C ARG A 63 -11.214 -11.007 9.649 1.00 23.11 C ATOM 877 O ARG A 63 -12.010 -10.160 9.261 1.00 5.20 O ATOM 878 CB ARG A 63 -11.802 -13.395 9.702 1.00 71.31 C ATOM 879 CG ARG A 63 -13.280 -13.157 9.724 1.00 10.15 C ATOM 880 CD ARG A 63 -13.965 -14.367 10.210 1.00 62.02 C ATOM 881 NE ARG A 63 -13.603 -14.701 11.603 1.00 40.15 N ATOM 882 CZ ARG A 63 -13.874 -15.867 12.212 1.00 35.41 C ATOM 883 NH1 ARG A 63 -14.540 -16.825 11.558 1.00 42.22 N ATOM 884 NH2 ARG A 63 -13.490 -16.071 13.480 1.00 60.21 N ATOM 0 H ARG A 63 -9.450 -13.616 9.275 1.00 62.13 H new ATOM 0 HA ARG A 63 -11.476 -12.241 7.936 1.00 74.03 H new ATOM 0 HB2 ARG A 63 -11.601 -14.369 9.257 1.00 71.31 H new ATOM 0 HB3 ARG A 63 -11.427 -13.428 10.725 1.00 71.31 H new ATOM 0 HG2 ARG A 63 -13.513 -12.310 10.369 1.00 10.15 H new ATOM 0 HG3 ARG A 63 -13.633 -12.903 8.725 1.00 10.15 H new ATOM 0 HD2 ARG A 63 -15.043 -14.222 10.143 1.00 62.02 H new ATOM 0 HD3 ARG A 63 -13.716 -15.207 9.562 1.00 62.02 H new ATOM 0 HE ARG A 63 -13.109 -13.991 12.144 1.00 40.15 H new ATOM 0 HH11 ARG A 63 -14.842 -16.670 10.596 1.00 42.22 H new ATOM 0 HH12 ARG A 63 -14.745 -17.710 12.021 1.00 42.22 H new ATOM 0 HH21 ARG A 63 -12.990 -15.339 13.986 1.00 60.21 H new ATOM 0 HH22 ARG A 63 -13.698 -16.958 13.939 1.00 60.21 H new ATOM 898 N LYS A 64 -10.381 -10.811 10.640 1.00 54.14 N ATOM 899 CA LYS A 64 -10.385 -9.623 11.468 1.00 64.14 C ATOM 900 C LYS A 64 -9.666 -8.454 10.742 1.00 64.52 C ATOM 901 O LYS A 64 -9.554 -7.342 11.273 1.00 42.51 O ATOM 902 CB LYS A 64 -9.635 -9.956 12.733 1.00 74.14 C ATOM 903 CG LYS A 64 -9.676 -8.914 13.818 1.00 62.23 C ATOM 904 CD LYS A 64 -8.477 -9.064 14.723 1.00 65.10 C ATOM 905 CE LYS A 64 -7.167 -8.875 13.921 1.00 65.43 C ATOM 906 NZ LYS A 64 -7.204 -7.656 13.039 1.00 32.23 N ATOM 0 H LYS A 64 -9.663 -11.486 10.903 1.00 54.14 H new ATOM 0 HA LYS A 64 -11.409 -9.316 11.681 1.00 64.14 H new ATOM 0 HB2 LYS A 64 -10.036 -10.887 13.135 1.00 74.14 H new ATOM 0 HB3 LYS A 64 -8.593 -10.143 12.475 1.00 74.14 H new ATOM 0 HG2 LYS A 64 -9.686 -7.917 13.376 1.00 62.23 H new ATOM 0 HG3 LYS A 64 -10.594 -9.016 14.397 1.00 62.23 H new ATOM 0 HD2 LYS A 64 -8.527 -8.330 15.528 1.00 65.10 H new ATOM 0 HD3 LYS A 64 -8.486 -10.049 15.189 1.00 65.10 H new ATOM 0 HE2 LYS A 64 -6.329 -8.794 14.613 1.00 65.43 H new ATOM 0 HE3 LYS A 64 -6.989 -9.758 13.308 1.00 65.43 H new ATOM 0 HZ1 LYS A 64 -7.147 -7.947 12.042 1.00 32.23 H new ATOM 0 HZ2 LYS A 64 -8.092 -7.139 13.198 1.00 32.23 H new ATOM 0 HZ3 LYS A 64 -6.399 -7.038 13.266 1.00 32.23 H new ATOM 920 N ASN A 65 -9.101 -8.745 9.600 1.00 71.23 N ATOM 921 CA ASN A 65 -8.466 -7.740 8.751 1.00 34.23 C ATOM 922 C ASN A 65 -9.351 -7.463 7.547 1.00 22.41 C ATOM 923 O ASN A 65 -9.008 -6.687 6.672 1.00 22.01 O ATOM 924 CB ASN A 65 -7.043 -8.174 8.302 1.00 53.22 C ATOM 925 CG ASN A 65 -5.945 -7.958 9.352 1.00 23.23 C ATOM 926 OD1 ASN A 65 -6.200 -7.929 10.580 1.00 54.55 O ATOM 927 ND2 ASN A 65 -4.719 -7.840 8.902 1.00 72.03 N ATOM 0 H ASN A 65 -9.062 -9.690 9.219 1.00 71.23 H new ATOM 0 HA ASN A 65 -8.348 -6.826 9.333 1.00 34.23 H new ATOM 0 HB2 ASN A 65 -7.068 -9.230 8.034 1.00 53.22 H new ATOM 0 HB3 ASN A 65 -6.778 -7.623 7.400 1.00 53.22 H new ATOM 0 HD21 ASN