USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 65 GLN : amide:sc= 0.608 X(o=0.51,f=0.15) USER MOD Set 1.2: A 79 TYR OH : rot 94:sc= -0.0947 USER MOD Set 2.1: A 29 TYR OH : rot 178:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 72:sc= 0.483 USER MOD Single : A 9 SER OG : rot 180:sc= -0.106 USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= 0.257 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.332) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-8.9!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -27:sc= 1.48 USER MOD Single : A 54 SER OG : rot -43:sc= 0.325 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.61 USER MOD Single : A 59 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.96) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000838 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.41! C(o=-3.4!,f=-4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -1.02 USER MOD Single : A 89 HIS : no HE2:sc= 0.0774 K(o=0.82,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.31) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.399 -5.580 -13.764 1.00 0.25 N ATOM 64 CA VAL A 7 3.217 -5.270 -14.560 1.00 23.34 C ATOM 65 C VAL A 7 2.274 -4.339 -13.806 1.00 14.51 C ATOM 66 O VAL A 7 2.113 -3.173 -14.169 1.00 41.21 O ATOM 67 CB VAL A 7 2.453 -6.549 -14.952 1.00 72.34 C ATOM 68 CG1 VAL A 7 1.325 -6.222 -15.918 1.00 64.33 C ATOM 69 CG2 VAL A 7 3.403 -7.572 -15.557 1.00 14.35 C ATOM 0 HA VAL A 7 3.567 -4.773 -15.465 1.00 23.34 H new ATOM 0 HB VAL A 7 2.015 -6.980 -14.052 1.00 72.34 H new ATOM 0 HG11 VAL A 7 0.797 -7.138 -16.184 1.00 64.33 H new ATOM 0 HG12 VAL A 7 0.631 -5.527 -15.445 1.00 64.33 H new ATOM 0 HG13 VAL A 7 1.738 -5.767 -16.818 1.00 64.33 H new ATOM 0 HG21 VAL A 7 2.847 -8.469 -15.828 1.00 14.35 H new ATOM 0 HG22 VAL A 7 3.871 -7.152 -16.447 1.00 14.35 H new ATOM 0 HG23 VAL A 7 4.173 -7.829 -14.829 1.00 14.35 H new ATOM 79 N LEU A 8 1.654 -4.861 -12.753 1.00 13.44 N ATOM 80 CA LEU A 8 0.727 -4.077 -11.944 1.00 33.33 C ATOM 81 C LEU A 8 1.420 -3.524 -10.703 1.00 22.55 C ATOM 82 O LEU A 8 2.042 -4.267 -9.944 1.00 71.11 O ATOM 83 CB LEU A 8 -0.472 -4.933 -11.534 1.00 10.04 C ATOM 84 CG LEU A 8 -1.317 -5.498 -12.677 1.00 75.11 C ATOM 85 CD1 LEU A 8 -2.460 -6.337 -12.132 1.00 45.32 C ATOM 86 CD2 LEU A 8 -1.848 -4.374 -13.554 1.00 21.33 C ATOM 0 H LEU A 8 1.776 -5.824 -12.440 1.00 13.44 H new ATOM 0 HA LEU A 8 0.378 -3.238 -12.546 1.00 33.33 H new ATOM 0 HB2 LEU A 8 -0.109 -5.766 -10.931 1.00 10.04 H new ATOM 0 HB3 LEU A 8 -1.119 -4.334 -10.893 1.00 10.04 H new ATOM 0 HG LEU A 8 -0.683 -6.140 -13.289 1.00 75.11 H new ATOM 0 HD11 LEU A 8 -3.050 -6.730 -12.960 1.00 45.32 H new ATOM 0 HD12 LEU A 8 -2.058 -7.165 -11.548 1.00 45.32 H new ATOM 0 HD13 LEU A 8 -3.094 -5.719 -11.496 1.00 45.32 H new ATOM 0 HD21 LEU A 8 -2.447 -4.795 -14.362 1.00 21.33 H new ATOM 0 HD22 LEU A 8 -2.466 -3.706 -12.954 1.00 21.33 H new ATOM 0 HD23 LEU A 8 -1.012 -3.815 -13.975 1.00 21.33 H new ATOM 98 N SER A 9 1.306 -2.215 -10.502 1.00 31.30 N ATOM 99 CA SER A 9 1.922 -1.561 -9.354 1.00 12.31 C ATOM 100 C SER A 9 1.153 -1.872 -8.073 1.00 72.22 C ATOM 101 O SER A 9 0.244 -2.702 -8.068 1.00 21.23 O ATOM 102 CB SER A 9 1.981 -0.048 -9.572 1.00 12.15 C ATOM 103 OG SER A 9 0.750 0.565 -9.231 1.00 55.41 O ATOM 0 H SER A 9 0.792 -1.586 -11.120 1.00 31.30 H new ATOM 0 HA SER A 9 2.937 -1.946 -9.250 1.00 12.31 H new ATOM 0 HB2 SER A 9 2.783 0.378 -8.969 1.00 12.15 H new ATOM 0 HB3 SER A 9 2.220 0.163 -10.614 1.00 12.15 H new ATOM 0 HG SER A 9 0.814 1.532 -9.378 1.00 55.41 H new ATOM 109 N GLY A 10 1.525 -1.199 -6.988 1.00 51.33 N ATOM 110 CA GLY A 10 0.861 -1.418 -5.717 1.00 4.20 C ATOM 111 C GLY A 10 -0.633 -1.170 -5.793 1.00 61.30 C ATOM 112 O GLY A 10 -1.431 -2.005 -5.368 1.00 12.22 O ATOM 0 H GLY A 10 2.274 -0.507 -6.967 1.00 51.33 H new ATOM 0 HA2 GLY A 10 1.040 -2.442 -5.389 1.00 4.20 H new ATOM 0 HA3 GLY A 10 1.297 -0.761 -4.965 1.00 4.20 H new ATOM 116 N GLY A 11 -1.014 -0.018 -6.337 1.00 3.43 N ATOM 117 CA GLY A 11 -2.421 0.318 -6.456 1.00 12.32 C ATOM 118 C GLY A 11 -3.158 -0.606 -7.404 1.00 3.00 C ATOM 119 O GLY A 11 -4.273 -1.040 -7.116 1.00 2.15 O ATOM 0 H GLY A 11 -0.373 0.689 -6.698 1.00 3.43 H new ATOM 0 HA2 GLY A 11 -2.887 0.271 -5.472 1.00 12.32 H new ATOM 0 HA3 GLY A 11 -2.518 1.346 -6.806 1.00 12.32 H new ATOM 123 N GLU A 12 -2.536 -0.906 -8.540 1.00 64.32 N ATOM 124 CA GLU A 12 -3.143 -1.782 -9.536 1.00 12.34 C ATOM 125 C GLU A 12 -3.299 -3.198 -8.990 1.00 53.33 C ATOM 126 O GLU A 12 -4.256 -3.901 -9.318 1.00 31.14 O ATOM 127 CB GLU A 12 -2.299 -1.804 -10.811 1.00 15.10 C ATOM 128 CG GLU A 12 -1.910 -0.422 -11.307 1.00 72.14 C ATOM 129 CD GLU A 12 -1.239 -0.457 -12.667 1.00 13.41 C ATOM 130 OE1 GLU A 12 -0.041 -0.805 -12.728 1.00 23.50 O ATOM 131 OE2 GLU A 12 -1.911 -0.139 -13.670 1.00 4.24 O ATOM 0 H GLU A 12 -1.612 -0.555 -8.794 1.00 64.32 H new ATOM 0 HA GLU A 12 -4.133 -1.391 -9.773 1.00 12.34 H new ATOM 0 HB2 GLU A 12 -1.394 -2.383 -10.628 1.00 15.10 H new ATOM 0 HB3 GLU A 12 -2.854 -2.319 -11.595 1.00 15.10 H new ATOM 0 HG2 GLU A 12 -2.801 0.204 -11.362 1.00 72.14 H new ATOM 0 HG3 GLU A 12 -1.237 0.043 -10.586 1.00 72.14 H new ATOM 138 N LEU A 13 -2.350 -3.613 -8.157 1.00 21.33 N ATOM 139 CA LEU A 13 -2.380 -4.946 -7.566 1.00 24.12 C ATOM 140 C LEU A 13 -3.618 -5.127 -6.694 1.00 12.54 C ATOM 141 O LEU A 13 -4.307 -6.143 -6.780 1.00 44.35 O ATOM 142 CB LEU A 13 -1.118 -5.186 -6.737 1.00 12.50 C ATOM 143 CG LEU A 13 -0.817 -6.642 -6.376 1.00 21.43 C ATOM 144 CD1 LEU A 13 -0.303 -7.397 -7.591 1.00 32.31 C ATOM 145 CD2 LEU A 13 0.188 -6.712 -5.236 1.00 42.01 C ATOM 0 H LEU A 13 -1.551 -3.045 -7.876 1.00 21.33 H new ATOM 0 HA LEU A 13 -2.419 -5.675 -8.375 1.00 24.12 H new ATOM 0 HB2 LEU A 13 -0.266 -4.785 -7.286 1.00 12.50 H new ATOM 0 HB3 LEU A 13 -1.200 -4.613 -5.813 1.00 12.50 H new ATOM 0 HG LEU A 13 -1.742 -7.114 -6.046 1.00 21.43 H new ATOM 0 HD11 LEU A 13 -0.094 -8.431 -7.315 1.00 32.31 H new ATOM 0 HD12 LEU A 13 -1.057 -7.376 -8.378 1.00 32.31 H new ATOM 0 HD13 LEU A 13 0.611 -6.926 -7.952 1.00 32.31 H new ATOM 0 HD21 LEU A 13 0.390 -7.755 -4.993 1.00 42.01 H new ATOM 0 HD22 LEU A 13 1.115 -6.224 -5.537 1.00 42.01 H new ATOM 0 HD23 LEU A 13 -0.220 -6.208 -4.360 1.00 42.01 H new ATOM 157 N ASP A 14 -3.894 -4.135 -5.854 1.00 54.02 N ATOM 158 CA ASP A 14 -5.051 -4.183 -4.968 1.00 3.54 C ATOM 159 C ASP A 14 -6.328 -4.456 -5.756 1.00 4.31 C ATOM 160 O ASP A 14 -7.080 -5.378 -5.439 1.00 42.12 O ATOM 161 CB ASP A 14 -5.184 -2.869 -4.196 1.00 4.11 C ATOM 162 CG ASP A 14 -5.033 -3.058 -2.699 1.00 73.53 C ATOM 163 OD1 ASP A 14 -3.905 -3.351 -2.250 1.00 13.21 O ATOM 164 OD2 ASP A 14 -6.041 -2.912 -1.979 1.00 3.21 O ATOM 0 H ASP A 14 -3.332 -3.288 -5.768 1.00 54.02 H new ATOM 0 HA ASP A 14 -4.902 -4.998 -4.260 1.00 3.54 H new ATOM 0 HB2 ASP A 14 -4.429 -2.166 -4.548 1.00 4.11 H new ATOM 0 HB3 ASP A 14 -6.157 -2.424 -4.407 1.00 4.11 H new ATOM 169 N LYS A 15 -6.568 -3.648 -6.782 1.00 72.22 N ATOM 170 CA LYS A 15 -7.754 -3.802 -7.617 1.00 20.02 C ATOM 171 C LYS A 15 -7.720 -5.127 -8.373 1.00 31.45 C ATOM 172 O LYS A 15 -8.735 -5.812 -8.489 1.00 52.00 O ATOM 173 CB LYS A 15 -7.861 -2.639 -8.606 1.00 43.55 C ATOM 174 CG LYS A 15 -8.361 -1.350 -7.979 1.00 14.44 C ATOM 175 CD LYS A 15 -7.387 -0.205 -8.207 1.00 71.03 C ATOM 176 CE LYS A 15 -8.076 1.145 -8.079 1.00 14.50 C ATOM 177 NZ LYS A 15 -8.001 1.928 -9.344 1.00 12.04 N ATOM 0 H LYS A 15 -5.957 -2.879 -7.056 1.00 72.22 H new ATOM 0 HA LYS A 15 -8.629 -3.799 -6.967 1.00 20.02 H new ATOM 0 HB2 LYS A 15 -6.882 -2.461 -9.051 1.00 43.55 H new ATOM 0 HB3 LYS A 15 -8.532 -2.923 -9.416 1.00 43.55 H new ATOM 0 HG2 LYS A 15 -9.332 -1.092 -8.401 1.00 14.44 H new ATOM 0 HG3 LYS A 15 -8.507 -1.497 -6.909 1.00 14.44 H new ATOM 0 HD2 LYS A 15 -6.573 -0.269 -7.485 1.00 71.03 H new ATOM 0 HD3 LYS A 15 -6.943 -0.296 -9.198 1.00 71.03 H new ATOM 0 HE2 LYS A 15 -9.121 0.995 -7.806 1.00 14.50 H new ATOM 0 HE3 LYS A 15 -7.614 1.714 -7.272 1.00 14.50 H new ATOM 0 HZ1 LYS A 15 -7.840 2.931 -9.122 1.00 12.04 H new ATOM 0 HZ2 LYS A 15 -7.216 1.572 -9.927 1.00 12.04 H new ATOM 0 HZ3 LYS A 15 -8.894 1.828 -9.868 1.00 12.04 H new ATOM 191 N TRP A 16 -6.546 -5.479 -8.884 1.00 34.01 N ATOM 192 CA TRP A 16 -6.379 -6.723 -9.629 1.00 31.43 C ATOM 193 C TRP A 16 -6.872 -7.914 -8.815 1.00 10.43 C ATOM 194 O TRP A 16 -7.691 -8.702 -9.287 1.00 4.24 O ATOM 195 CB TRP A 16 -4.911 -6.921 -10.008 1.00 61.42 C ATOM 196 CG TRP A 16 -4.645 -8.231 -10.687 1.00 31.52 C ATOM 197 CD1 TRP A 16 -4.167 -9.371 -10.108 1.00 15.45 C ATOM 198 CD2 TRP A 16 -4.839 -8.533 -12.073 1.00 5.51 C ATOM 199 NE1 TRP A 16 -4.052 -10.365 -11.050 1.00 1.24 N ATOM 200 CE2 TRP A 16 -4.461 -9.876 -12.263 1.00 15.43 C ATOM 201 CE3 TRP A 16 -5.300 -7.802 -13.171 1.00 2.21 C ATOM 202 CZ2 TRP A 16 -4.527 -10.499 -13.506 1.00 72.13 C ATOM 203 CZ3 TRP A 16 -5.365 -8.422 -14.404 1.00 4.11 C ATOM 204 CH2 TRP A 16 -4.981 -9.759 -14.564 1.00 0.10 C ATOM 0 H TRP A 16 -5.696 -4.922 -8.797 1.00 34.01 H new ATOM 0 HA TRP A 16 -6.976 -6.656 -10.539 1.00 31.43 H new ATOM 0 HB2 TRP A 16 -4.600 -6.109 -10.666 1.00 61.42 H new ATOM 0 HB3 TRP A 16 -4.299 -6.855 -9.109 1.00 61.42 H new ATOM 0 HD1 TRP A 16 -3.916 -9.476 -9.063 1.00 15.45 H new ATOM 0 HE1 TRP A 16 -3.717 -11.312 -10.875 1.00 1.24 H new ATOM 0 HE3 TRP A 16 -5.600 -6.771 -13.058 1.00 2.21 H new ATOM 0 HZ2 TRP A 16 -4.230 -11.530 -13.631 1.00 72.13 H new ATOM 0 HZ3 TRP A 16 -5.718 -7.866 -15.260 1.00 4.11 H new ATOM 0 HH2 TRP A 16 -5.044 -10.215 -15.541 1.00 0.10 H new ATOM 215 N GLU A 17 -6.367 -8.039 -7.591 1.00 70.34 N ATOM 216 CA GLU A 17 -6.757 -9.136 -6.713 1.00 20.20 C ATOM 217 C GLU A 17 -8.262 -9.124 -6.464 1.00 41.42 C ATOM 218 O GLU A 17 -8.862 -10.158 -6.169 1.00 44.20 O ATOM 219 CB GLU A 17 -6.008 -9.045 -5.382 1.00 32.51 C ATOM 220 CG GLU A 17 -4.555 -9.483 -5.471 1.00 44.01 C ATOM 221 CD GLU A 17 -3.943 -9.749 -4.109 1.00 75.32 C ATOM 222 OE1 GLU A 17 -4.069 -10.888 -3.613 1.00 41.23 O ATOM 223 OE2 GLU A 17 -3.335 -8.818 -3.540 1.00 44.11 O ATOM 0 H GLU A 17 -5.688 -7.395 -7.186 1.00 70.34 H new ATOM 0 HA GLU A 17 -6.495 -10.072 -7.205 1.00 20.20 H new ATOM 0 HB2 GLU A 17 -6.048 -8.017 -5.022 1.00 32.51 H new ATOM 0 HB3 GLU A 17 -6.520 -9.662 -4.643 1.00 32.51 H new ATOM 0 HG2 GLU A 17 -4.488 -10.386 -6.078 1.00 44.01 H new ATOM 0 HG3 GLU A 17 -3.977 -8.712 -5.981 1.00 44.01 H new ATOM 230 N LYS A 18 -8.866 -7.947 -6.583 1.00 44.53 N ATOM 231 CA LYS A 18 -10.301 -7.798 -6.371 1.00 65.14 C ATOM 232 C LYS A 18 -11.086 -8.322 -7.571 1.00 14.42 C ATOM 233 O LYS A 18 -12.022 -9.108 -7.416 1.00 34.51 O ATOM 234 CB LYS A 18 -10.652 -6.330 -6.122 1.00 13.25 C ATOM 235 CG LYS A 18 -11.612 -6.122 -4.963 1.00 11.11 C ATOM 236 CD LYS A 18 -10.872 -5.811 -3.673 1.00 53.30 C ATOM 237 CE LYS A 18 -10.532 -7.080 -2.906 1.00 2.14 C ATOM 238 NZ LYS A 18 -9.087 -7.422 -3.011 1.00 72.40 N ATOM 0 H LYS A 18 -8.384 -7.081 -6.825 1.00 44.53 H new ATOM 0 HA LYS A 18 -10.575 -8.385 -5.494 1.00 65.14 H new ATOM 0 HB2 LYS A 18 -9.735 -5.774 -5.927 1.00 13.25 H new ATOM 0 HB3 LYS A 18 -11.092 -5.912 -7.027 1.00 13.25 H new ATOM 0 HG2 LYS A 18 -12.295 -5.305 -5.197 1.00 11.11 H new ATOM 0 HG3 LYS A 18 -12.220 -7.017 -4.828 1.00 11.11 H new ATOM 0 HD2 LYS A 18 -9.956 -5.265 -3.900 1.00 53.30 H new ATOM 0 HD3 LYS A 18 -11.484 -5.160 -3.049 1.00 53.30 H new ATOM 0 HE2 LYS A 18 -10.800 -6.953 -1.857 1.00 2.14 H new ATOM 0 HE3 LYS A 18 -11.130 -7.907 -3.289 1.00 2.14 H new ATOM 0 HZ1 LYS A 18 -8.896 -8.293 -2.475 1.00 72.40 H new ATOM 0 HZ2 LYS A 18 -8.837 -7.569 -4.010 1.00 72.40 H new ATOM 0 HZ3 LYS A 18 -8.517 -6.644 -2.622 1.00 72.40 H new ATOM 252 N ILE A 19 -10.697 -7.883 -8.762 1.00 52.04 N ATOM 253 CA ILE A 19 -11.363 -8.310 -9.987 1.00 52.30 C ATOM 254 C ILE A 19 -11.455 -9.830 -10.062 1.00 2.22 C ATOM 255 O ILE A 19 -10.514 -10.538 -9.701 1.00 73.42 O ATOM 256 CB ILE A 19 -10.628 -7.789 -11.237 1.00 43.52 C ATOM 257 CG1 ILE A 19 -10.545 -6.262 -11.208 1.00 11.30 C ATOM 258 CG2 ILE A 19 -11.333 -8.262 -12.500 1.00 30.30 C ATOM 259 CD1 ILE A 19 -9.175 -5.725 -11.555 1.00 14.31 C ATOM 0 H ILE A 19 -9.925 -7.232 -8.906 1.00 52.04 H new ATOM 0 HA ILE A 19 -12.368 -7.889 -9.964 1.00 52.30 H new ATOM 0 HB ILE A 19 -9.614 -8.189 -11.237 1.00 43.52 H new ATOM 0 HG12 ILE A 19 -11.274 -5.853 -11.907 1.00 11.30 H new ATOM 0 HG13 ILE A 19 -10.824 -5.910 -10.215 1.00 11.30 H new ATOM 0 HG21 ILE A 19 -10.803 -7.886 -13.375 1.00 30.30 H new ATOM 0 HG22 ILE A 19 -11.346 -9.352 -12.523 1.00 30.30 H new ATOM 0 HG23 ILE A 19 -12.357 -7.887 -12.507 1.00 30.30 H new ATOM 0 HD11 ILE A 19 -9.190 -4.636 -11.515 1.00 14.31 H new ATOM 0 HD12 ILE A 19 -8.444 -6.105 -10.841 1.00 14.31 H new ATOM 0 HD13 ILE A 19 -8.902 -6.047 -12.560 1.00 14.31 H new ATOM 271 N ARG A 20 -12.594 -10.326 -10.532 1.00 72.54 N ATOM 272 CA ARG A 20 -12.809 -11.763 -10.655 1.00 63.25 C ATOM 273 C ARG A 20 -12.742 -12.200 -12.116 1.00 22.22 C ATOM 274 O ARG A 20 -13.091 -11.440 -13.020 1.00 33.32 O ATOM 275 CB ARG A 20 -14.163 -12.150 -10.059 1.00 3.43 C ATOM 276 CG ARG A 20 -14.254 -11.927 -8.558 1.00 11.25 C ATOM 277 CD ARG A 20 -15.463 -12.631 -7.961 1.00 12.04 C ATOM 278 NE ARG A 20 -15.964 -11.947 -6.773 1.00 22.05 N ATOM 279 CZ ARG A 20 -17.113 -12.248 -6.181 1.00 4.52 C ATOM 280 NH1 ARG A 20 -17.877 -13.219 -6.664 1.00 43.43 N ATOM 281 NH2 ARG A 20 -17.502 -11.580 -5.102 1.00 63.22 N ATOM 0 H ARG A 20 -13.383 -9.754 -10.834 1.00 72.54 H new ATOM 0 HA ARG A 20 -12.018 -12.272 -10.104 1.00 63.25 H new ATOM 0 HB2 ARG A 20 -14.946 -11.573 -10.552 1.00 3.43 H new ATOM 0 HB3 ARG A 20 -14.358 -13.201 -10.274 1.00 3.43 H new ATOM 0 HG2 ARG A 20 -13.346 -12.293 -8.079 1.00 11.25 H new ATOM 0 HG3 ARG A 20 -14.315 -10.859 -8.351 1.00 11.25 H new ATOM 0 HD2 ARG A 20 -16.255 -12.687 -8.708 1.00 12.04 H new ATOM 0 HD3 ARG A 20 -15.195 -13.656 -7.703 1.00 12.04 H new ATOM 0 HE ARG A 20 -15.400 -11.196 -6.376 1.00 22.05 H new ATOM 0 HH11 ARG A 20 -17.582 -13.736 -7.492 1.00 43.43 H new ATOM 0 HH12 ARG A 20 -18.760 -13.448 -6.207 1.00 43.43 H new ATOM 0 HH21 ARG A 20 -16.917 -10.833 -4.726 1.00 63.22 H new ATOM 0 HH22 ARG A 20 -18.386 -11.813 -4.649 1.00 63.22 H new ATOM 295 N LEU A 21 -12.290 -13.429 -12.339 1.00 64.53 N ATOM 296 CA LEU A 21 -12.177 -13.969 -13.690 1.00 33.31 C ATOM 297 C LEU A 21 -13.530 -13.969 -14.393 1.00 12.13 C ATOM 298 O LEU A 21 -13.615 -13.733 -15.598 1.00 21.53 O ATOM 299 CB LEU A 21 -11.611 -15.390 -13.647 1.00 31.32 C ATOM 300 CG LEU A 21 -10.325 -15.576 -12.841 1.00 63.03 C ATOM 301 CD1 LEU A 21 -10.154 -17.033 -12.440 1.00 0.43 C ATOM 302 CD2 LEU A 21 -9.121 -15.095 -13.638 1.00 42.42 C ATOM 0 H LEU A 21 -11.996 -14.070 -11.602 1.00 64.53 H new ATOM 0 HA LEU A 21 -11.497 -13.330 -14.253 1.00 33.31 H new ATOM 0 HB2 LEU A 21 -12.373 -16.051 -13.235 1.00 31.32 H new ATOM 0 HB3 LEU A 21 -11.425 -15.717 -14.670 1.00 31.32 H new ATOM 0 HG LEU A 21 -10.397 -14.976 -11.934 1.00 63.03 H new ATOM 0 HD11 LEU A 21 -9.234 -17.147 -11.867 1.00 0.43 H new ATOM 0 HD12 LEU A 21 -11.002 -17.344 -11.830 1.00 0.43 H new ATOM 0 HD13 LEU A 21 -10.104 -17.653 -13.335 1.00 0.43 H new ATOM 0 HD21 LEU A 21 -8.215 -15.235 -13.049 1.00 42.42 H new ATOM 0 HD22 LEU A 21 -9.045 -15.667 -14.563 1.00 42.42 H new ATOM 0 HD23 LEU A 21 -9.240 -14.038 -13.874 1.00 42.42 H new ATOM 314 N ARG A 22 -14.586 -14.233 -13.631 1.00 4.35 N ATOM 315 CA ARG A 22 -15.937 -14.262 -14.180 1.00 51.05 C ATOM 316 C ARG A 22 -16.915 -13.540 -13.258 1.00 14.24 C ATOM 317 O ARG A 22 -16.658 -13.346 -12.070 1.00 1.40 O ATOM 318 CB ARG A 22 -16.392 -15.707 -14.393 1.00 30.12 C ATOM 319 CG ARG A 22 -16.416 -16.128 -15.853 1.00 44.22 C ATOM 320 CD ARG A 22 -17.466 -17.200 -16.106 1.00 61.34 C ATOM 321 NE ARG A 22 -16.876 -18.431 -16.626 1.00 2.33 N ATOM 322 CZ ARG A 22 -17.590 -19.490 -16.992 1.00 24.42 C ATOM 323 NH1 ARG A 22 -18.913 -19.467 -16.897 1.00 74.34 N ATOM 324 NH2 ARG A 22 -16.982 -20.574 -17.455 1.00 73.34 N ATOM 0 H ARG A 22 -14.533 -14.430 -12.632 1.00 4.35 H new ATOM 0 HA ARG A 22 -15.923 -13.747 -15.140 1.00 51.05 H new ATOM 0 HB2 ARG A 22 -15.728 -16.373 -13.842 1.00 30.12 H new ATOM 0 HB3 ARG A 22 -17.389 -15.831 -13.971 1.00 30.12 H new ATOM 0 HG2 ARG A 22 -16.622 -15.260 -16.480 1.00 44.22 H new ATOM 0 HG3 ARG A 22 -15.434 -16.504 -16.141 1.00 44.22 H new ATOM 0 HD2 ARG A 22 -17.995 -17.415 -15.178 1.00 61.34 H new ATOM 0 HD3 ARG A 22 -18.204 -16.824 -16.814 1.00 61.34 H new ATOM 0 HE ARG A 22 -15.861 -18.480 -16.713 1.00 2.33 H new ATOM 0 HH11 ARG A 22 -19.384 -18.635 -16.542 1.00 74.34 H new ATOM 0 HH12 ARG A 22 -19.459 -20.281 -17.179 1.00 74.34 H new ATOM 0 HH21 ARG A 22 -15.965 -20.595 -17.530 1.00 73.34 H new ATOM 0 HH22 ARG A 22 -17.531 -21.386 -17.736 1.00 73.34 H new ATOM 338 N PRO A 23 -18.064 -13.132 -13.817 1.00 34.35 N ATOM 339 CA PRO A 23 -19.103 -12.425 -13.063 1.00 32.45 C ATOM 340 C PRO A 23 -19.802 -13.328 -12.052 1.00 10.20 C ATOM 341 O PRO A 23 -20.163 -12.892 -10.960 1.00 64.42 O ATOM 342 CB PRO A 23 -20.085 -11.975 -14.148 1.00 40.43 C ATOM 343 CG PRO A 23 -19.891 -12.947 -15.260 1.00 70.21 C ATOM 344 CD PRO A 23 -18.436 -13.329 -15.227 1.00 60.51 C ATOM 0 HA PRO A 23 -18.692 -11.605 -12.474 1.00 32.45 H new ATOM 0 HB2 PRO A 23 -21.112 -11.990 -13.783 1.00 40.43 H new ATOM 0 HB3 PRO A 23 -19.877 -10.955 -14.472 1.00 40.43 H new ATOM 0 HG2 PRO A 23 -20.527 -13.822 -15.129 1.00 70.21 H new ATOM 0 HG3 PRO A 23 -20.156 -12.501 -16.219 1.00 70.21 H new ATOM 0 HD2 PRO A 23 -18.284 -14.361 -15.542 1.00 60.51 H new ATOM 0 HD3 PRO A 23 -17.841 -12.702 -15.891 1.00 60.51 H new ATOM 352 N GLY A 24 -19.989 -14.591 -12.425 1.00 3.35 N ATOM 353 CA GLY A 24 -20.644 -15.536 -11.539 1.00 4.12 C ATOM 354 C GLY A 24 -19.703 -16.617 -11.046 1.00 15.23 C ATOM 355 O GLY A 24 -19.953 -17.805 -11.243 1.00 43.21 O ATOM 0 H GLY A 24 -19.699 -14.976 -13.324 1.00 3.35 H new ATOM 0 HA2 GLY A 24 -21.057 -15.001 -10.684 1.00 4.12 H new ATOM 0 HA3 GLY A 24 -21.482 -15.998 -12.061 1.00 4.12 H new ATOM 359 N GLY A 25 -18.614 -16.204 -10.404 1.00 4.23 N ATOM 360 CA GLY A 25 -17.647 -17.158 -9.893 1.00 41.11 C ATOM 361 C GLY A 25 -17.134 -16.783 -8.517 1.00 75.15 C ATOM 362 O GLY A 25 -17.532 -15.763 -7.954 1.00 53.51 O ATOM 0 H GLY A 25 -18.384 -15.226 -10.229 1.00 4.23 H new ATOM 0 HA2 GLY A 25 -18.104 -18.146 -9.850 1.00 41.11 H new ATOM 0 HA3 GLY A 25 -16.807 -17.225 -10.585 1.00 41.11 H new ATOM 366 N LYS A 26 -16.247 -17.610 -7.973 1.00 24.45 N ATOM 367 CA LYS A 26 -15.677 -17.361 -6.654 1.00 24.12 C ATOM 368 C LYS A 26 -14.155 -17.451 -6.693 1.00 13.14 C ATOM 369 O LYS A 26 -13.514 -17.757 -5.688 1.00 4.24 O ATOM 370 CB LYS A 26 -16.232 -18.362 -5.639 1.00 1.44 C ATOM 371 CG LYS A 26 -17.729 -18.234 -5.413 1.00 15.40 C ATOM 372 CD LYS A 26 -18.043 -17.790 -3.995 1.00 14.22 C ATOM 373 CE LYS A 26 -17.864 -18.929 -3.002 1.00 24.33 C ATOM 374 NZ LYS A 26 -16.640 -18.755 -2.172 1.00 62.21 N ATOM 0 H LYS A 26 -15.907 -18.459 -8.426 1.00 24.45 H new ATOM 0 HA LYS A 26 -15.956 -16.352 -6.350 1.00 24.12 H new ATOM 0 HB2 LYS A 26 -16.010 -19.373 -5.980 1.00 1.44 H new ATOM 0 HB3 LYS A 26 -15.717 -18.226 -4.688 1.00 1.44 H new ATOM 0 HG2 LYS A 26 -18.145 -17.516 -6.120 1.00 15.40 H new ATOM 0 HG3 LYS A 26 -18.211 -19.192 -5.610 1.00 15.40 H new ATOM 0 HD2 LYS A 26 -17.392 -16.960 -3.720 1.00 14.22 H new ATOM 0 HD3 LYS A 26 -19.068 -17.421 -3.946 1.00 14.22 H new ATOM 0 HE2 LYS A 26 -18.738 -18.985 -2.353 1.00 24.33 H new ATOM 0 HE3 LYS A 26 -17.806 -19.875 -3.541 1.00 24.33 H new ATOM 0 HZ1 LYS A 26 -16.728 -19.318 -1.302 1.00 62.21 H new ATOM 0 HZ2 LYS A 26 -15.808 -19.075 -2.708 1.00 62.21 H new ATOM 0 HZ3 LYS A 26 -16.528 -17.751 -1.925 1.00 62.21 H new ATOM 388 N LYS A 27 -13.581 -17.180 -7.861 1.00 11.54 N ATOM 389 CA LYS A 27 -12.134 -17.227 -8.031 1.00 12.52 C ATOM 390 C LYS A 27 -11.596 -15.879 -8.499 1.00 3.00 C ATOM 391 O LYS A 27 -11.528 -15.612 -9.698 1.00 62.11 O ATOM 392 CB LYS A 27 -11.753 -18.317 -9.036 1.00 30.32 C ATOM 393 CG LYS A 27 -10.332 -18.828 -8.871 1.00 33.41 C ATOM 394 CD LYS A 27 -10.118 -20.131 -9.621 1.00 15.50 C ATOM 395 CE LYS A 27 -8.731 -20.194 -10.243 1.00 64.32 C ATOM 396 NZ LYS A 27 -8.301 -21.596 -10.499 1.00 43.34 N ATOM 0 H LYS A 27 -14.096 -16.926 -8.704 1.00 11.54 H new ATOM 0 HA LYS A 27 -11.688 -17.460 -7.064 1.00 12.52 H new ATOM 0 HB2 LYS A 27 -12.445 -19.153 -8.932 1.00 30.32 H new ATOM 0 HB3 LYS A 27 -11.874 -17.926 -10.046 1.00 30.32 H new ATOM 0 HG2 LYS A 27 -9.630 -18.078 -9.235 1.00 33.41 H new ATOM 0 HG3 LYS A 27 -10.119 -18.977 -7.813 1.00 33.41 H new ATOM 0 HD2 LYS A 27 -10.251 -20.971 -8.939 1.00 15.50 H new ATOM 0 HD3 LYS A 27 -10.873 -20.231 -10.401 1.00 15.50 H new ATOM 0 HE2 LYS A 27 -8.727 -19.636 -11.180 1.00 64.32 H new ATOM 0 HE3 LYS A 27 -8.014 -19.709 -9.581 1.00 64.32 H new ATOM 0 HZ1 LYS A 27 -7.351 -21.596 -10.923 1.00 43.34 H new ATOM 0 HZ2 LYS A 27 -8.280 -22.122 -9.602 1.00 43.34 H new ATOM 0 HZ3 LYS A 27 -8.971 -22.051 -11.151 1.00 43.34 H new ATOM 410 N GLN A 28 -11.216 -15.035 -7.546 1.00 42.11 N ATOM 411 CA GLN A 28 -10.684 -13.715 -7.862 1.00 42.13 C ATOM 412 C GLN A 28 -9.414 -13.826 -8.700 1.00 35.13 C ATOM 413 O GLN A 28 -8.920 -14.925 -8.953 1.00 71.32 O ATOM 414 CB GLN A 28 -10.396 -12.936 -6.577 1.00 74.42 C ATOM 415 CG GLN A 28 -11.534 -12.979 -5.571 1.00 42.23 C ATOM 416 CD GLN A 28 -11.281 -13.961 -4.445 1.00 52.21 C ATOM 417 OE1 GLN A 28 -10.299 -13.842 -3.710 1.00 40.14 O ATOM 418 NE2 GLN A 28 -12.166 -14.941 -4.302 1.00 10.21 N ATOM 0 H GLN A 28 -11.267 -15.242 -6.548 1.00 42.11 H new ATOM 0 HA GLN A 28 -11.434 -13.178 -8.442 1.00 42.13 H new ATOM 0 HB2 GLN A 28 -9.496 -13.338 -6.112 1.00 74.42 H new ATOM 0 HB3 GLN A 28 -10.186 -11.897 -6.831 1.00 74.42 H new ATOM 0 HG2 GLN A 28 -11.682 -11.983 -5.153 1.00 42.23 H new ATOM 0 HG3 GLN A 28 -12.457 -13.250 -6.084 1.00 42.23 H new ATOM 0 HE21 GLN A 28 -12.965 -15.002 -4.933 1.00 10.21 H new ATOM 0 HE22 GLN A 28 -12.046 -15.632 -3.561 1.00 10.21 H new ATOM 427 N TYR A 29 -8.890 -12.681 -9.126 1.00 45.54 N ATOM 428 CA TYR A 29 -7.680 -12.651 -9.937 1.00 54.24 C ATOM 429 C TYR A 29 -6.433 -12.722 -9.059 1.00 25.33 C ATOM 430 O TYR A 29 -6.432 -12.244 -7.925 1.00 13.52 O ATOM 431 CB TYR A 29 -7.645 -11.383 -10.790 1.00 32.41 C ATOM 432 CG TYR A 29 -8.081 -11.603 -12.221 1.00 20.22 C ATOM 433 CD1 TYR A 29 -7.224 -12.184 -13.149 1.00 3.42 C ATOM 434 CD2 TYR A 29 -9.350 -11.229 -12.647 1.00 13.43 C ATOM 435 CE1 TYR A 29 -7.619 -12.386 -14.456 1.00 72.15 C ATOM 436 CE2 TYR A 29 -9.753 -11.430 -13.953 1.00 25.24 C ATOM 437 CZ TYR A 29 -8.884 -12.008 -14.854 1.00 5.45 C ATOM 438 OH TYR A 29 -9.282 -12.209 -16.156 1.00 65.50 O ATOM 0 H TYR A 29 -9.285 -11.763 -8.923 1.00 45.54 H new ATOM 0 HA TYR A 29 -7.690 -13.522 -10.592 1.00 54.24 H new ATOM 0 HB2 TYR A 29 -8.289 -10.631 -10.334 1.00 32.41 H new ATOM 0 HB3 TYR A 29 -6.632 -10.980 -10.786 1.00 32.41 H new ATOM 0 HD1 TYR A 29 -6.232 -12.482 -12.842 1.00 3.42 H new ATOM 0 HD2 TYR A 29 -10.033 -10.773 -11.945 1.00 13.43 H new ATOM 0 HE1 TYR A 29 -6.940 -12.838 -15.164 1.00 72.15 H new ATOM 0 HE2 TYR A 29 -10.744 -11.136 -14.267 1.00 25.24 H new ATOM 0 HH TYR A 29 -10.212 -11.917 -16.263 1.00 65.50 H new ATOM 448 N LYS A 30 -5.374 -13.320 -9.593 1.00 43.05 N ATOM 449 CA LYS A 30 -4.121 -13.452 -8.861 1.00 72.04 C ATOM 450 C LYS A 30 -2.927 -13.379 -9.809 1.00 44.13 C ATOM 451 O LYS A 30 -3.080 -13.495 -11.026 1.00 72.55 O ATOM 452 CB LYS A 30 -4.093 -14.775 -8.092 1.00 11.10 C ATOM 453 CG LYS A 30 -4.157 -14.603 -6.584 1.00 21.34 C ATOM 454 CD LYS A 30 -3.043 -15.365 -5.886 1.00 61.43 C ATOM 455 CE LYS A 30 -3.450 -16.801 -5.592 1.00 5.04 C ATOM 456 NZ LYS A 30 -2.991 -17.242 -4.246 1.00 23.11 N ATOM 0 H LYS A 30 -5.359 -13.721 -10.531 1.00 43.05 H new ATOM 0 HA LYS A 30 -4.053 -12.625 -8.154 1.00 72.04 H new ATOM 0 HB2 LYS A 30 -4.932 -15.391 -8.415 1.00 11.10 H new ATOM 0 HB3 LYS A 30 -3.182 -15.316 -8.349 1.00 11.10 H new ATOM 0 HG2 LYS A 30 -4.086 -13.544 -6.335 1.00 21.34 H new ATOM 0 HG3 LYS A 30 -5.122 -14.953 -6.218 1.00 21.34 H new ATOM 0 HD2 LYS A 30 -2.150 -15.359 -6.511 1.00 61.43 H new ATOM 0 HD3 LYS A 30 -2.784 -14.861 -4.955 1.00 61.43 H new ATOM 0 HE2 LYS A 30 -4.535 -16.891 -5.654 1.00 5.04 H new ATOM 0 HE3 LYS A 30 -3.032 -17.460 -6.353 1.00 5.04 H new ATOM 0 HZ1 LYS A 30 -3.288 -18.225 -4.083 1.00 23.11 H new ATOM 0 HZ2 LYS A 30 -1.954 -17.180 -4.195 1.00 23.11 H new ATOM 0 HZ3 LYS A 30 -3.410 -16.629 -3.518 1.00 23.11 H new ATOM 470 N LEU A 31 -1.741 -13.187 -9.245 1.00 32.13 N ATOM 471 CA LEU A 31 -0.520 -13.100 -10.040 1.00 60.13 C ATOM 472 C LEU A 31 -0.396 -14.294 -10.980 1.00 50.42 C ATOM 473 O LEU A 31 0.179 -14.189 -12.063 1.00 53.24 O ATOM 474 CB LEU A 31 0.704 -13.027 -9.126 1.00 30.15 C ATOM 475 CG LEU A 31 0.715 -11.884 -8.110 1.00 1.03 C ATOM 476 CD1 LEU A 31 1.219 -12.373 -6.761 1.00 25.22 C ATOM 477 CD2 LEU A 31 1.570 -10.730 -8.614 1.00 20.31 C ATOM 0 H LEU A 31 -1.597 -13.088 -8.240 1.00 32.13 H new ATOM 0 HA LEU A 31 -0.572 -12.192 -10.641 1.00 60.13 H new ATOM 0 HB2 LEU A 31 0.785 -13.969 -8.584 1.00 30.15 H new ATOM 0 HB3 LEU A 31 1.594 -12.941 -9.750 1.00 30.15 H new ATOM 0 HG LEU A 31 -0.307 -11.526 -7.985 1.00 1.03 H new ATOM 0 HD11 LEU A 31 1.220 -11.546 -6.051 1.00 25.22 H new ATOM 0 HD12 LEU A 31 0.566 -13.165 -6.394 1.00 25.22 H new ATOM 0 HD13 LEU A 31 2.233 -12.759 -6.869 1.00 25.22 H new ATOM 0 HD21 LEU A 31 1.566 -9.926 -7.878 1.00 20.31 H new ATOM 0 HD22 LEU A 31 2.592 -11.075 -8.769 1.00 20.31 H new ATOM 0 HD23 LEU A 31 1.165 -10.361 -9.556 1.00 20.31 H new ATOM 489 N LYS A 32 -0.940 -15.432 -10.559 1.00 20.13 N ATOM 490 CA LYS A 32 -0.894 -16.646 -11.362 1.00 62.15 C ATOM 491 C LYS A 32 -1.407 -16.384 -12.775 1.00 33.12 C ATOM 492 O LYS A 32 -0.888 -16.934 -13.747 1.00 13.41 O ATOM 493 CB LYS A 32 -1.725 -17.750 -10.704 1.00 63.13 C ATOM 494 CG LYS A 32 -1.081 -18.338 -9.461 1.00 21.45 C ATOM 495 CD LYS A 32 -0.271 -19.581 -9.787 1.00 1.33 C ATOM 496 CE LYS A 32 0.216 -20.276 -8.525 1.00 3.20 C ATOM 497 NZ LYS A 32 1.447 -21.077 -8.772 1.00 22.22 N ATOM 0 H LYS A 32 -1.418 -15.537 -9.664 1.00 20.13 H new ATOM 0 HA LYS A 32 0.145 -16.970 -11.425 1.00 62.15 H new ATOM 0 HB2 LYS A 32 -2.703 -17.348 -10.440 1.00 63.13 H new ATOM 0 HB3 LYS A 32 -1.892 -18.547 -11.428 1.00 63.13 H new ATOM 0 HG2 LYS A 32 -0.434 -17.593 -8.998 1.00 21.45 H new ATOM 0 HG3 LYS A 32 -1.853 -18.587 -8.733 1.00 21.45 H new ATOM 0 HD2 LYS A 32 -0.880 -20.271 -10.371 1.00 1.33 H new ATOM 0 HD3 LYS A 32 0.584 -19.308 -10.406 1.00 1.33 H new ATOM 0 HE2 LYS A 32 0.416 -19.531 -7.755 1.00 3.20 H new ATOM 0 HE3 LYS A 32 -0.570 -20.927 -8.143 1.00 3.20 H new ATOM 0 HZ1 LYS A 32 1.747 -21.535 -7.888 1.00 22.22 H new ATOM 0 HZ2 LYS A 32 1.250 -21.804 -9.489 1.00 22.22 H new ATOM 0 HZ3 LYS A 32 2.205 -20.452 -9.113 1.00 22.22 H new ATOM 511 N HIS A 33 -2.427 -15.538 -12.882 1.00 73.14 N ATOM 512 CA HIS A 33 -3.009 -15.201 -14.178 1.00 14.43 C ATOM 513 C HIS A 33 -2.127 -14.204 -14.924 1.00 61.43 C ATOM 514 O HIS A 33 -2.065 -14.312 -16.149 1.00 33.40 O ATOM 515 CB HIS A 33 -4.412 -14.621 -13.995 1.00 33.11 C ATOM 516 CG HIS A 33 -5.270 -15.413 -13.057 1.00 14.32 C ATOM 517 ND1 HIS A 33 -6.002 -14.839 -12.040 1.00 54.11 N ATOM 518 CD2 HIS A 33 -5.510 -16.743 -12.987 1.00 2.30 C ATOM 519 CE1 HIS A 33 -6.656 -15.782 -11.384 1.00 73.11 C ATOM 520 NE2 HIS A 33 -6.375 -16.948 -11.940 1.00 34.54 N ATOM 0 H HIS A 33 -2.868 -15.073 -12.088 1.00 73.14 H new ATOM 0 HA HIS A 33 -3.076 -16.115 -14.769 1.00 14.43 H new ATOM 0 HB2 HIS A 33 -4.328 -13.600 -13.623 1.00 33.11 H new ATOM 0 HB3 HIS A 33 -4.904 -14.567 -14.966 1.00 33.11 H new ATOM 0 HD2 HIS A 33 -5.098 -17.503 -13.635 1.00 2.30 H new ATOM 0 HE1 HIS A 33 -7.309 -15.626 -10.538 1.00 73.11 H new ATOM 0 HE2 HIS A 33 -6.741 -17.852 -11.640 1.00 34.54 H new ATOM 528 N ILE A 34 -1.468 -13.271 -14.244 1.00 61.23 N ATOM 529 CA ILE A 34 -0.614 -12.298 -14.915 1.00 53.32 C ATOM 530 C ILE A 34 0.607 -12.973 -15.533 1.00 22.14 C ATOM 531 O ILE A 34 1.058 -12.595 -16.614 1.00 63.11 O ATOM 532 CB ILE A 34 -0.143 -11.200 -13.945 1.00 32.35 C ATOM 533 CG1 ILE A 34 -1.339 -10.593 -13.207 1.00 54.13 C ATOM 534 CG2 ILE A 34 0.624 -10.123 -14.696 1.00 61.41 C ATOM 535 CD1 ILE A 34 -0.948 -9.590 -12.145 1.00 60.22 C ATOM 0 H ILE A 34 -1.509 -13.168 -13.230 1.00 61.23 H new ATOM 0 HA ILE A 34 -1.213 -11.842 -15.704 1.00 53.32 H new ATOM 0 HB ILE A 34 0.525 -11.648 -13.209 1.00 32.35 H new ATOM 0 HG12 ILE A 34 -1.994 -10.107 -13.931 1.00 54.13 H new ATOM 0 HG13 ILE A 34 -1.915 -11.394 -12.744 1.00 54.13 H new ATOM 0 HG21 ILE A 34 0.950 -9.354 -13.996 1.00 61.41 H new ATOM 0 HG22 ILE A 34 1.494 -10.566 -15.180 1.00 61.41 H new ATOM 0 HG23 ILE A 34 -0.022 -9.676 -15.451 1.00 61.41 H new ATOM 0 HD11 ILE A 34 -1.845 -9.201 -11.664 1.00 60.22 H new ATOM 0 HD12 ILE A 34 -0.318 -10.076 -11.400 1.00 60.22 H new ATOM 0 HD13 ILE A 34 -0.398 -8.769 -12.605 1.00 60.22 H new ATOM 547 N VAL A 35 1.137 -13.975 -14.839 1.00 2.13 N ATOM 548 CA VAL A 35 2.304 -14.705 -15.320 1.00 71.40 C ATOM 549 C VAL A 35 1.910 -15.742 -16.367 1.00 13.42 C ATOM 550 O VAL A 35 2.632 -15.962 -17.339 1.00 61.00 O ATOM 551 CB VAL A 35 3.040 -15.410 -14.166 1.00 21.11 C ATOM 552 CG1 VAL A 35 4.234 -16.191 -14.692 1.00 72.12 C ATOM 553 CG2 VAL A 35 3.475 -14.399 -13.116 1.00 13.41 C ATOM 0 H VAL A 35 0.777 -14.300 -13.942 1.00 2.13 H new ATOM 0 HA VAL A 35 2.972 -13.972 -15.772 1.00 71.40 H new ATOM 0 HB VAL A 35 2.353 -16.115 -13.697 1.00 21.11 H new ATOM 0 HG11 VAL A 35 4.742 -16.682 -13.862 1.00 72.12 H new ATOM 0 HG12 VAL A 35 3.892 -16.942 -15.404 1.00 72.12 H new ATOM 0 HG13 VAL A 35 4.925 -15.509 -15.187 1.00 72.12 H new ATOM 0 HG21 VAL A 35 3.994 -14.914 -12.308 1.00 13.41 H new ATOM 0 HG22 VAL A 35 4.145 -13.669 -13.570 1.00 13.41 H new ATOM 0 HG23 VAL A 35 2.598 -13.888 -12.717 1.00 13.41 H new ATOM 563 N TRP A 36 0.762 -16.376 -16.160 1.00 63.23 N ATOM 564 CA TRP A 36 0.272 -17.390 -17.086 1.00 63.20 C ATOM 565 C TRP A 36 0.171 -16.832 -18.502 1.00 21.42 C ATOM 566 O TRP A 36 0.418 -17.540 -19.477 1.00 31.11 O ATOM 567 CB TRP A 36 -1.093 -17.910 -16.631 1.00 62.42 C ATOM 568 CG TRP A 36 -1.732 -18.842 -17.614 1.00 61.52 C ATOM 569 CD1 TRP A 36 -1.736 -20.207 -17.566 1.00 62.45 C ATOM 570 CD2 TRP A 36 -2.458 -18.478 -18.794 1.00 50.54 C ATOM 571 NE1 TRP A 36 -2.422 -20.713 -18.645 1.00 14.44 N ATOM 572 CE2 TRP A 36 -2.875 -19.674 -19.413 1.00 0.25 C ATOM 573 CE3 TRP A 36 -2.798 -17.259 -19.386 1.00 64.33 C ATOM 574 CZ2 TRP A 36 -3.613 -19.682 -20.593 1.00 54.21 C ATOM 575 CZ3 TRP A 36 -3.530 -17.269 -20.559 1.00 51.33 C ATOM 576 CH2 TRP A 36 -3.931 -18.474 -21.151 1.00 60.25 C ATOM 0 H TRP A 36 0.153 -16.206 -15.359 1.00 63.23 H new ATOM 0 HA TRP A 36 0.984 -18.215 -17.091 1.00 63.20 H new ATOM 0 HB2 TRP A 36 -0.978 -18.423 -15.676 1.00 62.42 H new ATOM 0 HB3 TRP A 36 -1.757 -17.063 -16.460 1.00 62.42 H new ATOM 0 HD1 TRP A 36 -1.269 -20.801 -16.794 1.00 62.45 H new ATOM 0 HE1 TRP A 36 -2.570 -21.703 -18.842 1.00 14.44 H new ATOM 0 HE3 TRP A 36 -2.494 -16.326 -18.935 1.00 64.33 H new ATOM 0 HZ2 TRP A 36 -3.924 -20.609 -21.052 1.00 54.21 H new ATOM 0 HZ3 TRP A 36 -3.797 -16.333 -21.027 1.00 51.33 H new ATOM 0 HH2 TRP A 36 -4.503 -18.449 -22.067 1.00 60.25 H new ATOM 587 N ALA A 37 -0.193 -15.558 -18.606 1.00 44.31 N ATOM 588 CA ALA A 37 -0.324 -14.904 -19.902 1.00 44.43 C ATOM 589 C ALA A 37 1.039 -14.506 -20.457 1.00 10.44 C ATOM 590 O ALA A 37 1.329 -14.722 -21.633 1.00 61.03 O ATOM 591 CB ALA A 37 -1.228 -13.686 -19.790 1.00 21.34 C ATOM 0 H ALA A 37 -0.402 -14.958 -17.808 1.00 44.31 H new ATOM 0 HA ALA A 37 -0.775 -15.614 -20.595 1.00 44.43 H new ATOM 0 HB1 ALA A 37 -1.317 -13.208 -20.765 1.00 21.34 H new ATOM 0 HB2 ALA A 37 -2.215 -13.996 -19.447 1.00 21.34 H new ATOM 0 HB3 ALA A 37 -0.801 -12.980 -19.077 1.00 21.34 H new ATOM 597 N SER A 38 1.872 -13.922 -19.602 1.00 65.03 N ATOM 598 CA SER A 38 3.203 -13.489 -20.008 1.00 33.14 C