USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 750 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 ASN : amide:sc= -9.12! C(o=-9.1!,f=-10!) USER MOD Set 2.1: A 92 GLN : amide:sc= -7.83! C(o=-11!,f=-14!) USER MOD Set 2.2: A 96 TYR OH : rot -169:sc= -2.8! USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -2.18 USER MOD Set 3.2: A 65 HIS : no HD1:sc= -0.111 X(o=-2.3,f=-2.2) USER MOD Set 4.1: A 51 THR OG1 : rot -130:sc= 0.645 USER MOD Set 4.2: A 103 THR OG1 : rot -149:sc= -6.82! USER MOD Set 5.1: A 28 THR OG1 : rot 50:sc= -8.43! USER MOD Set 5.2: A 30 LYS NZ :NH3+ 176:sc= -10.8! (180deg=-9.99!) USER MOD Set 6.1: A 5 ASN :FLIP amide:sc= -9.19! C(o=-16!,f=-14!) USER MOD Set 6.2: A 9 TYR OH : rot 96:sc= -4.83! USER MOD Single : A 8 THR OG1 : rot -37:sc= 1.01 USER MOD Single : A 12 TYR OH : rot 127:sc= -8.85! USER MOD Single : A 13 ASN : amide:sc= -16.6! C(o=-17!,f=-31!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0017 (180deg=-0.104) USER MOD Single : A 15 SER OG : rot 40:sc= 1.13 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -126:sc= -42.7! (180deg=-58!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 130:sc= -1.63! USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.06) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= -5.59! (180deg=-5.81!) USER MOD Single : A 63 HIS :FLIP no HE2:sc=-0.000545 F(o=-0.88,f=-0.00055) USER MOD Single : A 64 TYR OH : rot -38:sc= -1.04! USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= -0.573 (180deg=-1.91!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.953! USER MOD Single : A 77 TYR OH : rot 4:sc= 0.189 USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= -2.47! (180deg=-3.11!) USER MOD Single : A 82 TYR OH : rot 26:sc= -2.45! USER MOD Single : A 86 SER OG : rot 180:sc= -1.24! USER MOD Single : A 94 HIS : no HE2:sc= -21.4! C(o=-21!,f=-22!) USER MOD Single : A 95 GLN :FLIP amide:sc= -12.1! C(o=-18!,f=-12!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -41:sc= 0.444! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -0.951 12.303 7.363 1.00 0.00 N ATOM 22 CA ASN A 5 -1.494 11.673 8.562 1.00 0.00 C ATOM 23 C ASN A 5 -1.595 10.161 8.387 1.00 0.00 C ATOM 24 O ASN A 5 -1.607 9.414 9.366 1.00 0.00 O ATOM 25 CB ASN A 5 -2.870 12.251 8.890 1.00 0.00 C ATOM 26 CG ASN A 5 -3.997 11.300 8.534 1.00 0.00 C ATOM 27 OD1 ASN A 5 -3.951 10.753 7.324 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -4.897 11.058 9.339 1.00 0.00 N flip ATOM 0 HA ASN A 5 -0.814 11.880 9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.918 12.485 9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.005 13.188 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.892 11.501 10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.647 10.415 9.087 1.00 0.00 H new ATOM 35 N LEU A 6 -1.665 9.722 7.138 1.00 0.00 N ATOM 36 CA LEU A 6 -1.767 8.299 6.833 1.00 0.00 C ATOM 37 C LEU A 6 -0.546 7.547 7.356 1.00 0.00 C ATOM 38 O LEU A 6 -0.623 6.365 7.687 1.00 0.00 O ATOM 39 CB LEU A 6 -1.915 8.095 5.319 1.00 0.00 C ATOM 40 CG LEU A 6 -1.749 6.652 4.833 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.557 5.704 5.702 1.00 0.00 C ATOM 42 CD2 LEU A 6 -2.162 6.526 3.371 1.00 0.00 C ATOM 0 H LEU A 6 -1.653 10.329 6.319 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.651 7.899 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.899 8.452 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.179 8.719 4.811 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.696 6.380 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.428 4.683 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.212 5.773 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.612 5.975 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.037 5.493 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.207 6.817 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.538 7.178 2.759 1.00 0.00 H new ATOM 54 N GLU A 7 0.579 8.249 7.422 1.00 0.00 N ATOM 55 CA GLU A 7 1.835 7.671 7.895 1.00 0.00 C ATOM 56 C GLU A 7 1.680 7.021 9.264 1.00 0.00 C ATOM 57 O GLU A 7 2.205 5.935 9.510 1.00 0.00 O ATOM 58 CB GLU A 7 2.922 8.745 7.952 1.00 0.00 C ATOM 59 CG GLU A 7 3.080 9.378 9.324 1.00 0.00 C ATOM 60 CD GLU A 7 3.580 10.807 9.254 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.142 11.189 8.205 1.00 0.00 O ATOM 62 OE2 GLU A 7 3.408 11.547 10.245 1.00 0.00 O ATOM 0 H GLU A 7 0.649 9.230 7.151 1.00 0.00 H new ATOM 0 HA GLU A 7 2.125 6.895 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.873 8.304 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.690 9.524 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.121 9.358 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.775 8.783 9.917 1.00 0.00 H new ATOM 69 N THR A 8 0.966 7.693 10.151 1.00 0.00 N ATOM 70 CA THR A 8 0.749 7.182 11.500 1.00 0.00 C ATOM 71 C THR A 8 -0.385 6.166 11.521 1.00 0.00 C ATOM 72 O THR A 8 -0.918 5.834 12.580 1.00 0.00 O ATOM 73 CB THR A 8 0.442 8.331 12.460 1.00 0.00 C ATOM 74 OG1 THR A 8 0.303 7.852 13.787 1.00 0.00 O ATOM 75 CG2 THR A 8 -0.823 9.084 12.110 1.00 0.00 C ATOM 0 H THR A 8 0.525 8.594 9.964 1.00 0.00 H new ATOM 0 HA THR A 8 1.662 6.684 11.824 1.00 0.00 H new ATOM 0 HB THR A 8 1.287 9.014 12.372 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.142 6.979 13.775 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.981 9.886 12.832 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.729 9.509 11.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.672 8.401 12.135 1.00 0.00 H new ATOM 83 N TYR A 9 -0.754 5.683 10.343 1.00 0.00 N ATOM 84 CA TYR A 9 -1.827 4.714 10.216 1.00 0.00 C ATOM 85 C TYR A 9 -1.337 3.292 10.432 1.00 0.00 C ATOM 86 O TYR A 9 -0.151 3.052 10.659 1.00 0.00 O ATOM 87 CB TYR A 9 -2.465 4.815 8.837 1.00 0.00 C ATOM 88 CG TYR A 9 -3.297 6.053 8.654 1.00 0.00 C ATOM 89 CD1 TYR A 9 -2.987 7.229 9.323 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.391 6.045 7.812 1.00 0.00 C ATOM 91 CE1 TYR A 9 -3.753 8.364 9.154 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.160 7.170 7.634 1.00 0.00 C ATOM 93 CZ TYR A 9 -4.841 8.331 8.305 1.00 0.00 C ATOM 94 OH TYR A 9 -5.610 9.457 8.129 1.00 0.00 O ATOM 0 H TYR A 9 -0.322 5.950 9.459 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.561 4.945 10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.681 4.798 8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.090 3.938 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.134 7.256 9.985 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.647 5.138 7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.503 9.272 9.682 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.012 7.144 6.970 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.315 9.932 7.325 1.00 0.00 H new ATOM 104 N GLU A 10 -2.270 2.352 10.350 1.00 0.00 N ATOM 105 CA GLU A 10 -1.964 0.942 10.525 1.00 0.00 C ATOM 106 C GLU A 10 -1.429 0.335 9.238 1.00 0.00 C ATOM 107 O GLU A 10 -1.396 -0.886 9.093 1.00 0.00 O ATOM 108 CB GLU A 10 -3.214 0.177 10.949 1.00 0.00 C ATOM 109 CG GLU A 10 -4.503 0.956 10.741 1.00 0.00 C ATOM 110 CD GLU A 10 -4.646 2.115 11.709 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.077 1.879 12.857 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.328 3.258 11.318 1.00 0.00 O ATOM 0 H GLU A 10 -3.254 2.546 10.161 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.202 0.864 11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.268 -0.755 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.127 -0.091 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.534 1.335 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.353 0.283 10.857 1.00 0.00 H new ATOM 119 N TRP A 11 -1.045 1.177 8.290 1.00 0.00 N ATOM 120 CA TRP A 11 -0.563 0.669 7.014 1.00 0.00 C ATOM 121 C TRP A 11 0.418 1.610 6.320 1.00 0.00 C ATOM 122 O TRP A 11 1.204 1.173 5.480 1.00 0.00 O ATOM 123 CB TRP A 11 -1.761 0.420 6.105 1.00 0.00 C ATOM 124 CG TRP A 11 -2.875 1.395 6.344 1.00 0.00 C ATOM 125 CD1 TRP A 11 -3.687 1.462 7.441 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.298 2.443 5.469 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.576 2.500 7.307 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.362 3.113 6.102 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.878 2.883 4.215 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.010 4.199 5.518 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.523 3.960 3.636 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.579 4.607 4.290 1.00 0.00 C ATOM 0 H TRP A 11 -1.056 2.193 8.376 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.018 -0.253 7.214 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.443 0.484 5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.129 -0.594 6.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.637 0.796 8.290 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.281 2.770 7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.063 2.391 3.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.825 4.700 6.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.207 4.308 2.664 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.062 5.446 3.812 1.00 0.00 H new ATOM 143 N TYR A 12 0.373 2.893 6.643 1.00 0.00 N ATOM 144 CA TYR A 12 1.266 3.839 5.999 1.00 0.00 C ATOM 145 C TYR A 12 2.700 3.654 6.455 1.00 0.00 C ATOM 146 O TYR A 12 3.058 3.969 7.591 1.00 0.00 O ATOM 147 CB TYR A 12 0.847 5.287 6.227 1.00 0.00 C ATOM 148 CG TYR A 12 1.590 6.244 5.316 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.793 5.864 4.734 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.099 7.511 5.032 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.486 6.712 3.900 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.787 8.369 4.195 1.00 0.00 C ATOM 153 CZ TYR A 12 2.981 7.966 3.631 1.00 0.00 C ATOM 154 OH TYR A 12 3.668 8.817 2.799 1.00 0.00 O ATOM 0 H TYR A 12 -0.260 3.296 7.334 1.00 0.00 H new ATOM 0 HA TYR A 12 1.199 3.629 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.225 5.385 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.032 5.559 7.266 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.193 4.882 4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.166 7.831 5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.420 6.397 3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.392 9.351 3.983 1.00 0.00 H new ATOM 0 HH TYR A 12 3.070 9.137 2.092 1.00 0.00 H new ATOM 164 N ASN A 13 3.515 3.165 5.540 1.00 0.00 N ATOM 165 CA ASN A 13 4.923 2.953 5.795 1.00 0.00 C ATOM 166 C ASN A 13 5.728 4.092 5.175 1.00 0.00 C ATOM 167 O ASN A 13 5.578 4.389 3.989 1.00 0.00 O ATOM 168 CB ASN A 13 5.339 1.609 5.211 1.00 0.00 C ATOM 169 CG ASN A 13 6.230 0.821 6.147 1.00 0.00 C ATOM 170 OD1 ASN A 13 7.455 0.919 6.088 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.612 0.038 7.019 1.00 0.00 N ATOM 0 H ASN A 13 3.218 2.904 4.600 1.00 0.00 H new ATOM 0 HA ASN A 13 5.115 2.941 6.868 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.448 1.024 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.862 1.772 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.155 -0.517 7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.593 -0.010 7.029 1.00 0.00 H new ATOM 178 N LYS A 14 6.561 4.740 5.980 1.00 0.00 N ATOM 179 CA LYS A 14 7.367 5.862 5.504 1.00 0.00 C ATOM 180 C LYS A 14 8.016 5.543 4.162 1.00 0.00 C ATOM 181 O LYS A 14 7.590 4.630 3.456 1.00 0.00 O ATOM 182 CB LYS A 14 8.442 6.216 6.532 1.00 0.00 C ATOM 183 CG LYS A 14 8.515 7.700 6.849 1.00 0.00 C ATOM 184 CD LYS A 14 7.413 8.118 7.810 1.00 0.00 C ATOM 185 CE LYS A 14 7.652 9.516 8.357 1.00 0.00 C ATOM 186 NZ LYS A 14 8.776 9.548 9.333 1.00 0.00 N ATOM 0 H LYS A 14 6.697 4.510 6.964 1.00 0.00 H new ATOM 0 HA LYS A 14 6.705 6.717 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.248 