A 65 -3.945 -7.721 9.556 1.00 72.03 H new ATOM 0 HD22 ASN A 65 -4.539 -7.867 7.898 1.00 72.03 H new ATOM 934 N GLY A 66 -10.513 -8.110 7.520 1.00 5.40 N ATOM 935 CA GLY A 66 -11.464 -7.879 6.457 1.00 5.02 C ATOM 936 C GLY A 66 -11.410 -8.920 5.355 1.00 71.32 C ATOM 937 O GLY A 66 -12.007 -8.739 4.281 1.00 54.41 O ATOM 0 H GLY A 66 -10.810 -8.791 8.219 1.00 5.40 H new ATOM 0 HA2 GLY A 66 -12.469 -7.860 6.878 1.00 5.02 H new ATOM 0 HA3 GLY A 66 -11.281 -6.895 6.025 1.00 5.02 H new ATOM 941 N TYR A 67 -10.726 -10.008 5.589 1.00 50.05 N ATOM 942 CA TYR A 67 -10.624 -11.044 4.590 1.00 52.45 C ATOM 943 C TYR A 67 -11.776 -12.003 4.656 1.00 14.34 C ATOM 944 O TYR A 67 -11.941 -12.759 5.608 1.00 33.21 O ATOM 945 CB TYR A 67 -9.282 -11.752 4.634 1.00 21.25 C ATOM 946 CG TYR A 67 -8.166 -10.829 4.259 1.00 65.23 C ATOM 947 CD1 TYR A 67 -7.776 -10.700 2.948 1.00 52.21 C ATOM 948 CD2 TYR A 67 -7.537 -10.051 5.210 1.00 22.41 C ATOM 949 CE1 TYR A 67 -6.791 -9.824 2.593 1.00 43.50 C ATOM 950 CE2 TYR A 67 -6.546 -9.178 4.871 1.00 11.32 C ATOM 951 CZ TYR A 67 -6.176 -9.062 3.566 1.00 40.33 C ATOM 952 OH TYR A 67 -5.210 -8.175 3.228 1.00 44.03 O ATOM 0 H TYR A 67 -10.231 -10.202 6.460 1.00 50.05 H new ATOM 0 HA TYR A 67 -10.682 -10.552 3.619 1.00 52.45 H new ATOM 0 HB2 TYR A 67 -9.109 -12.146 5.635 1.00 21.25 H new ATOM 0 HB3 TYR A 67 -9.296 -12.604 3.954 1.00 21.25 H new ATOM 0 HD1 TYR A 67 -8.255 -11.300 2.188 1.00 52.21 H new ATOM 0 HD2 TYR A 67 -7.836 -10.136 6.244 1.00 22.41 H new ATOM 0 HE1 TYR A 67 -6.495 -9.728 1.559 1.00 43.50 H new ATOM 0 HE2 TYR A 67 -6.059 -8.584 5.631 1.00 11.32 H new ATOM 0 HH TYR A 67 -4.767 -8.471 2.406 1.00 44.03 H new ATOM 962 N ARG A 68 -12.579 -11.941 3.635 1.00 52.21 N ATOM 963 CA ARG A 68 -13.760 -12.746 3.513 1.00 74.13 C ATOM 964 C ARG A 68 -13.431 -14.077 2.833 1.00 23.24 C ATOM 965 O ARG A 68 -13.600 -14.225 1.618 1.00 24.42 O ATOM 966 CB ARG A 68 -14.827 -11.968 2.729 1.00 71.12 C ATOM 967 CG ARG A 68 -15.379 -10.742 3.460 1.00 4.02 C ATOM 968 CD ARG A 68 -15.374 -9.484 2.578 1.00 21.21 C ATOM 969 NE ARG A 68 -14.018 -8.889 2.442 1.00 41.24 N ATOM 970 CZ ARG A 68 -13.580 -8.122 1.417 1.00 51.21 C ATOM 971 NH1 ARG A 68 -14.353 -7.893 0.359 1.00 24.24 N ATOM 972 NH2 ARG A 68 -12.359 -7.572 1.471 1.00 75.15 N ATOM 0 H ARG A 68 -12.428 -11.314 2.845 1.00 52.21 H new ATOM 0 HA ARG A 68 -14.152 -12.972 4.505 1.00 74.13 H new ATOM 0 HB2 ARG A 68 -14.401 -11.648 1.778 1.00 71.12 H new ATOM 0 HB3 ARG A 68 -15.653 -12.640 2.498 1.00 71.12 H new ATOM 0 HG2 ARG A 68 -16.397 -10.947 3.790 1.00 4.02 H new ATOM 0 HG3 ARG A 68 -14.785 -10.558 4.355 1.00 4.02 H new ATOM 0 HD2 ARG A 68 -15.757 -9.736 1.589 1.00 21.21 H new ATOM 0 HD3 ARG A 68 -16.051 -8.743 3.003 1.00 21.21 H new ATOM 0 HE ARG A 68 -13.354 -9.077 3.193 1.00 41.24 H new ATOM 0 HH11 ARG A 68 -15.288 -8.297 0.314 1.00 24.24 H new ATOM 0 HH12 ARG A 68 -14.010 -7.313 -0.407 1.00 24.24 H new ATOM 0 HH21 ARG A 68 -11.763 -7.732 2.283 1.00 75.15 H new ATOM 0 HH22 ARG A 68 -12.026 -6.993 0.700 1.00 75.15 H new ATOM 986 N LEU A 69 -12.891 -14.993 3.597 1.00 31.43 N ATOM 987 CA LEU A 69 -12.525 -16.314 3.120 1.00 53.41 C ATOM 988 C LEU A 69 -12.629 -17.301 4.280 1.00 53.44 C