ATOM 599 C SER A 38 3.965 -14.628 -20.679 1.00 2.20 C ATOM 600 O SER A 38 4.618 -14.433 -21.703 1.00 35.21 O ATOM 601 CB SER A 38 3.988 -12.979 -18.798 1.00 12.32 C ATOM 602 OG SER A 38 4.953 -13.930 -18.377 1.00 65.40 O ATOM 0 H SER A 38 1.648 -13.738 -18.624 1.00 65.03 H new ATOM 0 HA SER A 38 3.090 -12.678 -20.727 1.00 33.14 H new ATOM 0 HB2 SER A 38 4.483 -12.041 -19.051 1.00 12.32 H new ATOM 0 HB3 SER A 38 3.301 -12.766 -17.979 1.00 12.32 H new ATOM 0 HG SER A 38 5.442 -13.579 -17.603 1.00 65.40 H new ATOM 608 N ARG A 39 3.874 -15.818 -20.093 1.00 23.51 N ATOM 609 CA ARG A 39 4.554 -16.988 -20.632 1.00 51.10 C ATOM 610 C ARG A 39 3.968 -17.383 -21.985 1.00 1.22 C ATOM 611 O ARG A 39 4.648 -17.987 -22.813 1.00 52.15 O ATOM 612 CB ARG A 39 4.447 -18.161 -19.656 1.00 40.21 C ATOM 613 CG ARG A 39 5.463 -18.110 -18.527 1.00 31.32 C ATOM 614 CD ARG A 39 6.866 -18.420 -19.026 1.00 53.21 C ATOM 615 NE ARG A 39 7.856 -18.348 -17.956 1.00 30.03 N ATOM 616 CZ ARG A 39 9.164 -18.465 -18.155 1.00 14.30 C ATOM 617 NH1 ARG A 39 9.637 -18.659 -19.379 1.00 21.03 N ATOM 618 NH2 ARG A 39 10.003 -18.387 -17.130 1.00 11.54 N ATOM 0 H ARG A 39 3.336 -15.996 -19.245 1.00 23.51 H new ATOM 0 HA ARG A 39 5.605 -16.734 -20.771 1.00 51.10 H new ATOM 0 HB2 ARG A 39 3.444 -18.177 -19.230 1.00 40.21 H new ATOM 0 HB3 ARG A 39 4.575 -19.093 -20.206 1.00 40.21 H new ATOM 0 HG2 ARG A 39 5.449 -17.122 -18.068 1.00 31.32 H new ATOM 0 HG3 ARG A 39 5.185 -18.825 -17.753 1.00 31.32 H new ATOM 0 HD2 ARG A 39 6.882 -19.416 -19.468 1.00 53.21 H new ATOM 0 HD3 ARG A 39 7.134 -17.717 -19.815 1.00 53.21 H new ATOM 0 HE ARG A 39 7.525 -18.200 -17.003 1.00 30.03 H new ATOM 0 HH11 ARG A 39 8.996 -18.719 -20.170 1.00 21.03 H new ATOM 0 HH12 ARG A 39 10.642 -18.749 -19.529 1.00 21.03 H new ATOM 0 HH21 ARG A 39 9.644 -18.237 -16.187 1.00 11.54 H new ATOM 0 HH22 ARG A 39 11.007 -18.477 -17.285 1.00 11.54 H new ATOM 632 N GLU A 40 2.703 -17.036 -22.200 1.00 32.22 N ATOM 633 CA GLU A 40 2.026 -17.355 -23.451 1.00 42.22 C ATOM 634 C GLU A 40 2.340 -16.313 -24.521 1.00 53.35 C ATOM 635 O GLU A 40 2.426 -16.632 -25.708 1.00 21.41 O ATOM 636 CB GLU A 40 0.514 -17.437 -23.233 1.00 13.32 C ATOM 637 CG GLU A 40 -0.161 -18.528 -24.048 1.00 33.03 C ATOM 638 CD GLU A 40 -0.703 -19.651 -23.185 1.00 3.15 C ATOM 639 OE1 GLU A 40 0.067 -20.192 -22.365 1.00 40.44 O ATOM 640 OE2 GLU A 40 -1.897 -19.986 -23.329 1.00 4.11 O ATOM 0 H GLU A 40 2.127 -16.534 -21.524 1.00 32.22 H new ATOM 0 HA GLU A 40 2.390 -18.324 -23.793 1.00 42.22 H new ATOM 0 HB2 GLU A 40 0.317 -17.611 -22.175 1.00 13.32 H new ATOM 0 HB3 GLU A 40 0.066 -16.476 -23.487 1.00 13.32 H new ATOM 0 HG2 GLU A 40 -0.977 -18.093 -24.626 1.00 33.03 H new ATOM 0 HG3 GLU A 40 0.553 -18.937 -24.763 1.00 33.03 H new ATOM 647 N LEU A 41 2.511 -15.068 -24.093 1.00 30.13 N ATOM 648 CA LEU A 41 2.816 -13.978 -25.013 1.00 23.22 C ATOM 649 C LEU A 41 4.112 -14.250 -25.770 1.00 2.32 C ATOM 650 O LEU A 41 4.168 -14.114 -26.991 1.00 61.42 O ATOM 651 CB LEU A 41 2.925 -12.655 -24.251 1.00 44.44 C ATOM 652 CG LEU A 41 1.639 -11.835 -24.143 1.00 24.43 C ATOM 653 CD1 LEU A 41 1.873 -10.582 -23.314 1.00 35.30 C ATOM 654 CD2 LEU A 41 1.122 -11.471 -25.528 1.00 4.11 C ATOM 0 H LEU A 41 2.444 -14.788 -23.115 1.00 30.13 H new ATOM 0 HA LEU A 41 2.003 -13.908 -25.735 1.00 23.22 H new ATOM 0 HB2 LEU A 41 3.282 -12.867 -23.243 1.00 44.44 H new ATOM 0 HB3 LEU A 41 3.684 -12.041 -24.736 1.00 44.44 H new ATOM 0 HG LEU A 41 0.884 -12.442 -23.642 1.00 24.43 H new ATOM 0 HD11 LEU A 41 0.947 -10.011 -23.248 1.00 35.30 H new ATOM 0 HD12 LEU A 41 2.198 -10.864 -22.312 1.00 35.30 H new ATOM 0 HD13 LEU A 41 2.643 -9.972 -23.786 1.00 35.30 H new ATOM 0 HD21 LEU A 41 0.206 -10.888 -25.433 1.00 4.11 H new ATOM 0 HD22 LEU A 41 1.874 -10.883 -26.054 1.00 4.11 H new ATOM 0 HD23 LEU A 41 0.915 -12.382 -26.090 1.00 4.11 H new ATOM 666 N GLU A 42 5.150 -14.636 -25.035 1.00 21.42 N ATOM 667 CA GLU A 42 6.446 -14.929 -25.638 1.00 24.22 C ATOM 668 C GLU A 42 6.310 -15.987 -26.730 1.00 33.43 C ATOM 669 O GLU A 42 7.119 -16.044 -27.657 1.00 13.23 O ATOM 670 CB GLU A 42 7.433 -15.404 -24.572 1.00 54.40 C ATOM 671 CG GLU A 42 8.481 -14.366 -24.206 1.00 72.24 C ATOM 672 CD GLU A 42 8.716 -14.274 -22.711 1.00 3.41 C ATOM 673 OE1 GLU A 42 7.735 -14.395 -21.948 1.00 11.32 O ATOM 674 OE2 GLU A 42 9.881 -14.082 -22.304 1.00 31.12 O ATOM 0 H GLU A 42 5.119 -14.753 -24.022 1.00 21.42 H new ATOM 0 HA GLU A 42 6.825 -14.012 -26.089 1.00 24.22 H new ATOM 0 HB2 GLU A 42 6.880 -15.681 -23.675 1.00 54.40 H new ATOM 0 HB3 GLU A 42 7.934 -16.304 -24.928 1.00 54.40 H new ATOM 0 HG2 GLU A 42 9.419 -14.612 -24.703 1.00 72.24 H new ATOM 0 HG3 GLU A 42 8.168 -13.392 -24.581 1.00 72.24 H new ATOM 681 N ARG A 43 5.283 -16.821 -26.612 1.00 74.13 N ATOM 682 CA ARG A 43 5.044 -17.878 -27.588 1.00 40.12 C ATOM 683 C ARG A 43 4.485 -17.303 -28.886 1.00 52.21 C ATOM 684 O ARG A 43 4.670 -17.876 -29.961 1.00 33.34 O ATOM 685 CB ARG A 43 4.074 -18.916 -27.018 1.00 31.11 C ATOM 686 CG ARG A 43 4.155 -20.268 -27.709 1.00 13.25 C ATOM 687 CD ARG A 43 4.649 -21.349 -26.760 1.00 0.52 C ATOM 688 NE ARG A 43 6.061 -21.181 -26.426 1.00 72.21 N ATOM 689 CZ ARG A 43 7.055 -21.566 -27.220 1.00 45.11 C ATOM 690 NH1 ARG A 43 6.792 -22.137 -28.386 1.00 62.34 N ATOM 691 NH2 ARG A 43 8.314 -21.379 -26.846 