5.665 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.412 5.884 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.487 7.933 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.433 8.275 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.451 8.086 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.359 7.408 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.868 10.196 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.743 9.877 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.767 10.454 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.668 8.768 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.678 9.444 8.827 1.00 0.00 H new ATOM 200 N SER A 15 9.055 6.296 3.816 1.00 0.00 N ATOM 201 CA SER A 15 9.765 6.086 2.560 1.00 0.00 C ATOM 202 C SER A 15 10.275 4.653 2.470 1.00 0.00 C ATOM 203 O SER A 15 10.994 4.290 1.539 1.00 0.00 O ATOM 204 CB SER A 15 10.932 7.065 2.436 1.00 0.00 C ATOM 205 OG SER A 15 12.090 6.421 1.933 1.00 0.00 O ATOM 0 H SER A 15 9.424 7.056 4.387 1.00 0.00 H new ATOM 0 HA SER A 15 9.070 6.263 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.653 7.886 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.150 7.501 3.411 1.00 0.00 H new ATOM 0 HG SER A 15 11.834 5.791 1.228 1.00 0.00 H new ATOM 211 N ILE A 16 9.889 3.846 3.450 1.00 0.00 N ATOM 212 CA ILE A 16 10.293 2.447 3.502 1.00 0.00 C ATOM 213 C ILE A 16 10.406 1.852 2.098 1.00 0.00 C ATOM 214 O ILE A 16 11.472 1.894 1.483 1.00 0.00 O ATOM 215 CB ILE A 16 9.298 1.627 4.342 1.00 0.00 C ATOM 216 CG1 ILE A 16 9.526 0.130 4.143 1.00 0.00 C ATOM 217 CG2 ILE A 16 7.871 2.002 3.984 1.00 0.00 C ATOM 218 CD1 ILE A 16 9.154 -0.699 5.352 1.00 0.00 C ATOM 0 H ILE A 16 9.293 4.139 4.224 1.00 0.00 H new ATOM 0 HA ILE A 16 11.275 2.403 3.973 1.00 0.00 H new ATOM 0 HB ILE A 16 9.464 1.858 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.943 -0.208 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.575 -0.042 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.178 1.414 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.713 3.062 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.696 1.799 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.341 -1.752 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.755 -0.387 6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.098 -0.556 5.580 1.00 0.00 H new ATOM 230 N SER A 17 9.305 1.300 1.592 1.00 0.00 N ATOM 231 CA SER A 17 9.291 0.705 0.263 1.00 0.00 C ATOM 232 C SER A 17 8.221 -0.378 0.169 1.00 0.00 C ATOM 233 O SER A 17 7.969 -1.099 1.134 1.00 0.00 O ATOM 234 CB SER A 17 10.662 0.114 -0.070 1.00 0.00 C ATOM 235 OG SER A 17 10.589 -0.746 -1.194 1.00 0.00 O ATOM 0 H SER A 17 8.413 1.254 2.084 1.00 0.00 H new ATOM 0 HA SER A 17 9.058 1.488 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.369 0.919 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.042 -0.438 0.790 1.00 0.00 H new ATOM 0 HG SER A 17 11.479 -1.109 -1.387 1.00 0.00 H new ATOM 241 N ARG A 18 7.597 -0.490 -0.999 1.00 0.00 N ATOM 242 CA ARG A 18 6.559 -1.488 -1.212 1.00 0.00 C ATOM 243 C ARG A 18 7.102 -2.883 -0.940 1.00 0.00 C ATOM 244 O ARG A 18 6.360 -3.782 -0.538 1.00 0.00 O ATOM 245 CB ARG A 18 6.022 -1.405 -2.642 1.00 0.00 C ATOM 246 CG ARG A 18 6.534 -0.201 -3.413 1.00 0.00 C ATOM 247 CD ARG A 18 7.922 -0.453 -3.980 1.00 0.00 C ATOM 248 NE ARG A 18 8.153 0.292 -5.214 1.00 0.00 N ATOM 249 CZ ARG A 18 9.340 0.764 -5.578 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.399 0.570 -4.803 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.470 1.432 -6.715 1.00 0.00 N ATOM 0 H ARG A 18 7.792 0.097 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 18 5.742 -1.287 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.297 -2.313 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.933 -1.370 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.845 0.033 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.560 0.669 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.672 -0.171 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.047 -1.519 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 18 7.358 0.459 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.302 0.058 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.310 0.933 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.658 1.585 -7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.382 1.794 -6.993 1.00 0.00 H new ATOM 265 N ASP A 19 8.406 -3.056 -1.140 1.00 0.00 N ATOM 266 CA ASP A 19 9.035 -4.347 -0.889 1.00 0.00 C ATOM 267 C ASP A 19 8.870 -4.691 0.578 1.00 0.00 C ATOM 268 O ASP A 19 8.561 -5.827 0.950 1.00 0.00 O ATOM 269 CB ASP A 19 10.517 -4.307 -1.262 1.00 0.00 C ATOM 270 CG ASP A 19 10.820 -5.110 -2.512 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.001 -5.073 -3.455 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.877 -5.775 -2.550 1.00 0.00 O ATOM 0 H ASP A 19 9.040 -2.328 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 19 8.557 -5.110 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.823 -3.272 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.108 -4.694 -0.432 1.00 0.00 H new ATOM 277 N LYS A 20 9.025 -3.671 1.405 1.00 0.00 N ATOM 278 CA LYS A 20 8.854 -3.819 2.833 1.00 0.00 C ATOM 279 C LYS A 20 7.382 -4.021 3.123 1.00 0.00 C ATOM 280 O LYS A 20 6.992 -4.963 3.815 1.00 0.00 O ATOM 281 CB LYS A 20 9.393 -2.591 3.559 1.00 0.00 C ATOM 282 CG LYS A 20 10.556 -1.938 2.832 1.00 0.00 C ATOM 283 CD LYS A 20 11.767 -1.780 3.734 1.00 0.00 C ATOM 284 CE LYS A 20 12.578 -0.556 3.351 1.00 0.00 C ATOM 285 NZ LYS A 20 13.202 0.093 4.538 1.00 0.00 N ATOM 0 H LYS A 20 9.271 -2.727 1.106 1.00 0.00 H new ATOM 0 HA LYS A 20 9.413 -4.684 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.590 -1.863 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.712 -2.878 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.825 -2.539 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.250 -0.960 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.443 -1.695 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.393 -2.670 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.356 -0.843 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.934 0.161 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.747 0.925 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.459 0.391 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.837 -0.583 5.009 1.00 0.00 H new ATOM 299 N ALA A 21 6.562 -3.160 2.535 1.00 0.00 N ATOM 300 CA ALA A 21 5.125 -3.284 2.690 1.00 0.00 C ATOM 301 C ALA A 21 4.748 -4.718 2.359 1.00 0.00 C ATOM 302 O ALA A 21 4.102 -5.419 3.151 1.00 0.00 O ATOM 303 CB ALA A 21 4.404 -2.307 1.773 1.00 0.00 C ATOM 0 H ALA A 21 6.865 -2.379 1.954 1.00 0.00 H new ATOM 0 HA ALA A 21 4.829 -3.046 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.327 -2.414 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.700 -1.288 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.668 -2.518 0.737 1.00 0.00 H new ATOM 309 N GLU A 22 5.229 -5.173 1.204 1.00 0.00 N ATOM 310 CA GLU A 22 5.007 -6.541 0.784 1.00 0.00 C ATOM 311 C GLU A 22 5.711 -7.459 1.762 1.00 0.00 C ATOM 312 O GLU A 22 5.183 -8.499 2.147 1.00 0.00 O ATOM 313 CB GLU A 22 5.524 -6.771 -0.637 1.00 0.00 C ATOM 314 CG GLU A 22 7.021 -6.562 -0.780 1.00 0.00 C ATOM 315 CD GLU A 22 7.522 -6.873 -2.176 1.00 0.00 C ATOM 316 OE1 GLU A 22 7.323 -6.034 -3.080 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.114 -7.956 -2.366 1.00 0.00 O ATOM 0 H GLU A 22 5.772 -4.611 0.549 1.00 0.00 H new ATOM 0 HA GLU A 22 3.938 -6.752 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.276 -7.787 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.005 -6.096 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.265 -5.529 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.543 -7.194 -0.061 1.00 0.00 H new ATOM 324 N LYS A 23 6.897 -7.037 2.194 1.00 0.00 N ATOM 325 CA LYS A 23 7.661 -7.807 3.162 1.00 0.00 C ATOM 326 C LYS A 23 6.777 -8.101 4.358 1.00 0.00 C ATOM 327 O LYS A 23 6.618 -9.253 4.762 1.00 0.00 O ATOM 328 CB LYS A 23 8.912 -7.041 3.597 1.00 0.00 C ATOM 329 CG LYS A 23 10.077 -7.943 3.970 1.00 0.00 C ATOM 330 CD LYS A 23 11.090 -8.037 2.839 1.00 0.00 C ATOM 331 CE LYS A 23 11.302 -6.690 2.167 1.00 0.00 C ATOM 332 NZ LYS A 23 12.533 -6.674 1.330 1.00 0.00 N ATOM 0 H LYS A 23 7.344 -6.172 1.890 1.00 0.00 H new ATOM 0 HA LYS A 23 7.986 -8.742 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.221 -6.377 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.664 -6.410 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.564 -7.559 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.705 -8.939 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.039 -8.403 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.747 -8.763 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.438 -6.454 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.370 -5.912 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.641 -5.738 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.361 -6.874 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.458 -7.399 0.588 1.00 0.00 H new ATOM 346 N LEU A 24 6.159 -7.056 4.892 1.00 0.00 N ATOM 347 CA LEU A 24 5.238 -7.219 6.008 1.00 0.00 C ATOM 348 C LEU A 24 4.008 -7.959 5.512 1.00 0.00 C ATOM 349 O LEU A 24 3.442 -8.794 6.217 1.00 0.00 O ATOM 350 CB LEU A 24 4.815 -5.882 6.625 1.00 0.00 C ATOM 351 CG LEU A 24 5.813 -4.736 6.495 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.236 -5.262 6.405 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.463 -3.885 5.288 1.00 0.00 C ATOM 0 H LEU A 24 6.277 -6.094 4.574 1.00 0.00 H new ATOM 0 HA LEU A 24 5.751 -7.781 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.877 -5.573 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.613 -6.042 7.684 1.00 0.00 H new ATOM 0 HG LEU A 24 5.753 -4.113 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.928 -4.425 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.471 -5.830 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.330 -5.909 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.179 -3.068 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.499 -4.498 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.460 -3.477 5.409 1.00 0.00 H new ATOM 365 N LEU A 25 3.596 -7.641 4.283 1.00 0.00 N ATOM 366 CA LEU A 25 2.426 -8.274 3.691 1.00 0.00 C ATOM 367 C LEU A 25 2.614 -9.783 3.608 1.00 0.00 C ATOM 368 O LEU A 25 1.768 -10.548 4.069 1.00 0.00 O ATOM 369 CB LEU A 25 2.175 -7.721 2.290 1.00 0.00 C ATOM 370 CG LEU A 25 2.064 -6.200 2.185 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.010 -5.810 1.160 1.00 0.00 C ATOM 372 CD2 LEU A 25 1.742 -5.595 3.537 1.00 0.00 C ATOM 0 H LEU A 25 4.055 -6.953 3.685 1.00 0.00 H new ATOM 0 HA LEU A 25 1.568 -8.056 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.983 -8.053 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.255 -8.161 1.906 1.00 0.00 H new ATOM 0 HG LEU A 25 3.026 -5.808 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.946 -4.724 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.285 -6.212 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.043 -6.215 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.667 -4.512 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.794 -5.994 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.533 -5.843 4.244 1.00 0.00 H new ATOM 384 N LEU A 26 3.731 -10.206 3.040 1.00 0.00 N ATOM 385 CA LEU A 26 4.022 -11.630 2.926 1.00 0.00 C ATOM 386 C LEU A 26 4.424 -12.181 4.282 1.00 0.00 C ATOM 387 O LEU A 26 4.036 -13.286 4.662 1.00 0.00 O ATOM 388 CB LEU A 26 5.124 -11.898 1.897 1.00 0.00 C ATOM 389 CG LEU A 26 5.976 -10.688 1.512 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.381 -11.126 1.131 