ATOM 989 O LEU A 69 -12.608 -16.882 5.443 1.00 50.22 O ATOM 990 CB LEU A 69 -11.121 -16.285 2.419 1.00 64.43 C ATOM 991 CG LEU A 69 -9.911 -15.737 3.216 1.00 11.23 C ATOM 992 CD1 LEU A 69 -9.296 -16.799 4.095 1.00 32.42 C ATOM 993 CD2 LEU A 69 -8.858 -15.135 2.289 1.00 43.13 C ATOM 0 H LEU A 69 -12.688 -14.845 4.585 1.00 31.43 H new ATOM 0 HA LEU A 69 -13.216 -16.653 2.348 1.00 53.41 H new ATOM 0 HB2 LEU A 69 -10.882 -17.303 2.111 1.00 64.43 H new ATOM 0 HB3 LEU A 69 -11.216 -15.691 1.510 1.00 64.43 H new ATOM 0 HG LEU A 69 -10.289 -14.944 3.861 1.00 11.23 H new ATOM 0 HD11 LEU A 69 -8.450 -16.377 4.638 1.00 32.42 H new ATOM 0 HD12 LEU A 69 -10.040 -17.159 4.805 1.00 32.42 H new ATOM 0 HD13 LEU A 69 -8.953 -17.629 3.477 1.00 32.42 H new ATOM 0 HD21 LEU A 69 -8.023 -14.760 2.881 1.00 43.13 H new ATOM 0 HD22 LEU A 69 -8.500 -15.900 1.600 1.00 43.13 H new ATOM 0 HD23 LEU A 69 -9.298 -14.314 1.723 1.00 43.13 H new ATOM 1005 N THR A 70 -12.793 -18.568 3.984 1.00 14.30 N ATOM 1006 CA THR A 70 -13.009 -19.567 5.003 1.00 40.21 C ATOM 1007 C THR A 70 -11.712 -20.401 5.269 1.00 23.53 C ATOM 1008 O THR A 70 -10.749 -20.347 4.498 1.00 4.33 O ATOM 1009 CB THR A 70 -14.208 -20.457 4.565 1.00 43.35 C ATOM 1010 OG1 THR A 70 -15.325 -19.616 4.284 1.00 11.02 O ATOM 1011 CG2 THR A 70 -14.617 -21.472 5.615 1.00 62.21 C ATOM 0 H THR A 70 -12.781 -18.935 3.032 1.00 14.30 H new ATOM 0 HA THR A 70 -13.250 -19.088 5.952 1.00 40.21 H new ATOM 0 HB THR A 70 -13.888 -21.015 3.685 1.00 43.35 H new ATOM 0 HG1 THR A 70 -16.087 -20.166 4.005 1.00 11.02 H new ATOM 0 HG21 THR A 70 -15.458 -22.059 5.246 1.00 62.21 H new ATOM 0 HG22 THR A 70 -13.778 -22.134 5.827 1.00 62.21 H new ATOM 0 HG23 THR A 70 -14.910 -20.953 6.528 1.00 62.21 H new ATOM 1019 N LEU A 71 -11.713 -21.142 6.390 1.00 30.41 N ATOM 1020 CA LEU A 71 -10.581 -21.948 6.850 1.00 60.23 C ATOM 1021 C LEU A 71 -10.174 -22.978 5.834 1.00 15.41 C ATOM 1022 O LEU A 71 -9.003 -23.149 5.586 1.00 75.24 O ATOM 1023 CB LEU A 71 -10.945 -22.669 8.167 1.00 33.44 C ATOM 1024 CG LEU A 71 -9.826 -23.416 8.878 1.00 71.25 C ATOM 1025 CD1 LEU A 71 -8.708 -22.465 9.247 1.00 40.43 C ATOM 1026 CD2 LEU A 71 -10.361 -24.089 10.121 1.00 32.33 C ATOM 0 H LEU A 71 -12.520 -21.195 7.011 1.00 30.41 H new ATOM 0 HA LEU A 71 -9.745 -21.267 7.006 1.00 60.23 H new ATOM 0 HB2 LEU A 71 -11.350 -21.929 8.857 1.00 33.44 H new ATOM 0 HB3 LEU A 71 -11.745 -23.379 7.955 1.00 33.44 H new ATOM 0 HG LEU A 71 -9.431 -24.175 8.203 1.00 71.25 H new ATOM 0 HD11 LEU A 71 -7.915 -23.015 9.755 1.00 40.43 H new ATOM 0 HD12 LEU A 71 -8.309 -22.005 8.343 1.00 40.43 H new ATOM 0 HD13 LEU A 71 -9.093 -21.690 9.909 1.00 40.43 H new ATOM 0 HD21 LEU A 71 -9.553 -24.621 10.623 1.00 32.33 H new ATOM 0 HD22 LEU A 71 -10.773 -23.337 10.793 1.00 32.33 H new ATOM 0 HD23 LEU A 71 -11.144 -24.795 9.844 1.00 32.33 H new ATOM 1038 N ARG A 72 -11.170 -23.614 5.228 1.00 14.22 N ATOM 1039 CA ARG A 72 -10.986 -24.749 4.310 1.00 21.01 C ATOM 1040 C ARG A 72 -9.983 -24.391 3.220 1.00 41.03 C ATOM 1041 O ARG A 72 -9.083 -25.148 2.918 1.00 21.13 O ATOM 1042 CB ARG A 72 -12.279 -25.026 3.594 1.00 63.32 C ATOM 1043 CG ARG A 72 -13.497 -25.145 4.460 1.00 63.11 C ATOM 1044 CD ARG A 72 -14.721 -24.994 3.597 1.00 51.35 C ATOM 1045 NE ARG A 72 -14.734 -23.667 2.920 1.00 41.51 N ATOM 1046 CZ ARG A 72 -15.794 -23.028 2.406 1.00 25.53 C ATOM 1047 NH1 ARG A 72 -17.005 -23.598 2.421 1.00 22.42 N ATOM 1048 NH2 ARG A 72 -15.629 -21.809 1.875 1.00 73.44 N ATOM 0 H ARG A 72 -12.148 -23.356 5.358 1.00 14.22 H new ATOM 0 HA ARG A 72 -10.647 -25.602 4.899 1.00 21.01 H new ATOM 0 HB2 ARG A 72 -12.449 -24.229 2.870 1.00 63.32 H new ATOM 0 HB3 ARG A 72 -12.167 -25.951 3.029 1.00 63.32 H new ATOM 0 HG2 ARG A 72 -13.508 -26.111 4.965 1.00 63.11 H new ATOM 0 HG3 ARG A 72 -13.485 -24.379 5.236 1.00 63.11 H new ATOM 0 HD2 ARG A 72 -14.745 -25.788 2.850 1.00 51.35 H new ATOM 0 HD3 ARG A 72 -15.617 -25.104 4.208 1.00 51.35 H new ATOM 0 HE ARG A 72 -13.835 -23.191 2.839 1.00 41.51 H new ATOM 0 HH11 ARG A 72 -17.127 -24.526 2.826 1.00 22.42 H new ATOM 0 HH12 ARG A 72 -17.806 -23.104 2.028 1.00 22.42 H new ATOM 0 HH21 ARG A 72 -14.705 -21.378 1.865 1.00 73.44 H new ATOM 0 HH22 ARG A 72 -16.428 -21.312 1.481 1.00 73.44 H new ATOM 1062 N GLU A 73 -10.190 -23.220 2.645 1.00 34.32 N ATOM 1063 CA GLU A 73 -9.404 -22.690 1.560 1.00 24.44 C ATOM 1064 C GLU A 73 -7.925 -22.573 1.933 1.00 32.31 C ATOM 1065 O GLU A 73 -7.052 -23.044 1.194 1.00 34.21 O ATOM 1066 CB GLU A 73 -9.961 -21.321 1.091 1.00 14.00 C ATOM 1067 CG GLU A 73 -11.434 -21.335 0.615 1.00 50.53 C ATOM 1068 CD GLU A 73 -12.475 -21.240 1.716 1.00 42.43 C ATOM 1069 OE1 GLU A 73 -12.592 -22.159 2.553 1.00 41.23 O ATOM 1070 OE2 GLU A 73 -13.227 -20.250 1.750 1.00 41.42 O ATOM 0 H GLU A 73 -10.940 -22.593 2.936 1.00 34.32 H new ATOM 0 HA GLU A 73 -9.478 -23.395 0.732 1.00 24.44 H new ATOM 0 HB2 GLU A 73 -9.868 -20.609 1.911 1.00 14.00 H new ATOM 0 HB3 GLU A 73 -9.337 -20.953 0.277 1.00 14.00 H new ATOM 0 HG2 GLU A 73 -11.583 -20.505 -0.075 1.00 50.53 H new ATOM 0 HG3 GLU A 73 -11.608 -22.252 0.052 1.00 50.53 H new ATOM 1077 N LEU A 74 -7.646 -21.996 3.096 1.00 3.11 N ATOM 1078 CA LEU A 74 -6.260 -21.827 3.540 1.00 10.13 C ATOM 1079 C LEU A 74 -5.685 -23.157 3.958 1.00 51.14 C ATOM 1080 O LEU A 74 -4.494 -23.383 3.887 1.00 2.33 O ATOM 1081 CB LEU A 74 -6.146 -20.921 4.769 1.00 2.12 C ATOM 1082 CG LEU A 74 -6.698 -19.517 4.703 1.00 73.34 C ATOM 1083 CD1 LEU A 74 -6.242 -18.747 5.908 1.00 21.31 C ATOM 1084 CD2 LEU A 74 -6.267 -18.807 3.462 1.00 33.11 C ATOM 0 H LEU A 74 -8.348 -21.640 3.744 1.00 3.11 H new ATOM 0 HA LEU A 74 -5.728 -21.387 2.697 1.00 10.13 H new ATOM 0 HB2 LEU A 74 -6.639 -21.429 5.598 1.00 2.12 H new ATOM 0 HB3 LEU A 74 -5.089 -20.846 5.025 1.00 2.12 H new ATOM 0 HG LEU A 74 -7.786 -19.584 4.685 1.00 73.34 H new ATOM 0 HD11 LEU A 74 -6.639 -17.733 5.863 1.00 21.31 H new ATOM 0 HD12 LEU A 74 -6.603 -19.238 6.812 1.00 21.31 H new ATOM 0 HD13 LEU A 74 -5.153 -18.710 5.925 1.00 21.31 H new ATOM 0 HD21 LEU A 74 -6.686 -17.801 3.454 1.00 33.11 H new ATOM 0 HD22 LEU A 74 -5.179 -18.747 3.436 1.00 33.11 H new ATOM 0 HD23 LEU A 74 -6.621 -19.354 2.588 1.00 33.11 H new ATOM 1096 N TYR A 75 -6.558 -23.993 4.419 1.00 21.23 N ATOM 1097 CA TYR A 75 -6.239 -25.270 4.995 1.00 74.04 C ATOM 1098 C TYR A 75 -5.835 -26.261 3.898 1.00 1.15 C ATOM 1099 O TYR A 75 -4.906 -27.042 4.068 1.00 73.41 O ATOM 1100 CB TYR A 75 -7.503 -25.739 5.703 1.00 32.55 C ATOM 1101 CG TYR A 75 -7.371 -26.590 6.867 1.00 72.24 C ATOM 1102 CD1 TYR A 75 -6.223 -27.291 7.178 1.00 62.31 C ATOM 1103 CD2 TYR A 75 -8.430 -26.643 7.705 1.00 63.52 C ATOM 1104 CE1 TYR A 75 -6.168 -28.039 8.322 1.00 3.34 C ATOM 1105 CE2 TYR A 75 -8.409 -27.345 8.823 1.00 14.51 C ATOM 1106 CZ TYR A 75 -7.266 -28.066 9.156 1.00 50.51 C ATOM 1107 OH TYR A 75 -7.207 -28.784 10.310 1.00 51.31 O ATOM 0 H TYR A 75 -7.560 -23.801 4.406 1.00 21.23 H new ATOM 0 HA TYR A 75 -5.401 -25.200 5.688 1.00 74.04 H new ATOM 0 HB2 TYR A 75 -8.063 -24.853 6.003 1.00 32.55 H new ATOM 0 HB3 TYR A 75 -8.114 -26.270 4.973 1.00 32.55 H new ATOM 0 HD1 TYR A 75 -5.369 -27.249 6.518 1.00 62.31 H new ATOM 0 HD2 TYR A 75 -9.324 -26.092 7.452 1.00 63.52 H new ATOM 0 HE1 TYR A 75 -5.278 -28.600 8.568 1.00 3.34 H new ATOM 0 HE2 TYR A 75 -9.271 -27.360 9.473 1.00 14.51 H new ATOM 0 HH TYR A 75 -8.058 -28.703 10.789 1.00 51.31 H new ATOM 1117 N ALA A 76 -6.549 -26.213 2.783 1.00 64.55 N ATOM 1118 CA ALA A 76 -6.287 -27.090 1.655 1.00 2.34 C ATOM 1119 C ALA A 76 -5.016 -26.681 0.935 1.00 43.10 C ATOM 1120 O ALA A 76 -4.240 -27.527 0.487 1.00 60.01 O ATOM 1121 CB ALA A 76 -7.468 -27.091 0.693 1.00 11.03 C ATOM 0 H ALA A 76 -7.324 -25.566 2.636 1.00 64.55 H new ATOM 0 HA ALA A 76 -6.150 -28.102 2.037 1.00 2.34 H new ATOM 0 HB1 ALA A 76 -7.254 -27.753 -0.146 1.00 11.03 H new ATOM 0 HB2 ALA A 76 -8.360 -27.440 1.213 1.00 11.03 H new ATOM 0 HB3 ALA A 76 -7.636 -26.080 0.323 1.00 11.03 H new ATOM 1127 N ALA A 77 -4.796 -25.390 0.829 1.00 40.11 N ATOM 1128 CA ALA A 77 -3.602 -24.893 0.197 1.00 23.32 C ATOM 1129 C ALA A 77 -2.892 -23.906 1.110 1.00 75.53 C ATOM 1130 O ALA A 77 -3.033 -22.688 0.959 1.00 10.30 O ATOM 1131 CB ALA A 77 -3.908 -24.268 -1.162 1.00 62.21 C ATOM 0 H ALA A 77 -5.429 -24.668 1.173 1.00 40.11 H new ATOM 0 HA ALA A 77 -2.936 -25.737 0.020 1.00 23.32 H new ATOM 0 HB1 ALA A 77 -2.984 -23.903 -1.611 1.00 62.21 H new ATOM 0 HB2 ALA A 77 -4.357 -25.017 -1.814 1.00 62.21 H new ATOM 0 HB3 ALA A 77 -4.601 -23.437 -1.032 1.00 62.21 H new ATOM 1137 N PRO A 78 -2.147 -24.399 2.106 1.00 25.24 N ATOM 1138 CA PRO A 78 -1.465 -23.548 3.030 1.00 51.31 C ATOM 1139 C PRO A 78 -0.089 -23.198 2.529 1.00 4.43 C ATOM 1140 O PRO A 78 0.896 -23.889 2.816 1.00 14.13 O ATOM 1141 CB PRO A 78 -1.382 -24.386 4.308 1.00 72.35 C ATOM 1142 CG PRO A 78 -1.639 -25.809 3.886 1.00 63.41 C ATOM 1143 CD PRO A 78 -1.920 -25.810 2.407 1.00 20.42 C ATOM 0 HA PRO A 78 -1.977 -22.598 3.180 1.00 51.31 H new ATOM 0 HB2 PRO A 78 -0.403 -24.288 4.776 1.00 72.35 H new ATOM 0 HB3 PRO A 78 -2.119 -24.056 5.040 1.00 72.35 H new ATOM 0 HG2 PRO A 78 -0.776 -26.435 4.111 1.00 63.41 H new ATOM 0 HG3 PRO A 78 -2.485 -26.223 4.435 1.00 63.41 H new ATOM 0 HD2 PRO A 78 -1.081 -26.212 1.839 1.00 20.42 H new ATOM 0 HD3 PRO A 78 -2.791 -26.418 2.164 1.00 20.42 H new ATOM 1151 N THR A 79 -0.036 -22.156 1.761 1.00 61.21 N ATOM 1152 CA THR A 79 1.172 -21.653 1.182 1.00 53.13 C ATOM 1153 C THR A 79 1.027 -20.168 1.106 1.00 24.44 C ATOM 1154 O THR A 79 -0.073 -19.679 0.833 1.00 45.42 O ATOM 1155 CB THR A 79 1.391 -22.198 -0.264 1.00 74.10 C ATOM 1156 OG1 THR A 79 0.206 -21.990 -1.046 1.00 