1.00 0.00 C ATOM 391 CD2 LEU A 26 5.325 -9.926 0.367 1.00 0.00 C ATOM 0 H LEU A 26 4.447 -9.592 2.653 1.00 0.00 H new ATOM 0 HA LEU A 26 3.119 -12.135 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.782 -12.673 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.663 -12.298 0.994 1.00 0.00 H new ATOM 0 HG LEU A 26 6.046 -10.024 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.974 -10.252 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.846 -11.632 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.332 -11.809 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.943 -9.067 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.228 -10.582 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.337 -9.582 0.674 1.00 0.00 H new ATOM 403 N ASP A 27 5.194 -11.388 5.012 1.00 0.00 N ATOM 404 CA ASP A 27 5.646 -11.769 6.340 1.00 0.00 C ATOM 405 C ASP A 27 4.467 -11.829 7.300 1.00 0.00 C ATOM 406 O ASP A 27 4.423 -12.664 8.202 1.00 0.00 O ATOM 407 CB ASP A 27 6.696 -10.782 6.853 1.00 0.00 C ATOM 408 CG ASP A 27 8.046 -10.982 6.197 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.322 -12.110 5.735 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.830 -10.010 6.142 1.00 0.00 O ATOM 0 H ASP A 27 5.520 -10.472 4.704 1.00 0.00 H new ATOM 0 HA ASP A 27 6.101 -12.758 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.353 -9.764 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.799 -10.894 7.932 1.00 0.00 H new ATOM 415 N THR A 28 3.510 -10.931 7.092 1.00 0.00 N ATOM 416 CA THR A 28 2.324 -10.873 7.930 1.00 0.00 C ATOM 417 C THR A 28 1.450 -12.099 7.709 1.00 0.00 C ATOM 418 O THR A 28 1.030 -12.754 8.663 1.00 0.00 O ATOM 419 CB THR A 28 1.533 -9.591 7.656 1.00 0.00 C ATOM 420 OG1 THR A 28 0.566 -9.373 8.666 1.00 0.00 O ATOM 421 CG2 THR A 28 0.815 -9.598 6.323 1.00 0.00 C ATOM 0 H THR A 28 3.535 -10.233 6.348 1.00 0.00 H new ATOM 0 HA THR A 28 2.642 -10.863 8.972 1.00 0.00 H new ATOM 0 HB THR A 28 2.276 -8.794 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.990 -9.450 9.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.275 -8.660 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.542 -9.711 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.110 -10.429 6.294 1.00 0.00 H new ATOM 429 N GLY A 29 1.198 -12.418 6.446 1.00 0.00 N ATOM 430 CA GLY A 29 0.394 -13.586 6.129 1.00 0.00 C ATOM 431 C GLY A 29 -1.073 -13.436 6.498 1.00 0.00 C ATOM 432 O GLY A 29 -1.822 -14.413 6.483 1.00 0.00 O ATOM 0 H GLY A 29 1.533 -11.893 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.472 -13.791 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.804 -14.451 6.650 1.00 0.00 H new ATOM 436 N LYS A 30 -1.498 -12.215 6.814 1.00 0.00 N ATOM 437 CA LYS A 30 -2.890 -11.963 7.166 1.00 0.00 C ATOM 438 C LYS A 30 -3.643 -11.419 5.965 1.00 0.00 C ATOM 439 O LYS A 30 -3.353 -10.322 5.489 1.00 0.00 O ATOM 440 CB LYS A 30 -2.990 -10.960 8.313 1.00 0.00 C ATOM 441 CG LYS A 30 -1.666 -10.706 9.015 1.00 0.00 C ATOM 442 CD LYS A 30 -1.802 -9.651 10.100 1.00 0.00 C ATOM 443 CE LYS A 30 -1.738 -8.245 9.522 1.00 0.00 C ATOM 444 NZ LYS A 30 -1.323 -8.250 8.093 1.00 0.00 N ATOM 0 H LYS A 30 -0.900 -11.389 6.833 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.332 -12.908 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.374 -10.016 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.714 -11.325 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.302 -11.635 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.922 -10.385 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.748 -9.787 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.008 -9.780 10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.715 -7.770 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.036 -7.646 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.357 -7.280 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.353 -8.618 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.968 -8.855 7.546 1.00 0.00 H new ATOM 458 N GLU A 31 -4.611 -12.181 5.474 1.00 0.00 N ATOM 459 CA GLU A 31 -5.384 -11.742 4.329 1.00 0.00 C ATOM 460 C GLU A 31 -5.845 -10.307 4.538 1.00 0.00 C ATOM 461 O GLU A 31 -6.505 -9.996 5.529 1.00 0.00 O ATOM 462 CB GLU A 31 -6.595 -12.653 4.123 1.00 0.00 C ATOM 463 CG GLU A 31 -7.623 -12.559 5.237 1.00 0.00 C ATOM 464 CD GLU A 31 -7.171 -13.246 6.510 1.00 0.00 C ATOM 465 OE1 GLU A 31 -6.104 -12.870 7.040 1.00 0.00 O ATOM 466 OE2 GLU A 31 -7.881 -14.163 6.975 1.00 0.00 O ATOM 0 H GLU A 31 -4.874 -13.093 5.847 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.754 -11.792 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.073 -12.400 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.253 -13.685 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.828 -11.510 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.559 -13.005 4.901 1.00 0.00 H new ATOM 473 N GLY A 32 -5.494 -9.435 3.603 1.00 0.00 N ATOM 474 CA GLY A 32 -5.888 -8.050 3.712 1.00 0.00 C ATOM 475 C GLY A 32 -4.814 -7.176 4.322 1.00 0.00 C ATOM 476 O GLY A 32 -5.120 -6.135 4.890 1.00 0.00 O ATOM 0 H GLY A 32 -4.945 -9.664 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.139 -7.670 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.792 -7.982 4.318 1.00 0.00 H new ATOM 480 N ALA A 33 -3.554 -7.570 4.216 1.00 0.00 N ATOM 481 CA ALA A 33 -2.505 -6.741 4.796 1.00 0.00 C ATOM 482 C ALA A 33 -2.091 -5.651 3.822 1.00 0.00 C ATOM 483 O ALA A 33 -1.586 -5.936 2.737 1.00 0.00 O ATOM 484 CB ALA A 33 -1.307 -7.598 5.177 1.00 0.00 C ATOM 0 H ALA A 33 -3.239 -8.423 3.754 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.894 -6.267 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.531 -6.967 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.613 -8.347 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.918 -8.095 4.288 1.00 0.00 H new ATOM 490 N PHE A 34 -2.304 -4.395 4.214 1.00 0.00 N ATOM 491 CA PHE A 34 -1.935 -3.277 3.358 1.00 0.00 C ATOM 492 C PHE A 34 -1.024 -2.269 4.047 1.00 0.00 C ATOM 493 O PHE A 34 -0.975 -2.184 5.276 1.00 0.00 O ATOM 494 CB PHE A 34 -3.170 -2.571 2.800 1.00 0.00 C ATOM 495 CG PHE A 34 -4.158 -2.115 3.832 1.00 0.00 C ATOM 496 CD1 PHE A 34 -3.842 -1.113 4.734 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.424 -2.669 3.873 1.00 0.00 C ATOM 498 CE1 PHE A 34 -4.768 -0.679 5.654 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.350 -2.239 4.798 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.024 -1.242 5.690 1.00 0.00 C ATOM 0 H PHE A 34 -2.724 -4.132 5.106 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.369 -3.711 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.846 -1.706 2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.675 -3.246 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.858 -0.668 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.690 -3.447 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.509 0.105 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.333 -2.685 4.824 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.750 -0.903 6.414 1.00 0.00 H new ATOM 510 N MET A 35 -0.333 -1.487 3.229 1.00 0.00 N ATOM 511 CA MET A 35 0.563 -0.440 3.713 1.00 0.00 C ATOM 512 C MET A 35 0.670 0.660 2.665 1.00 0.00 C ATOM 513 O MET A 35 0.613 0.384 1.471 1.00 0.00 O ATOM 514 CB MET A 35 1.948 -1.004 4.024 1.00 0.00 C ATOM 515 CG MET A 35 2.010 -2.516 3.969 1.00 0.00 C ATOM 516 SD MET A 35 1.706 -3.281 5.572 1.00 0.00 S ATOM 517 CE MET A 35 0.257 -4.266 5.206 1.00 0.00 C ATOM 0 H MET A 35 -0.376 -1.558 2.212 1.00 0.00 H new ATOM 0 HA MET A 35 0.152 -0.029 4.635 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.667 -0.593 3.315 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.253 -0.671 5.016 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.275 -2.880 3.252 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.990 -2.823 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.535 -4.025 5.915 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.084 -4.050 4.193 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.506 -5.324 5.287 1.00 0.00 H new ATOM 527 N VAL A 36 0.817 1.906 3.097 1.00 0.00 N ATOM 528 CA VAL A 36 0.916 3.006 2.153 1.00 0.00 C ATOM 529 C VAL A 36 2.258 3.716 2.273 1.00 0.00 C ATOM 530 O VAL A 36 2.762 3.928 3.373 1.00 0.00 O ATOM 531 CB VAL A 36 -0.223 4.026 2.349 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.468 3.591 1.596 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.519 4.212 3.828 1.00 0.00 C ATOM 0 H VAL A 36 0.869 2.175 4.079 1.00 0.00 H new ATOM 0 HA VAL A 36 0.830 2.574 1.156 1.00 0.00 H new ATOM 0 HB VAL A 36 0.097 4.985 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.260 4.325 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.242 3.515 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.797 2.620 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.325 4.935 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.819 3.258 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.375 4.576 4.335 1.00 0.00 H new ATOM 543 N ARG A 37 2.835 4.073 1.132 1.00 0.00 N ATOM 544 CA ARG A 37 4.118 4.753 1.106 1.00 0.00 C ATOM 545 C ARG A 37 4.009 6.100 0.400 1.00 0.00 C ATOM 546 O ARG A 37 3.279 6.241 -0.583 1.00 0.00 O ATOM 547 CB ARG A 37 5.167 3.883 0.410 1.00 0.00 C ATOM 548 CG ARG A 37 5.467 4.313 -1.015 1.00 0.00 C ATOM 549 CD ARG A 37 6.683 5.222 -1.080 1.00 0.00 C ATOM 550 NE ARG A 37 7.855 4.530 -1.608 1.00 0.00 N ATOM 551 CZ ARG A 37 8.734 3.888 -0.847 1.00 0.00 C ATOM 552 NH1 ARG A 37 8.574 3.850 0.468 1.00 0.00 N ATOM 553 NH2 ARG A 37 9.776 3.282 -1.402 1.00 0.00 N ATOM 0 H ARG A 37 2.431 3.901 0.211 1.00 0.00 H new ATOM 0 HA ARG A 37 4.427 4.929 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.090 3.908 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.822 2.849 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.637 3.432 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.602 4.831 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.458 6.084 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.905 5.602 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 37 8.007 4.540 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.774 4.315 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.251 3.356 1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.902 3.309 -2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.451 2.789 -0.817 1.00 0.00 H new ATOM 567 N ASP A 38 4.740 7.087 0.911 1.00 0.00 N ATOM 568 CA ASP A 38 4.732 8.425 0.332 1.00 0.00 C ATOM 569 C ASP A 38 5.349 8.412 -1.061 1.00 0.00 C ATOM 570 O ASP A 38 6.559 8.243 -1.214 1.00 0.00 O ATOM 571 CB ASP A 38 5.495 9.399 1.233 1.00 0.00 C ATOM 572 CG ASP A 38 6.719 9.978 0.551 1.00 0.00 C ATOM 573 OD1 ASP A 38 7.793 9.345 0.621 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.603 11.065 -0.053 1.00 0.00 O ATOM 0 H ASP A 38 5.345 6.984 1.725 1.00 0.00 H new ATOM 0 HA ASP A 38 3.696 8.755 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.831 10.210 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.799 8.884 2.144 1.00 0.00 H new ATOM 663 N TYR A 45 -0.134 8.659 -2.093 1.00 0.00 N ATOM 664 CA TYR A 45 0.509 7.584 -1.348 1.00 0.00 C ATOM 665 C TYR A 45 0.331 6.234 -2.037 1.00 0.00 C ATOM 666 O TYR A 45 -0.720 5.953 -2.612 1.00 0.00 O ATOM 667 CB TYR A 45 -0.055 7.522 0.071 1.00 0.00 C ATOM 668 CG TYR A 45 0.191 8.781 0.871 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.465 9.096 1.331 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.846 9.656 1.162 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.694 10.247 2.059 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.624 10.809 1.889 1.00 0.00 C ATOM 673 CZ TYR A 45 0.648 11.101 2.336 1.00 0.00 C ATOM 674 OH TYR A 45 0.874 12.249 3.060 1.00 0.00 O ATOM 0 HA TYR A 45 1.577 7.800 