72.53 O ATOM 1157 CG2 THR A 79 1.744 -23.671 -0.279 1.00 41.23 C ATOM 0 H THR A 79 -0.862 -21.612 1.510 1.00 61.21 H new ATOM 0 HA THR A 79 2.022 -21.964 1.790 1.00 53.13 H new ATOM 0 HB THR A 79 2.231 -21.650 -0.690 1.00 74.10 H new ATOM 0 HG1 THR A 79 0.349 -22.332 -1.953 1.00 72.53 H new ATOM 0 HG21 THR A 79 1.886 -24.001 -1.308 1.00 41.23 H new ATOM 0 HG22 THR A 79 2.664 -23.830 0.283 1.00 41.23 H new ATOM 0 HG23 THR A 79 0.936 -24.243 0.177 1.00 41.23 H new ATOM 1165 N LEU A 80 2.084 -19.453 1.346 1.00 31.21 N ATOM 1166 CA LEU A 80 2.051 -18.018 1.259 1.00 22.42 C ATOM 1167 C LEU A 80 1.686 -17.571 -0.163 1.00 22.51 C ATOM 1168 O LEU A 80 0.787 -16.754 -0.345 1.00 50.12 O ATOM 1169 CB LEU A 80 3.378 -17.427 1.756 1.00 1.00 C ATOM 1170 CG LEU A 80 3.454 -17.134 3.261 1.00 33.24 C ATOM 1171 CD1 LEU A 80 4.880 -16.976 3.719 1.00 24.31 C ATOM 1172 CD2 LEU A 80 2.744 -15.850 3.542 1.00 24.11 C ATOM 0 H LEU A 80 2.990 -19.841 1.606 1.00 31.21 H new ATOM 0 HA LEU A 80 1.269 -17.631 1.912 1.00 22.42 H new ATOM 0 HB2 LEU A 80 4.181 -18.117 1.498 1.00 1.00 H new ATOM 0 HB3 LEU A 80 3.567 -16.500 1.214 1.00 1.00 H new ATOM 0 HG LEU A 80 2.997 -17.971 3.789 1.00 33.24 H new ATOM 0 HD11 LEU A 80 4.898 -16.769 4.789 1.00 24.31 H new ATOM 0 HD12 LEU A 80 5.431 -17.895 3.518 1.00 24.31 H new ATOM 0 HD13 LEU A 80 5.345 -16.149 3.182 1.00 24.31 H new ATOM 0 HD21 LEU A 80 2.793 -15.633 4.609 1.00 24.11 H new ATOM 0 HD22 LEU A 80 3.219 -15.042 2.986 1.00 24.11 H new ATOM 0 HD23 LEU A 80 1.701 -15.936 3.236 1.00 24.11 H new ATOM 1184 N ALA A 81 2.306 -18.206 -1.149 1.00 73.22 N ATOM 1185 CA ALA A 81 2.081 -17.913 -2.567 1.00 45.45 C ATOM 1186 C ALA A 81 0.593 -17.924 -2.942 1.00 72.34 C ATOM 1187 O ALA A 81 0.118 -17.017 -3.633 1.00 51.13 O ATOM 1188 CB ALA A 81 2.847 -18.897 -3.439 1.00 74.31 C ATOM 0 H ALA A 81 2.988 -18.948 -0.990 1.00 73.22 H new ATOM 0 HA ALA A 81 2.451 -16.903 -2.745 1.00 45.45 H new ATOM 0 HB1 ALA A 81 2.670 -18.667 -4.490 1.00 74.31 H new ATOM 0 HB2 ALA A 81 3.913 -18.819 -3.225 1.00 74.31 H new ATOM 0 HB3 ALA A 81 2.508 -19.911 -3.228 1.00 74.31 H new ATOM 1194 N ALA A 82 -0.149 -18.931 -2.474 1.00 35.40 N ATOM 1195 CA ALA A 82 -1.569 -19.004 -2.784 1.00 54.22 C ATOM 1196 C ALA A 82 -2.375 -18.084 -1.899 1.00 12.01 C ATOM 1197 O ALA A 82 -3.340 -17.483 -2.356 1.00 23.41 O ATOM 1198 CB ALA A 82 -2.108 -20.416 -2.694 1.00 44.12 C ATOM 0 H ALA A 82 0.205 -19.690 -1.891 1.00 35.40 H new ATOM 0 HA ALA A 82 -1.672 -18.675 -3.818 1.00 54.22 H new ATOM 0 HB1 ALA A 82 -3.171 -20.416 -2.934 1.00 44.12 H new ATOM 0 HB2 ALA A 82 -1.577 -21.054 -3.400 1.00 44.12 H new ATOM 0 HB3 ALA A 82 -1.965 -20.796 -1.683 1.00 44.12 H new ATOM 1204 N TRP A 83 -1.973 -17.956 -0.641 1.00 34.10 N ATOM 1205 CA TRP A 83 -2.664 -17.077 0.298 1.00 4.13 C ATOM 1206 C TRP A 83 -2.666 -15.652 -0.191 1.00 52.12 C ATOM 1207 O TRP A 83 -3.690 -15.006 -0.165 1.00 71.25 O ATOM 1208 CB TRP A 83 -2.080 -17.164 1.694 1.00 40.34 C ATOM 1209 CG TRP A 83 -2.449 -18.409 2.445 1.00 53.20 C ATOM 1210 CD1 TRP A 83 -3.045 -19.537 1.966 1.00 53.32 C ATOM 1211 CD2 TRP A 83 -2.257 -18.621 3.819 1.00 74.13 C ATOM 1212 NE1 TRP A 83 -3.204 -20.444 2.969 1.00 70.22 N ATOM 1213 CE2 TRP A 