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.128 7.337 0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.390 6.675 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.288 8.430 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.843 9.432 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.689 10.477 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.443 11.479 2.107 1.00 0.00 H new ATOM 0 HH TYR A 45 0.032 12.740 3.166 1.00 0.00 H new ATOM 684 N THR A 46 1.359 5.394 -1.964 1.00 0.00 N ATOM 685 CA THR A 46 1.304 4.066 -2.568 1.00 0.00 C ATOM 686 C THR A 46 0.930 3.038 -1.507 1.00 0.00 C ATOM 687 O THR A 46 1.517 3.019 -0.427 1.00 0.00 O ATOM 688 CB THR A 46 2.647 3.711 -3.204 1.00 0.00 C ATOM 689 OG1 THR A 46 2.500 3.476 -4.593 1.00 0.00 O ATOM 690 CG2 THR A 46 3.293 2.483 -2.600 1.00 0.00 C ATOM 0 H THR A 46 2.238 5.608 -1.494 1.00 0.00 H new ATOM 0 HA THR A 46 0.546 4.063 -3.351 1.00 0.00 H new ATOM 0 HB THR A 46 3.289 4.571 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.372 3.252 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.243 2.289 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.469 2.650 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.634 1.625 -2.728 1.00 0.00 H new ATOM 698 N VAL A 47 -0.072 2.209 -1.798 1.00 0.00 N ATOM 699 CA VAL A 47 -0.533 1.225 -0.831 1.00 0.00 C ATOM 700 C VAL A 47 -0.191 -0.216 -1.212 1.00 0.00 C ATOM 701 O VAL A 47 -0.493 -0.675 -2.316 1.00 0.00 O ATOM 702 CB VAL A 47 -2.056 1.329 -0.619 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.775 0.207 -1.350 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.393 1.310 0.865 1.00 0.00 C ATOM 0 H VAL A 47 -0.573 2.202 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.001 1.461 0.091 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.397 2.278 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.849 0.297 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.562 0.273 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.430 -0.755 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.473 1.384 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.038 0.379 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.910 2.153 1.359 1.00 0.00 H new ATOM 714 N SER A 48 0.397 -0.929 -0.254 1.00 0.00 N ATOM 715 CA SER A 48 0.749 -2.334 -0.418 1.00 0.00 C ATOM 716 C SER A 48 -0.285 -3.181 0.312 1.00 0.00 C ATOM 717 O SER A 48 -0.430 -3.061 1.528 1.00 0.00 O ATOM 718 CB SER A 48 2.154 -2.611 0.138 1.00 0.00 C ATOM 719 OG SER A 48 2.670 -3.831 -0.367 1.00 0.00 O ATOM 0 H SER A 48 0.643 -0.546 0.659 1.00 0.00 H new ATOM 0 HA SER A 48 0.755 -2.587 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.822 -1.792 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.117 -2.651 1.227 1.00 0.00 H new ATOM 0 HG SER A 48 3.572 -3.683 -0.720 1.00 0.00 H new ATOM 725 N VAL A 49 -1.022 -4.007 -0.436 1.00 0.00 N ATOM 726 CA VAL A 49 -2.061 -4.842 0.149 1.00 0.00 C ATOM 727 C VAL A 49 -1.813 -6.322 -0.105 1.00 0.00 C ATOM 728 O VAL A 49 -1.389 -6.723 -1.192 1.00 0.00 O ATOM 729 CB VAL A 49 -3.448 -4.472 -0.393 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.486 -4.471 0.721 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.390 -3.123 -1.091 1.00 0.00 C ATOM 0 H VAL A 49 -0.915 -4.111 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.029 -4.658 1.223 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.751 -5.225 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.460 -4.206 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.539 -5.463 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.203 -3.744 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.379 -2.868 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.067 -2.360 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.683 -3.172 -1.919 1.00 0.00 H new ATOM 741 N PHE A 50 -2.085 -7.128 0.910 1.00 0.00 N ATOM 742 CA PHE A 50 -1.893 -8.566 0.814 1.00 0.00 C ATOM 743 C PHE A 50 -3.152 -9.332 1.207 1.00 0.00 C ATOM 744 O PHE A 50 -3.700 -9.128 2.298 1.00 0.00 O ATOM 745 CB PHE A 50 -0.725 -8.993 1.696 1.00 0.00 C ATOM 746 CG PHE A 50 -0.913 -10.337 2.328 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.477 -11.384 1.616 1.00 0.00 C ATOM 748 CD2 PHE A 50 -0.519 -10.553 3.633 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.645 -12.623 2.202 1.00 0.00 C ATOM 750 CE2 PHE A 50 -0.684 -11.785 4.225 1.00 0.00 C ATOM 751 CZ PHE A 50 -1.247 -12.825 3.510 1.00 0.00 C ATOM 0 H PHE A 50 -2.440 -6.809 1.811 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.672 -8.804 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.186 -9.006 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.581 -8.249 2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.788 -11.229 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.076 -9.746 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.086 -13.432 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.374 -11.939 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.376 -13.793 3.972 1.00 0.00 H new ATOM 761 N THR A 51 -3.589 -10.225 0.317 1.00 0.00 N ATOM 762 CA THR A 51 -4.768 -11.046 0.549 1.00 0.00 C ATOM 763 C THR A 51 -4.378 -12.511 0.717 1.00 0.00 C ATOM 764 O THR A 51 -3.499 -13.012 0.014 1.00 0.00 O ATOM 765 CB THR A 51 -5.764 -10.896 -0.603 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.647 -12.003 -0.648 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.103 -10.782 -1.957 1.00 0.00 C ATOM 0 H THR A 51 -3.134 -10.395 -0.580 1.00 0.00 H new ATOM 0 HA THR A 51 -5.244 -10.704 1.468 1.00 0.00 H new ATOM 0 HB THR A 51 -6.300 -9.969 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.678 -12.360 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.867 -10.678 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.452 -9.908 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.512 -11.677 -2.150 1.00 0.00 H new ATOM 775 N LYS A 52 -5.030 -13.192 1.652 1.00 0.00 N ATOM 776 CA LYS A 52 -4.745 -14.598 1.913 1.00 0.00 C ATOM 777 C LYS A 52 -5.863 -15.496 1.394 1.00 0.00 C ATOM 778 O LYS A 52 -6.988 -15.460 1.894 1.00 0.00 O ATOM 779 CB LYS A 52 -4.545 -14.829 3.411 1.00 0.00 C ATOM 780 CG LYS A 52 -3.430 -15.812 3.732 1.00 0.00 C ATOM 781 CD LYS A 52 -3.618 -17.128 2.998 1.00 0.00 C ATOM 782 CE LYS A 52 -4.828 -17.888 3.519 1.00 0.00 C ATOM 783 NZ LYS A 52 -4.727 -19.348 3.248 1.00 0.00 N ATOM 0 H LYS A 52 -5.760 -12.793 2.242 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.828 -14.856 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.326 -13.875 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.477 -15.196 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.469 -15.376 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.403 -15.994 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.738 -16.937 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.724 -17.741 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.925 -17.724 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.732 -17.494 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.299 -19.870 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.077 -19.548 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.734 -19.647 3.323 1.00 0.00 H new ATOM 797 N ALA A 53 -5.542 -16.303 0.389 1.00 0.00 N ATOM 798 CA ALA A 53 -6.505 -17.216 -0.202 1.00 0.00 C ATOM 799 C ALA A 53 -6.275 -18.643 0.289 1.00 0.00 C ATOM 800 O ALA A 53 -5.157 -19.013 0.645 1.00 0.00 O ATOM 801 CB ALA A 53 -6.428 -17.157 -1.719 1.00 0.00 C ATOM 0 H ALA A 53 -4.615 -16.341 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.503 -16.907 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.155 -17.847 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.647 -16.144 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.426 -17.439 -2.044 1.00 0.00 H new ATOM 885 N PRO A 59 -3.429 -17.281 -2.422 1.00 0.00 N ATOM 886 CA PRO A 59 -3.103 -16.057 -1.685 1.00 0.00 C ATOM 887 C PRO A 59 -2.207 -15.120 -2.484 1.00 0.00 C ATOM 888 O PRO A 59 -0.984 -15.262 -2.480 1.00 0.00 O ATOM 889 CB PRO A 59 -2.370 -16.559 -0.433 1.00 0.00 C ATOM 890 CG PRO A 59 -2.007 -17.975 -0.729 1.00 0.00 C ATOM 891 CD PRO A 59 -3.058 -18.486 -1.671 1.00 0.00 C ATOM 0 HA PRO A 59 -3.998 -15.477 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.482 -15.960 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.007 -16.493 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.016 -18.037 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.980 -18.569 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.671 -19.268 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.909 -18.909 -1.138 1.00 0.00 H new ATOM 899 N CYS A 60 -2.821 -14.160 -3.167 1.00 0.00 N ATOM 900 CA CYS A 60 -2.075 -13.199 -3.968 1.00 0.00 C ATOM 901 C CYS A 60 -2.108 -11.817 -3.323 1.00 0.00 C ATOM 902 O CYS A 60 -3.162 -11.191 -3.222 1.00 0.00 O ATOM 903 CB CYS A 60 -2.651 -13.128 -5.383 1.00 0.00 C ATOM 904 SG CYS A 60 -1.510 -13.684 -6.670 1.00 0.00 S ATOM 0 H CYS A 60 -3.832 -14.027 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.039 -13.532 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.556 -13.735 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.946 -12.100 -5.593 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.086 -13.590 -7.831 1.00 0.00 H new ATOM 910 N ILE A 61 -0.943 -11.346 -2.896 1.00 0.00 N ATOM 911 CA ILE A 61 -0.826 -10.037 -2.264 1.00 0.00 C ATOM 912 C ILE A 61 -0.424 -8.983 -3.291 1.00 0.00 C ATOM 913 O ILE A 61 0.380 -9.257 -4.181 1.00 0.00 O ATOM 914 CB ILE A 61 0.201 -10.075 -1.117 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.277 -9.014 -1.319 1.00 0.00 C ATOM 916 CG2 ILE A 61 0.827 -11.457 -1.016 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.988 -8.630 -0.039 1.00 0.00 C ATOM 0 H ILE A 61 -0.062 -11.853 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.799 -9.772 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.318 -9.858 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.010 -9.382 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.823 -8.124 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.551 -11.470 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.049 -12.195 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.330 -11.698 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.741 -7.871 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.265 -8.232 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.471 -9.509 0.387 1.00 0.00 H new ATOM 929 N LYS A 62 -1.000 -7.784 -3.189 1.00 0.00 N ATOM 930 CA LYS A 62 -0.690 -6.727 -4.148 1.00 0.00 C ATOM 931 C LYS A 62 -0.647 -5.341 -3.509 1.00 0.00 C ATOM 932 O LYS A 62 -1.317 -5.066 -2.511 1.00 0.00 O ATOM 933 CB LYS A 62 -1.713 -6.736 -5.284 1.00 0.00 C ATOM 934 CG LYS A 62 -1.099 -6.515 -6.658 1.00 0.00 C ATOM 935 CD LYS A 62 -1.964 -5.606 -7.515 1.00 0.00 C ATOM 936 CE LYS A 62 -3.358 -6.179 -7.706 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.418 -5.172 -7.425 1.00 0.00 N ATOM 0 H LYS A 62 -1.671 -7.525 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 62 0.307 -6.935 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.240 -7.690 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.456 -5.961 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.107 -6.077 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.970 -7.475 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.035 -4.624 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.492 -5.464 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.464 -6.541 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.490 -7.038 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.349 -5.636 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.253 -4.746 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.394 -4.430 -8.153 1.00 0.00 H new ATOM 951 N HIS A 63 0.145 -4.466 -4.119 1.00 0.00 N ATOM 952 CA HIS A 63 0.291 -3.092 -3.662 1.00 0.00 C ATOM 953 C HIS A 63 -0.137 -2.123 -4.761 1.00 0.00 C ATOM 954 O HIS A 63 0.335 -2.219 -5.894 1.00 0.00 O ATOM 955 CB HIS A 63 1.744 -2.820 -3.264 1.00 0.00 C ATOM 956 CG HIS A 63 2.745 -3.425 -4.200 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.012 -3.140 -5.499 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.606 -4.441 -3.850 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 4.032 -3.973 -5.950 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 4.354 -4.734 -4.921 1.00 0.00 N flip ATOM 0 H HIS A 63 0.703 -4.690 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.348 -2.944 -2.792 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.905 -1.743 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.916 -3.209 -2.260 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.540 -2.428 -6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.667 -4.917 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.469 -3.992 -6.937 1.00 0.00 H new ATOM 968 N TYR A 64 -1.019 -1.184 -4.432 1.00 0.00 N ATOM 969 CA TYR A 64 -1.474 -0.210 -5.417 1.00 0.00 C ATOM 970 C TYR A 64 -1.122 1.206 -4.987 1.00 0.00 C ATOM 971 O TYR A 64 -1.258 1.569 -3.818 1.00 0.00 O ATOM 972 CB TYR A 64 -2.983 -0.312 -5.660 1.00 0.00 C ATOM 973 CG TYR A 64 -3.705 -1.263 -4.734 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.478 -2.631 -4.798 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.621 -0.792 -3.801 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.143 -3.504 -3.958 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.289 -1.655 -2.961 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.048 -3.011 -3.041 1.00 0.00 C ATOM 979 OH TYR A 64 -5.712 -3.876 -2.203 1.00 0.00 O ATOM 0 H TYR A 64 -1.428 -1.077 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.959 -0.439 -6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.423 0.680 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.152 -0.629 -6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.770 -3.019 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.812 0.269 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.955 -4.566 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.999 -1.272 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.941 -4.694 -2.692 1.00 0.00 H new ATOM 989 N HIS A 65 -0.670 2.003 -5.946 1.00 0.00 N ATOM 990 CA HIS A 65 -0.305 3.377 -5.683 1.00 0.00 C ATOM 991 C HIS A 65 -1.548 4.258 -5.635 1.00 0.00 C ATOM 992 O HIS A 65 -2.245 4.413 -6.637 1.00 0.00 O ATOM 993 CB HIS A 65 0.643 3.889 -6.762 1.00 0.00 C ATOM 994 CG HIS A 65 0.712 5.376 -6.803 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.489 6.131 -7.931 1.00 0.00 N ATOM 996 CD2 HIS A 65 0.963 6.251 -5.805 1.00 0.00 C ATOM 997 CE1 HIS A 65 0.607 7.420 -7.588 1.00 0.00 C ATOM 998 NE2 HIS A 65 0.896 7.547 -6.307 1.00 0.00 N ATOM 0 H HIS A 65 -0.549 1.714 -6.917 1.00 0.00 H new ATOM 0 HA HIS A 65 0.198 3.418 -4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.641 3.487 -6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.317 3.517 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.181 5.987 -4.781 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.482 8.247 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.040 8.415 -5.791 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.823 4.835 -4.470 1.00 0.00 N ATOM 1007 CA ILE A 66 -2.985 5.699 -4.320 1.00 0.00 C ATOM 1008 C ILE A 66 -2.941 6.828 -5.341 1.00 0.00 C ATOM 1009 O ILE A 66 -1.992 7.611 -5.378 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.076 6.292 -2.900 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -2.986 5.180 -1.849 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.370 7.076 -2.737 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.118 3.783 -2.423 1.00 0.00 C ATOM 0 H ILE A 66 -1.263 4.721 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.870 5.086 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.238 6.973 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.031 5.260 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.768 5.332 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.421 7.489 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.398 7.888 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.220 6.413 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.044 3.051 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.084 3.683 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.321 3.610 -3.146 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.967 6.893 -6.179 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.043 7.911 -7.217 1.00 0.00 C ATOM 1027 C LYS A 67 -4.654 9.200 -6.684 1.00 0.00 C ATOM 1028 O LYS A 67 -5.553 9.172 -5.836 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.866 7.400 -8.399 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.626 5.934 -8.718 1.00 0.00 C ATOM 1031 CD LYS A 67 -3.279 5.722 -9.390 1.00 0.00 C ATOM 1032 CE LYS A 67 -3.335 4.596 -10.410 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.571 4.657 -11.238 1.00 0.00 N ATOM 0 H LYS A 67 -4.759 6.251 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.027 8.125 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.924 7.548 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.632 7.998 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.671 5.349 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.420 5.568 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.967 6.644 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.527 5.493 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.461 4.650 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.291 3.637 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.382 4.247 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.328 4.118 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.867 5.648 -11.347 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.155 10.326 -7.191 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.634 11.641 -6.782 1.00 0.00 C ATOM 1049 C GLU A 68 -5.433 12.303 -7.899 1.00 0.00 C ATOM 1050 O GLU A 68 -5.339 11.909 -9.062 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.458 12.536 -6.394 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.033 12.389 -4.944 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.246 13.584 -4.442 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.425 14.689 -4.999 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -1.451 13.418 -3.495 1.00 0.00 O ATOM 0 H GLU A 68 -3.413 10.351 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.286 11.507 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.609 12.305 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.727 13.576 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.918 12.254 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.428 11.489 -4.836 1.00 0.00 H new ATOM 1062 N THR A 69 -6.212 13.319 -7.540 1.00 0.00 N ATOM 1063 CA THR A 69 -7.018 14.040 -8.512 1.00 0.00 C ATOM 1064 C THR A 69 -6.931 15.546 -8.284 1.00 0.00 C ATOM 1065 O THR A 69 -5.898 16.058 -7.853 1.00 0.00 O ATOM 1066 CB THR A 69 -8.476 13.583 -8.439 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.242 14.474 -7.648 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.639 12.196 -7.856 1.00 0.00 C ATOM 0 H THR A 69 -6.300 13.659 -6.583 1.00 0.00 H new ATOM 0 HA THR A 69 -6.626 13.819 -9.505 1.00 0.00 H new ATOM 0 HB THR A 69 -8.827 13.570 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.172 14.166 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.697 11.933 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.100 11.477 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.238 12.178 -6.843 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.180 13.633 -3.302 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.316 13.297 -4.430 1.00 0.00 C ATOM 1151 C ARG A 75 -7.507 12.012 -4.265 1.00 0.00 C ATOM 1152 O ARG A 75 -6.390 11.936 -4.766 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.347 14.428 -4.725 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.396 15.576 -3.730 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.076 15.730 -2.990 1.00 0.00 C ATOM 1156 NE ARG A 75 -5.364 14.462 -2.868 1.00 0.00 N ATOM 1157 CZ ARG A 75 -4.107 14.360 -2.450 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -3.424 15.451 -2.128 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -3.531 13.170 -2.356 1.00 0.00 N ATOM 0 HA ARG A 75 -9.009 13.136 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.334 14.025 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.556 14.818 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.631 16.503 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.198 15.403 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.448 16.449 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.263 16.137 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.859 13.606 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.864 16.368 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.459 15.372 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.053 12.330 -2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.566 13.095 -2.035 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.023 11.008 -3.576 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.256 9.785 -3.407 1.00 0.00 C ATOM 1175 C TYR A 76 -7.998 8.569 -3.901 1.00 0.00 C ATOM 1176 O TYR A 76 -9.129 8.306 -3.503 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.877 9.615 -1.956 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.301 10.873 -1.397 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.970 12.073 -1.543 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.092 10.865 -0.742 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.452 13.240 -1.043 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -4.553 12.021 -0.230 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.238 13.216 -0.379 1.00 0.00 C ATOM 1184 OH TYR A 76 -4.707 14.380 0.128 1.00 0.00 O ATOM 0 H TYR A 76 -8.943 11.012 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.355 9.876 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.756 9.327 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.153 8.806 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.918 12.092 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.557 9.934 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.987 14.170 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.604 11.998 0.284 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.851 14.186 0.565 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.341 7.818 -4.768 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.944 6.615 -5.308 1.00 0.00 C ATOM 1196 C TYR A 77 -6.914 5.591 -5.731 1.00 0.00 C ATOM 1197 O TYR A 77 -5.936 5.910 -6.404 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.813 6.943 -6.519 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.062 7.605 -7.654 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.566 8.896 -7.522 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.854 6.942 -8.859 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.884 9.506 -8.557 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.172 7.547 -9.898 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.691 8.829 -9.742 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.012 9.435 -10.775 1.00 0.00 O ATOM 0 H TYR A 77 -6.401 8.018 -5.109 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.548 6.194 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.269 6.023 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.625 7.598 -6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.716 9.431 -6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.232 5.938 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.503 10.510 -8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.017 7.018 -10.827 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.684 10.310 -10.482 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.189 4.344 -5.395 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.339 3.250 -5.802 1.00 0.00 C ATOM 1217 C VAL A 78 -7.168 2.362 -6.714 1.00 0.00 C ATOM 1218 O VAL A 78 -7.289 1.151 -6.527 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.832 2.460 -4.581 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.737 3.381 -3.370 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.743 1.281 -4.289 1.00 0.00 C ATOM 0 H VAL A 78 -7.998 4.067 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.456 3.623 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.839 2.070 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.378 2.816 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.044 4.194 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.722 3.793 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.367 0.736 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.750 1.642 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.767 0.617 -5.153 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.747 3.029 -7.704 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.608 2.415 -8.701 1.00 0.00 C ATOM 1233 C ALA A 79 -9.164 3.513 -9.603 1.00 0.00 C ATOM 1234 O ALA A 79 -9.127 4.685 -9.240 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.724 1.627 -8.038 1.00 0.00 C ATOM 0 H ALA A 79 -7.627 4.033 -7.837 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.034 1.710 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.356 1.176 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.295 0.843 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.324 2.295 -7.420 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.661 3.156 -10.774 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.190 4.155 -11.692 1.00 0.00 C ATOM 1243 C GLU A 80 -11.654 4.460 -11.431 1.00 0.00 C ATOM 1244 O GLU A 80 -12.517 4.241 -12.282 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.986 3.719 -13.143 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.053 2.530 -13.296 1.00 0.00 C ATOM 1247 CD GLU A 80 -7.991 2.753 -14.355 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.037 3.514 -14.087 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.112 2.167 -15.451 1.00 0.00 O ATOM 0 H GLU A 80 -9.710 2.195 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.632 5.075 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.954 3.469 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.588 4.558 -13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.570 2.327 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.637 1.646 -13.553 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.910 4.997 -10.252 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.257 5.381 -9.856 1.00 0.00 C ATOM 1258 C LYS A 81 -13.352 5.554 -8.342 1.00 0.00 C ATOM 1259 O LYS A 81 -14.297 6.158 -7.834 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.281 4.355 -10.354 1.00 0.00 C ATOM 1261 CG LYS A 81 -13.987 2.929 -9.926 1.00 0.00 C ATOM 1262 CD LYS A 81 -14.846 2.530 -8.743 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.643 3.484 -7.583 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.193 2.943 -6.309 1.00 0.00 N ATOM 0 H LYS A 81 -11.198 5.179 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.486 6.341 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.269 4.636 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.320 4.396 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.171 2.250 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.933 2.834 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.896 2.525 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.597 1.515 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.579 3.685 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.123 4.436 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.456 3.730 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.034 2.366 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.473 2.355 -5.842 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.363 5.023 -7.626 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.331 5.122 -6.168 1.00 0.00 C ATOM 1280 C TYR A 82 -11.488 6.317 -5.724 1.00 0.00 C ATOM 1281 O TYR A 82 -10.385 6.146 -5.210 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.762 3.839 -5.553 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.333 2.563 -6.132 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.116 2.219 -7.460 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.081 1.695 -5.347 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.628 1.051 -7.989 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.598 0.526 -5.868 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.368 0.208 -7.190 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.881 -0.958 -7.713 1.00 0.00 O ATOM 0 H TYR A 82 -11.574 4.520 -8.031 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.355 5.262 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.681 3.834 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.948 3.852 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.536 2.877 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.261 1.939 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.449 0.800 -9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.180 -0.136 -5.244 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.329 -1.248 -8.469 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.023 7.522 -5.908 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.334 8.739 -5.521 1.00 0.00 C ATOM 1301 C VAL A 83 -11.858 9.214 -4.180 1.00 0.00 C ATOM 1302 O VAL A 83 -13.067 9.290 -3.968 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.521 9.840 -6.583 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.919 11.152 -6.108 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.911 9.407 -7.910 1.00 0.00 C ATOM 0 H VAL A 83 -12.940 7.676 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.268 8.525 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.589 9.997 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.062 11.916 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.410 11.465 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.853 11.018 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.051 10.195 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.845 9.220 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.399 8.495 -8.255 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.948 9.508 -3.264 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.349 9.941 -1.935 1.00 0.00 C ATOM 1317 C PHE A 84 -10.357 10.940 -1.338 1.00 0.00 C ATOM 1318 O PHE A 84 -9.179 10.938 -1.685 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.493 8.732 -1.014 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.002 7.506 -1.715 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.159 6.744 -2.506 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.325 7.116 -1.584 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.624 5.616 -3.152 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.797 5.990 -2.228 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.945 5.238 -3.013 1.00 0.00 C ATOM 0 H PHE A 84 -9.940 9.456 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.310 10.446 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.525 8.509 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.172 8.984 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.125 7.036 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.995 7.700 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.956 5.030 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.831 5.698 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.311 4.356 -3.517 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.847 11.788 -0.434 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.016 12.792 0.221 1.00 0.00 C ATOM 1337 C ASP A 85 -9.214 12.199 1.372 1.00 0.00 C ATOM 1338 O ASP A 85 -8.554 12.926 2.114 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.885 13.939 0.743 1.00 0.00 C ATOM 1340 CG ASP A 85 -11.054 13.899 2.248 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -10.222 14.503 2.956 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -12.020 13.263 2.720 1.00 0.00 O ATOM 0 H ASP A 85 -11.823 11.797 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.314 13.169 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.437 14.890 0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.865 13.893 0.269 1.00 0.00 H new ATOM 1347 N SER A 86 -9.273 10.883 1.528 1.00 0.00 N ATOM 1348 CA SER A 86 -8.550 10.225 2.604 1.00 0.00 C ATOM 1349 C SER A 86 -8.107 8.823 2.206 1.00 0.00 C ATOM 1350 O SER A 86 -8.906 7.999 1.750 1.00 0.00 O ATOM 1351 CB SER A 86 -9.409 10.164 3.867 1.00 0.00 C ATOM 1352 OG SER A 86 -10.630 10.861 3.687 1.00 0.00 O ATOM 0 H SER A 86 -9.809 10.256 0.928 1.00 0.00 H new ATOM 0 HA SER A 86 -7.657 10.815 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.614 9.124 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.861 10.595 4.705 1.00 0.00 H new ATOM 0 HG SER A 86 -11.162 10.806 4.508 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.827 8.550 2.394 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.282 7.260 2.068 1.00 0.00 C ATOM 1360 C ILE A 87 -6.968 6.170 2.884 1.00 0.00 C ATOM 1361 O ILE A 87 -7.324 5.120 2.353 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.767 7.214 2.317 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.176 8.623 2.383 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.084 6.419 1.215 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -4.224 9.347 1.064 1.00 0.00 C ATOM 0 H ILE A 87 -6.150 9.213 2.773 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.463 7.085 1.007 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.595 6.726 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.719 9.203 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.141 8.561 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.010 6.391 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.477 5.402 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.275 6.893 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.790 10.340 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.657 8.787 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.260 9.439 0.737 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.198 6.418 4.188 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.875 5.456 5.062 1.00 0.00 C ATOM 1379 C PRO A 88 -9.303 5.230 4.607 1.00 0.00 C ATOM 1380 O PRO A 88 -9.751 4.090 4.479 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.849 6.128 6.433 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.708 7.578 6.134 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.852 7.657 4.902 1.00 0.00 C ATOM 0 HA PRO A 88 -7.396 4.477 5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.762 5.925 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.018 5.765 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.681 8.039 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.245 8.106 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.077 8.543 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.791 7.700 5.148 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.008 6.321 4.321 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.367 6.216 3.833 1.00 0.00 C ATOM 