83 -2.743 -19.893 4.126 1.00 62.22 C ATOM 1214 CE3 TRP A 83 -1.720 -17.847 4.812 1.00 12.41 C ATOM 1215 CZ2 TRP A 83 -2.708 -20.405 5.404 1.00 21.24 C ATOM 1216 CZ3 TRP A 83 -1.675 -18.347 6.100 1.00 15.52 C ATOM 1217 CH2 TRP A 83 -2.174 -19.620 6.386 1.00 61.35 C ATOM 0 H TRP A 83 -1.172 -18.449 -0.246 1.00 34.10 H new ATOM 0 HA TRP A 83 -3.696 -17.422 0.354 1.00 4.13 H new ATOM 0 HB2 TRP A 83 -0.994 -17.105 1.624 1.00 40.34 H new ATOM 0 HB3 TRP A 83 -2.410 -16.298 2.267 1.00 40.34 H new ATOM 0 HD1 TRP A 83 -3.347 -19.689 0.940 1.00 53.32 H new ATOM 0 HE1 TRP A 83 -3.601 -21.378 2.870 1.00 70.22 H new ATOM 0 HE3 TRP A 83 -1.337 -16.861 4.593 1.00 12.41 H new ATOM 0 HZ2 TRP A 83 -3.089 -21.392 5.622 1.00 21.24 H new ATOM 0 HZ3 TRP A 83 -1.250 -17.748 6.892 1.00 15.52 H new ATOM 0 HH2 TRP A 83 -2.137 -19.990 7.400 1.00 61.35 H new ATOM 1228 N ASN A 84 -1.511 -15.193 -0.660 1.00 31.32 N ATOM 1229 CA ASN A 84 -1.354 -13.852 -1.294 1.00 22.14 C ATOM 1230 C ASN A 84 -2.457 -13.625 -2.328 1.00 15.45 C ATOM 1231 O ASN A 84 -3.143 -12.585 -2.333 1.00 45.41 O ATOM 1232 CB ASN A 84 0.017 -13.766 -2.003 1.00 70.24 C ATOM 1233 CG ASN A 84 0.300 -12.409 -2.650 1.00 23.13 C ATOM 1234 OD1 ASN A 84 0.841 -11.497 -2.010 1.00 54.24 O ATOM 1235 ND2 ASN A 84 -0.032 -12.264 -3.914 1.00 73.05 N ATOM 0 H ASN A 84 -0.644 -15.728 -0.620 1.00 31.32 H new ATOM 0 HA ASN A 84 -1.420 -13.091 -0.516 1.00 22.14 H new ATOM 0 HB2 ASN A 84 0.803 -13.983 -1.279 1.00 70.24 H new ATOM 0 HB3 ASN A 84 0.067 -14.540 -2.769 1.00 70.24 H new ATOM 0 HD21 ASN A 84 0.155 -11.383 -4.393 1.00 73.05 H new ATOM 0 HD22 ASN A 84 -0.476 -13.033 -4.416 1.00 73.05 H new ATOM 1242 N GLN A 85 -2.657 -14.639 -3.154 1.00 64.13 N ATOM 1243 CA GLN A 85 -3.648 -14.616 -4.206 1.00 5.44 C ATOM 1244 C GLN A 85 -5.039 -14.531 -3.595 1.00 24.53 C ATOM 1245 O GLN A 85 -5.833 -13.683 -3.973 1.00 11.42 O ATOM 1246 CB GLN A 85 -3.531 -15.875 -5.088 1.00 74.32 C ATOM 1247 CG GLN A 85 -2.126 -16.128 -5.622 1.00 30.03 C ATOM 1248 CD GLN A 85 -1.536 -14.946 -6.367 1.00 44.20 C ATOM 1249 OE1 GLN A 85 -2.237 -14.174 -6.990 1.00 62.14 O ATOM 1250 NE2 GLN A 85 -0.237 -14.789 -6.272 1.00 43.13 N ATOM 0 H GLN A 85 -2.127 -15.509 -3.108 1.00 64.13 H new ATOM 0 HA GLN A 85 -3.476 -13.741 -4.833 1.00 5.44 H new ATOM 0 HB2 GLN A 85 -3.851 -16.742 -4.510 1.00 74.32 H new ATOM 0 HB3 GLN A 85 -4.217 -15.782 -5.930 1.00 74.32 H new ATOM 0 HG2 GLN A 85 -1.471 -16.385 -4.790 1.00 30.03 H new ATOM 0 HG3 GLN A 85 -2.150 -16.991 -6.288 1.00 30.03 H new ATOM 0 HE21 GLN A 85 0.320 -15.458 -5.740 1.00 43.13 H new ATOM 0 HE22 GLN A 85 0.216 -13.998 -6.730 1.00 43.13 H new ATOM 1259 N LEU A 86 -5.292 -15.368 -2.592 1.00 55.32 N ATOM 1260 CA LEU A 86 -6.586 -15.431 -1.897 1.00 74.00 C ATOM 1261 C LEU A 86 -6.914 -14.117 -1.182 1.00 15.30 C ATOM 1262 O LEU A 86 -8.074 -13.810 -0.946 1.00 73.54 O ATOM 1263 CB LEU A 86 -6.593 -16.563 -0.858 1.00 25.30 C ATOM 1264 CG LEU A 86 -6.256 -17.964 -1.369 1.00 41.44 C ATOM 1265 CD1 LEU A 86 -6.234 -18.931 -0.227 1.00 3.22 C ATOM 1266 CD2 LEU A 86 -7.255 -18.430 -2.409 1.00 52.00 C ATOM 0 H LEU A 86 -4.603 -16.029 -2.232 1.00 55.32 H new ATOM 0 HA LEU A 86 -7.340 -15.618 -2.661 1.00 74.00 H new ATOM 0 HB2 LEU A 86 -5.883 -16.308 -0.071 1.00 25.30 H new ATOM 0 HB3 LEU A 86 -7.580 -16.597 -0.398 1.00 25.30 H new ATOM 0 HG LEU A 86 -5.272 -17.922 -1.837 1.00 41.44 H new ATOM 0 HD11 LEU A 86 -5.993 -19.927 -0.598 1.00 3.22 H new ATOM 0 HD12 LEU A 86 -5.480 -18.622 0.497 1.00 3.22 H new ATOM 0 HD13 LEU A 86 -7.212 -18.949 0.253 1.00 3.22 H new ATOM 0 HD21 LEU A 86 -6.985 -19.429 -2.751 1.00 52.00 H new ATOM 0 HD22 LEU A 86 -8.253 -18.453 -1.970 1.00 52.00 H new ATOM 0 HD23 LEU A 86 -7.247 -17.743 -3.255 1.00 52.00 H new ATOM 1278 N MET A 87 -5.885 -13.332 -0.892 1.00 22.10 N ATOM 1279 CA MET A 87 -6.016 -12.117 -0.108 1.00 33.24 C ATOM 1280 C MET A 87 -6.464 -11.011 -0.987 1.00 0.30 C ATOM 1281 O MET A 87 -7.473 -10.358 -0.739 1.00 54.41 O ATOM 1282 CB MET A 87 -4.680 -11.746 0.555 1.00 53.53 C ATOM 1283 CG MET A 87 -4.254 -12.696 1.658 1.00 0.51 C ATOM 1284 SD MET A 87 -2.676 -12.259 2.409 1.00 61.04 S ATOM 1285 CE MET A 87 -3.094 -10.716 3.215 1.00 5.54 C ATOM 0 H MET A 87 -4.931 -13.524 -1.197 1.00 22.10 H new ATOM 0 HA MET A 87 -6.752 -12.286 0.678 1.00 33.24 H new ATOM 0 HB2 MET A 87 -3.902 -11.720 -0.208 1.00 53.53 H new ATOM 0 HB3 MET A 87 -4.757 -10.739 0.966 1.00 53.53 H new ATOM 0 HG2 MET A 87 -5.023 -12.713 2.430 1.00 0.51 H new ATOM 0 HG3 MET A 87 -4.188 -13.706 1.252 1.00 0.51 H new ATOM 0 HE1 MET A 87 -2.324 -10.467 3.946 1.00 5.54 H new ATOM 0 HE2 MET A 87 -3.158 -9.922 2.471 1.00 5.54 H new ATOM 0 HE3 MET A 87 -4.054 -10.818 3.720 1.00 5.54 H new ATOM 1295 N LEU A 88 -5.739 -10.846 -2.043 1.00 13.22 N ATOM 1296 CA LEU A 88 -5.987 -9.848 -2.990 1.00 1.01 C ATOM 1297 C LEU A 88 -7.256 -10.158 -3.774 1.00 34.23 C ATOM 1298 O LEU A 88 -8.022 -9.276 -4.087 1.00 54.12 O ATOM 1299 CB LEU A 88 -4.772 -9.759 -3.882 1.00 5.51 C ATOM 1300 CG LEU A 88 -5.014 -9.153 -5.205 1.00 21.00 C ATOM 1301 CD1 LEU A 88 -5.304 -7.634 -5.087 1.00 33.23 C ATOM 1302 CD2 LEU A 88 -3.884 -9.450 -6.170 1.00 44.21 C ATOM 0 H LEU A 88 -4.933 -11.431 -2.264 1.00 13.22 H new ATOM 0 HA LEU A 88 -6.154 -8.884 -2.509 1.00 1.01 H new ATOM 0 HB2 LEU A 88 -4.004 -9.180 -3.369 1.00 5.51 H new ATOM 0 HB3 LEU A 88 -4.371 -10.762 -4.026 1.00 5.51 H new ATOM 0 HG LEU A 88 -5.909 -9.615 -5.621 1.00 21.00 H new ATOM 0 HD11 LEU A 88 -5.478 -7.219 -6.080 1.00 33.23 H new ATOM 0 HD12 LEU A 88 -6.188 -7.479 -4.469 1.00 33.23 H new ATOM 0 HD13 LEU A 88 -4.450 -7.135 -4.629 1.00 33.23 H new ATOM 0 HD21 LEU A 88 -4.097 -8.988 -7.134 1.00 44.21 H new ATOM 0 HD22 LEU A 88 -2.952 -9.048 -5.773 1.00 44.21 H new ATOM 0 HD23 LEU A 88 -3.789 -10.528 -6.298 1.00 44.21 H new ATOM 1314 N SER A 89 -7.512 -11.419 -4.014 1.00 23.55 N ATOM 1315 CA SER A 89 -8.683 -11.804 -4.764 1.00 53.21 C ATOM 1316 C SER A 89 -9.996 -11.652 -3.938 1.00 62.12 C ATOM 1317 O SER A 89 -11.054 -12.150 -4.336 1.00 5.45 O ATOM 1318 CB SER A 89 -8.542 -13.216 -5.326 1.00 11.22 C ATOM 1319 OG SER A 89 -7.399 -13.307 -6.156 1.00 4.53 O ATOM 0 H SER A 89 -6.928 -12.195 -3.703 1.00 23.55 H new ATOM 0 HA SER A 89 -8.759 -11.113 -5.604 1.00 53.21 H new ATOM 0 HB2 SER A 89 -8.463 -13.933 -4.509 1.00 11.22 H new ATOM 0 HB3 SER A 89 -9.434 -13.478 -5.895 1.00 11.22 H new ATOM 0 HG SER A 89 -6.604 -13.454 -5.603 1.00 4.53 H new