1393 C LEU A 89 -11.314 5.511 2.500 1.00 0.00 C ATOM 1394 O LEU A 89 -12.065 4.571 2.242 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.022 7.593 3.716 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.334 8.078 2.295 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.074 8.599 1.624 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.965 6.969 1.465 1.00 0.00 C ATOM 0 H LEU A 89 -9.660 7.275 4.419 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.980 5.648 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.952 7.579 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.368 8.324 4.191 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.053 8.894 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.313 8.939 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.671 9.431 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.333 7.801 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.176 7.340 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.278 6.125 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.894 6.646 1.935 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.363 5.931 1.680 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.156 5.286 0.404 1.00 0.00 C ATOM 1412 C LEU A 90 -9.848 3.823 0.690 1.00 0.00 C ATOM 1413 O LEU A 90 -10.406 2.908 0.067 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.013 5.966 -0.354 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.983 5.027 -0.971 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.356 5.668 -2.199 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.914 4.671 0.050 1.00 0.00 C ATOM 0 H LEU A 90 -9.731 6.707 1.877 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.040 5.363 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.441 6.579 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.499 6.642 0.329 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.485 4.109 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.622 4.987 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.132 5.879 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.864 6.598 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.185 4.000 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.412 5.579 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.377 4.178 0.905 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.001 3.614 1.704 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.663 2.270 2.144 1.00 0.00 C ATOM 1431 C ILE A 91 -9.942 1.585 2.602 1.00 0.00 C ATOM 1432 O ILE A 91 -10.239 0.458 2.206 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.671 2.272 3.333 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.296 2.834 2.945 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.523 0.866 3.890 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.760 2.331 1.621 1.00 0.00 C ATOM 0 H ILE A 91 -8.543 4.359 2.229 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.192 1.752 1.309 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.084 2.928 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.360 3.921 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.582 2.585 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.823 0.878 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.493 0.507 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.146 0.204 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.786 2.780 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.659 1.246 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.449 2.604 0.822 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.715 2.302 3.426 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.986 1.794 3.925 1.00 0.00 C ATOM 1450 C GLN A 92 -12.936 1.562 2.770 1.00 0.00 C ATOM 1451 O GLN A 92 -13.711 0.605 2.768 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.596 2.769 4.936 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.602 3.733 4.332 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.457 4.420 5.379 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.174 3.770 6.139 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -14.385 5.745 5.425 1.00 0.00 N ATOM 0 H GLN A 92 -10.477 3.236 3.758 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.811 0.846 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.083 2.199 5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.794 3.341 5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.072 4.487 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.247 3.192 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.778 6.246 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.937 6.262 6.109 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.857 2.433 1.773 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.697 2.303 0.603 1.00 0.00 C ATOM 1467 C TYR A 93 -13.282 1.074 -0.171 1.00 0.00 C ATOM 1468 O TYR A 93 -14.115 0.255 -0.560 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.622 3.541 -0.285 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.772 3.624 -1.258 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.698 3.012 -2.502 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.936 4.304 -0.926 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.754 3.076 -3.391 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.997 4.371 -1.809 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.902 3.755 -3.040 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.955 3.820 -3.922 1.00 0.00 O ATOM 0 H TYR A 93 -12.222 3.231 1.756 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.732 2.202 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.615 4.433 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.683 3.532 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.801 2.478 -2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.013 4.788 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.681 2.597 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.896 4.903 -1.537 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.687 4.334 -3.521 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.979 0.931 -0.359 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.453 -0.232 -1.052 1.00 0.00 C ATOM 1488 C HIS A 94 -11.708 -1.460 -0.193 1.00 0.00 C ATOM 1489 O HIS A 94 -11.843 -2.575 -0.696 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.960 -0.063 -1.334 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.670 1.050 -2.286 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.020 2.206 -1.915 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -9.949 1.180 -3.604 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -8.909 2.999 -2.967 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -9.462 2.400 -4.003 1.00 0.00 N ATOM 0 H HIS A 94 -11.274 1.598 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.954 -0.348 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.437 0.123 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.565 -0.994 -1.740 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -8.678 2.417 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.459 0.459 -4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.444 3.974 -2.976 1.00 0.00 H new ATOM 1504 N GLN A 95 -11.805 -1.223 1.111 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.076 -2.278 2.073 1.00 0.00 C ATOM 1506 C GLN A 95 -13.490 -2.798 1.890 1.00 0.00 C ATOM 1507 O GLN A 95 -13.712 -3.996 1.709 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.907 -1.743 3.496 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.280 -2.740 4.451 1.00 0.00 C ATOM 1510 CD GLN A 95 -9.913 -2.300 4.936 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -9.253 -1.449 4.158 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -9.454 -2.719 5.999 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.698 -0.298 1.526 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.371 -3.093 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.291 -0.845 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.883 -1.447 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.938 -2.880 5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.192 -3.707 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.995 -3.372 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -8.533 -2.413 6.313 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.440 -1.879 1.939 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.843 -2.220 1.779 1.00 0.00 C ATOM 1523 C TYR A 96 -16.161 -2.533 0.323 1.00 0.00 C ATOM 1524 O TYR A 96 -17.057 -3.324 0.024 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.740 -1.082 2.265 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.184 -0.321 3.445 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -15.677 -0.988 4.552 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.175 1.067 3.453 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -15.175 -0.292 5.635 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -15.674 1.771 4.529 1.00 0.00 C ATOM 1531 CZ TYR A 96 -15.175 1.086 5.619 1.00 0.00 C ATOM 1532 OH TYR A 96 -14.677 1.781 6.697 1.00 0.00 O ATOM 0 H TYR A 96 -14.263 -0.886 2.089 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.038 -3.106 2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.904 -0.386 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -17.713 -1.491 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.675 -2.068 4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.567 1.605 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.785 -0.825 6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -15.672 2.851 4.519 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.907 2.730 6.609 1.00 0.00 H new ATOM 1542 N ASN A 97 -15.425 -1.893 -0.579 1.00 0.00 N ATOM 1543 CA ASN A 97 -15.623 -2.083 -2.007 1.00 0.00 C ATOM 1544 C ASN A 97 -14.708 -3.175 -2.548 1.00 0.00 C ATOM 1545 O ASN A 97 -13.623 -3.411 -2.016 1.00 0.00 O ATOM 1546 CB ASN A 97 -15.366 -0.772 -2.754 1.00 0.00 C ATOM 1547 CG ASN A 97 -16.320 0.328 -2.335 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.047 0.883 -3.159 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -16.321 0.652 -1.048 1.00 0.00 N ATOM 0 H ASN A 97 -14.682 -1.235 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.656 -2.392 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.341 -0.449 -2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.462 -0.943 -3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.941 1.387 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.702 0.166 -0.399 1.00 0.00 H new ATOM 1556 N GLY A 98 -15.151 -3.839 -3.611 1.00 0.00 N ATOM 1557 CA GLY A 98 -14.359 -4.898 -4.208 1.00 0.00 C ATOM 1558 C GLY A 98 -13.085 -4.377 -4.841 1.00 0.00 C ATOM 1559 O GLY A 98 -12.006 -4.930 -4.623 1.00 0.00 O ATOM 0 H GLY A 98 -16.045 -3.662 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.108 -5.635 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.954 -5.411 -4.964 1.00 0.00 H new ATOM 1563 N GLY A 99 -13.208 -3.311 -5.624 1.00 0.00 N ATOM 1564 CA GLY A 99 -12.049 -2.729 -6.276 1.00 0.00 C ATOM 1565 C GLY A 99 -11.215 -3.761 -7.010 1.00 0.00 C ATOM 1566 O GLY A 99 -10.951 -4.842 -6.487 1.00 0.00 O ATOM 0 H GLY A 99 -14.091 -2.839 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.378 -1.965 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.430 -2.230 -5.531 1.00 0.00 H new ATOM 1570 N GLY A 100 -10.798 -3.424 -8.226 1.00 0.00 N ATOM 1571 CA GLY A 100 -9.991 -4.340 -9.010 1.00 0.00 C ATOM 1572 C GLY A 100 -8.663 -4.652 -8.349 1.00 0.00 C ATOM 1573 O GLY A 100 -7.881 -5.456 -8.858 1.00 0.00 O ATOM 0 H GLY A 100 -11.004 -2.535 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.544 -5.267 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.811 -3.909 -9.995 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.409 -4.015 -7.210 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.167 -4.226 -6.478 1.00 0.00 C ATOM 1579 C LEU A 101 -7.193 -5.553 -5.724 1.00 0.00 C ATOM 1580 O LEU A 101 -8.252 -6.159 -5.552 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.924 -3.076 -5.496 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.184 -2.496 -4.849 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -9.142 -3.607 -4.450 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.819 -1.647 -3.639 1.00 0.00 C ATOM 0 H LEU A 101 -9.047 -3.349 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.353 -4.256 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.258 -3.427 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.402 -2.275 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.683 -1.860 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.031 -3.174 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.430 -4.175 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -8.653 -4.270 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.727 -1.242 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.296 -2.263 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.172 -0.827 -3.951 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.022 -5.997 -5.279 1.00 0.00 N ATOM 1597 CA VAL A 102 -5.909 -7.252 -4.542 1.00 0.00 C ATOM 1598 C VAL A 102 -6.787 -7.236 -3.297 1.00 0.00 C ATOM 1599 O VAL A 102 -6.532 -6.485 -2.355 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.453 -7.526 -4.125 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.154 -6.891 -2.776 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.178 -9.021 -4.093 1.00 0.00 C ATOM 0 H VAL A 102 -5.138 -5.507 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.244 -8.045 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.792 -7.075 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.120 -7.096 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.306 -5.814 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.821 -7.308 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.144 -9.194 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.846 -9.499 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.347 -9.443 -5.084 1.00 0.00 H new ATOM 1612 N THR A 103 -7.827 -8.065 -3.300 1.00 0.00 N ATOM 1613 CA THR A 103 -8.745 -8.139 -2.170 1.00 0.00 C ATOM 1614 C THR A 103 -8.823 -6.796 -1.458 1.00 0.00 C ATOM 1615 O THR A 103 -9.052 -6.729 -0.250 1.00 0.00 O ATOM 1616 CB THR A 103 -8.309 -9.230 -1.192 1.00 0.00 C ATOM 1617 OG1 THR A 103 -7.694 -10.304 -1.882 1.00 0.00 O ATOM 1618 CG2 THR A 103 -9.453 -9.800 -0.382 1.00 0.00 C ATOM 0 H THR A 103 -8.054 -8.693 -4.071 1.00 0.00 H new ATOM 0 HA THR A 103 -9.735 -8.390 -2.551 1.00 0.00 H new ATOM 0 HB THR A 103 -7.610 -8.745 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.857 -11.140 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.074 -10.569 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.918 -9.005 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.192 -10.238 -1.054 1.00 0.00 H new ATOM 1626 N ARG A 104 -8.635 -5.734 -2.226 1.00 0.00 N ATOM 1627 CA ARG A 104 -8.684 -4.374 -1.697 1.00 0.00 C ATOM 1628 C ARG A 104 -8.090 -4.303 -0.293 1.00 0.00 C ATOM 1629 O ARG A 104 -7.580 -5.291 0.232 1.00 0.00 O ATOM 1630 CB ARG A 104 -10.125 -3.869 -1.671 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.100 -4.773 -2.407 1.00 0.00 C ATOM 1632 CD ARG A 104 -11.727 -5.794 -1.473 1.00 0.00 C ATOM 1633 NE ARG A 104 -12.831 -6.511 -2.106 1.00 0.00 N ATOM 1634 CZ ARG A 104 -13.947 -6.852 -1.469 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -14.103 -6.547 -0.188 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -14.908 -7.501 -2.113 1.00 0.00 N ATOM 0 H ARG A 104 -8.445 -5.786 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.088 -3.740 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.447 -3.768 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.160 -2.874 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.883 -4.169 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.581 -5.288 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.967 -6.507 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.089 -5.291 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.741 -6.764 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.366 -6.049 0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.960 -6.810 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.791 -7.739 -3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.764 -7.762 -1.623 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.170 -3.120 0.310 1.00 0.00 N ATOM 1651 CA LEU A 105 -7.652 -2.907 1.653 1.00 0.00 C ATOM 1652 C LEU A 105 -8.504 -3.652 2.675 1.00 0.00 C ATOM 1653 O LEU A 105 -9.694 -3.384 2.811 1.00 0.00 O ATOM 1654 CB LEU A 105 -7.633 -1.414 1.979 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.585 -0.596 1.226 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.209 -0.799 1.838 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.576 -0.974 -0.246 1.00 0.00 C ATOM 0 H LEU A 105 -8.591 -2.293 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.634 -3.293 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.618 -0.999 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.464 -1.294 3.049 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.844 0.459 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.476 -0.209 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.224 -0.481 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.939 -1.854 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.824 -0.383 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.340 -2.033 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.557 -0.778 -0.678 1.00 0.00 H new ATOM 1669 N ARG A 106 -7.893 -4.598 3.380 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.607 -5.388 4.373 1.00 0.00 C ATOM 1671 C ARG A 106 -7.955 -5.293 5.751 1.00 0.00 C ATOM 1672 O ARG A 106 -8.628 -5.061 6.756 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.666 -6.849 3.930 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.926 -7.203 3.158 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.054 -7.611 4.091 1.00 0.00 C ATOM 1676 NE ARG A 106 -11.558 -8.948 3.784 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.168 -10.047 4.423 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -10.275 -9.966 5.399 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.673 -11.225 4.086 1.00 0.00 N ATOM 0 H ARG A 106 -6.906 -4.835 3.281 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.616 -4.984 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.797 -7.066 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.598 -7.489 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.239 -6.348 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.713 -8.017 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.700 -7.584 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.868 -6.890 4.014 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.247 -9.043 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.886 -9.060 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.977 -10.810 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.361 -11.289 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.373 -12.068 4.577 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.644 -5.496 5.787 1.00 0.00 N ATOM 1694 CA TYR A 107 -5.886 -5.460 7.033 1.00 0.00 C ATOM 1695 C TYR A 107 -4.701 -4.502 6.930 1.00 0.00 C ATOM 1696 O TYR A 107 -3.877 -4.612 6.019 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.382 -6.872 7.359 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.869 -7.050 8.772 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -4.310 -5.990 9.473 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.944 -8.286 9.404 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -3.843 -6.156 10.764 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -4.479 -8.459 10.694 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.930 -7.391 11.368 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.466 -7.559 12.654 1.00 0.00 O ATOM 0 H TYR A 107 -6.079 -5.689 4.960 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.541 -5.104 7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.193 -7.581 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.584 -7.128 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -4.239 -5.020 9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -5.373 -9.126 8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -3.412 -5.321 11.296 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.546 -9.426 11.171 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.603 -8.489 12.932 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.601 -3.550 7.868 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.527 -2.572 7.899 1.00 0.00 C ATOM 1716 C PRO A 108 -2.376 -2.994 8.810 1.00 0.00 C ATOM 1717 O PRO A 108 -2.336 -2.624 9.982 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.234 -1.347 8.468 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.307 -1.889 9.366 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.535 -3.336 8.980 1.00 0.00 C ATOM 0 HA PRO A 108 -3.065 -2.422 6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.540 -0.715 9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.659 -0.734 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.007 -1.814 10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.226 -1.313 9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.329 -4.010 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.567 -3.512 8.676 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.440 -3.769 8.267 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.295 -4.232 9.037 1.00 0.00 C ATOM 1730 C VAL A 109 0.936 -3.371 8.775 1.00 0.00 C ATOM 1731 O VAL A 109 1.982 -3.876 8.368 1.00 0.00 O ATOM 1732 CB VAL A 109 0.047 -5.700 8.721 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.505 -5.846 7.279 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.113 -6.215 9.676 1.00 0.00 C ATOM 0 H VAL A 109 -1.454 -4.088 7.298 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.576 -4.150 10.087 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.854 -6.299 8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.742 -6.891 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.290 -5.518 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.392 -5.235 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.343 -7.254 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.015 -5.611 9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.746 -6.149 10.700 1.00 0.00 H new ATOM 1744 N CYS A 110 0.806 -2.070 9.009 1.00 0.00 N ATOM 1745 CA CYS A 110 1.914 -1.144 8.798 1.00 0.00 C ATOM 1746 C CYS A 110 3.158 -1.611 9.546 1.00 0.00 C ATOM 1747 O CYS A 110 3.323 -1.330 10.734 1.00 0.00 O ATOM 1748 CB CYS A 110 1.527 0.262 9.253 1.00 0.00 C ATOM 1749 SG CYS A 110 2.818 1.118 10.189 1.00 0.00 S ATOM 0 H CYS A 110 -0.053 -1.633 9.344 1.00 0.00 H new ATOM 0 HA CYS A 110 2.139 -1.121 7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.272 0.858 8.377 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.629 0.199 9.868 1.00 0.00 H new ATOM 0 HG CYS A 110 3.389 0.282 11.004 1.00 0.00 H new ATOM 1755 N GLY A 111 4.029 -2.327 8.845 1.00 0.00 N ATOM 1756 CA GLY A 111 5.247 -2.823 9.459 1.00 0.00 C ATOM 1757 C GLY A 111 6.496 -2.300 8.779 1.00 0.00 C ATOM 1758 O GLY A 111 6.744 -1.078 8.849 1.00 0.00 O ATOM 0 H GLY A 111 3.914 -2.573 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.263 -2.536 10.510 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.249 -3.913 9.426 1.00 0.00 H new