1.00 62.14 N ATOM 0 H ARG A 43 4.604 -16.786 -25.852 1.00 74.13 H new ATOM 0 HA ARG A 43 5.997 -18.361 -27.805 1.00 40.12 H new ATOM 0 HB2 ARG A 43 4.279 -19.047 -25.955 1.00 31.11 H new ATOM 0 HB3 ARG A 43 3.056 -18.535 -27.102 1.00 31.11 H new ATOM 0 HG2 ARG A 43 3.172 -20.541 -28.093 1.00 13.25 H new ATOM 0 HG3 ARG A 43 4.825 -20.200 -28.566 1.00 13.25 H new ATOM 0 HD2 ARG A 43 4.055 -21.328 -25.846 1.00 0.52 H new ATOM 0 HD3 ARG A 43 4.498 -22.328 -27.215 1.00 0.52 H new ATOM 0 HE ARG A 43 6.297 -20.744 -25.535 1.00 72.21 H new ATOM 0 HH11 ARG A 43 5.825 -22.282 -28.676 1.00 62.34 H new ATOM 0 HH12 ARG A 43 7.557 -22.432 -28.994 1.00 62.34 H new ATOM 0 HH21 ARG A 43 8.520 -20.940 -25.949 1.00 62.14 H new ATOM 0 HH22 ARG A 43 9.076 -21.675 -27.456 1.00 62.14 H new ATOM 705 N PHE A 44 3.801 -16.170 -28.778 1.00 71.53 N ATOM 706 CA PHE A 44 3.214 -15.518 -29.944 1.00 73.25 C ATOM 707 C PHE A 44 4.139 -14.429 -30.482 1.00 41.45 C ATOM 708 O PHE A 44 3.688 -13.474 -31.112 1.00 10.04 O ATOM 709 CB PHE A 44 1.853 -14.916 -29.587 1.00 10.21 C ATOM 710 CG PHE A 44 0.787 -15.946 -29.347 1.00 61.25 C ATOM 711 CD1 PHE A 44 0.347 -16.760 -30.379 1.00 25.42 C ATOM 712 CD2 PHE A 44 0.224 -16.100 -28.091 1.00 51.01 C ATOM 713 CE1 PHE A 44 -0.635 -17.709 -30.162 1.00 23.51 C ATOM 714 CE2 PHE A 44 -0.758 -17.048 -27.868 1.00 13.12 C ATOM 715 CZ PHE A 44 -1.188 -17.853 -28.905 1.00 32.51 C ATOM 0 H PHE A 44 3.639 -15.684 -27.896 1.00 71.53 H new ATOM 0 HA PHE A 44 3.078 -16.271 -30.720 1.00 73.25 H new ATOM 0 HB2 PHE A 44 1.960 -14.300 -28.694 1.00 10.21 H new ATOM 0 HB3 PHE A 44 1.534 -14.255 -30.393 1.00 10.21 H new ATOM 0 HD1 PHE A 44 0.776 -16.652 -31.364 1.00 25.42 H new ATOM 0 HD2 PHE A 44 0.556 -15.473 -27.277 1.00 51.01 H new ATOM 0 HE1 PHE A 44 -0.969 -18.337 -30.975 1.00 23.51 H new ATOM 0 HE2 PHE A 44 -1.188 -17.159 -26.884 1.00 13.12 H new ATOM 0 HZ PHE A 44 -1.955 -18.593 -28.733 1.00 32.51 H new ATOM 725 N ALA A 45 5.434 -14.583 -30.227 1.00 2.02 N ATOM 726 CA ALA A 45 6.422 -13.616 -30.686 1.00 32.43 C ATOM 727 C ALA A 45 6.203 -12.255 -30.034 1.00 4.03 C ATOM 728 O ALA A 45 6.636 -11.228 -30.556 1.00 2.03 O ATOM 729 CB ALA A 45 6.375 -13.490 -32.201 1.00 41.02 C ATOM 0 H ALA A 45 5.823 -15.368 -29.705 1.00 2.02 H new ATOM 0 HA ALA A 45 7.408 -13.976 -30.393 1.00 32.43 H new ATOM 0 HB1 ALA A 45 7.119 -12.764 -32.529 1.00 41.02 H new ATOM 0 HB2 ALA A 45 6.589 -14.458 -32.653 1.00 41.02 H new ATOM 0 HB3 ALA A 45 5.383 -13.157 -32.508 1.00 41.02 H new ATOM 735 N VAL A 46 5.526 -12.254 -28.890 1.00 0.42 N ATOM 736 CA VAL A 46 5.249 -11.020 -28.165 1.00 34.11 C ATOM 737 C VAL A 46 5.898 -11.034 -26.786 1.00 4.10 C ATOM 738 O VAL A 46 5.739 -11.988 -26.024 1.00 31.53 O ATOM 739 CB VAL A 46 3.734 -10.791 -28.006 1.00 34.52 C ATOM 740 CG1 VAL A 46 3.467 -9.521 -27.212 1.00 31.11 C ATOM 741 CG2 VAL A 46 3.059 -10.729 -29.367 1.00 71.20 C ATOM 0 H VAL A 46 5.159 -13.095 -28.445 1.00 0.42 H new ATOM 0 HA VAL A 46 5.672 -10.206 -28.753 1.00 34.11 H new ATOM 0 HB VAL A 46 3.313 -11.632 -27.455 1.00 34.52 H new ATOM 0 HG11 VAL A 46 2.392 -9.375 -27.110 1.00 31.11 H new ATOM 0 HG12 VAL A 46 3.917 -9.609 -26.223 1.00 31.11 H new ATOM 0 HG13 VAL A 46 3.901 -8.668 -27.734 1.00 31.11 H new ATOM 0 HG21 VAL A 46 1.989 -10.567 -29.236 1.00 71.20 H new ATOM 0 HG22 VAL A 46 3.482 -9.908 -29.946 1.00 71.20 H new ATOM 0 HG23 VAL A 46 3.221 -11.668 -29.897 1.00 71.20 H new ATOM 751 N ASN A 47 6.630 -9.970 -26.470 1.00 44.25 N ATOM 752 CA ASN A 47 7.302 -9.861 -25.182 1.00 14.25 C ATOM 753 C ASN A 47 6.297 -9.609 -24.062 1.00 55.22 C ATOM 754 O ASN A 47 5.313 -8.888 -24.227 1.00 72.03 O ATOM 755 CB ASN A 47 8.336 -8.732 -25.217 1.00 43.41 C ATOM 756 CG ASN A 47 9.515 -9.056 -26.113 1.00 74.05 C ATOM 757 OD1 ASN A 47 9.569 -8.627 -27.266 1.00 11.23 O ATOM 758 ND2 ASN A 47 10.467 -9.817 -25.586 1.00 53.23 N ATOM 0 H ASN A 47 6.772 -9.172 -27.089 1.00 44.25 H new ATOM 0 HA ASN A 47 7.809 -10.805 -24.985 1.00 14.25 H new ATOM 0 HB2 ASN A 47 7.859 -7.816 -25.566 1.00 43.41 H new ATOM 0 HB3 ASN A 47 8.694 -8.539 -24.206 1.00 43.41 H new ATOM 0 HD21 ASN A 47 11.285 -10.068 -26.141 1.00 53.23 H new ATOM 0 HD22 ASN A 47 10.380 -10.150 -24.626 1.00 53.23 H new ATOM 765 N PRO A 48 6.548 -10.217 -22.893 1.00 35.00 N ATOM 766 CA PRO A 48 5.678 -10.074 -21.722 1.00 64.43 C ATOM 767 C PRO A 48 5.742 -8.674 -21.120 1.00 44.05 C ATOM 768 O PRO A 48 4.961 -8.334 -20.232 1.00 75.30 O ATOM 769 CB PRO A 48 6.235 -11.106 -20.738 1.00 65.50 C ATOM 770 CG PRO A 48 7.661 -11.274 -21.132 1.00 73.21 C ATOM 771 CD PRO A 48 7.703 -11.090 -22.624 1.00 54.55 C ATOM 0 HA PRO A 48 4.628 -10.228 -21.973 1.00 64.43 H new ATOM 0 HB2 PRO A 48 6.147 -10.759 -19.708 1.00 65.50 H new ATOM 0 HB3 PRO A 48 5.692 -12.049 -20.804 1.00 65.50 H new ATOM 0 HG2 PRO A 48 8.293 -10.541 -20.631 1.00 73.21 H new ATOM 0 HG3 PRO A 48 8.030 -12.260 -20.850 1.00 73.21 H new ATOM 0 HD2 PRO A 48 8.638 -10.631 -22.946 1.00 54.55 H new ATOM 0 HD3 PRO A 48 7.618 -12.042 -23.149 1.00 54.55 H new ATOM 779 N GLY A 49 6.677 -7.867 -21.610 1.00 62.22 N ATOM 780 CA GLY A 49 6.825 -6.513 -21.108 1.00 34.44 C ATOM 781 C GLY A 49 5.880 -5.538 -21.782 1.00 4.12 C ATOM 782 O GLY A 49 6.028 -4.323 -21.647 1.00 33.01 O ATOM 0 H GLY A 49 7.335 -8.126 -22.345 1.00 62.22 H new ATOM 0 HA2 GLY A 49 6.644 -6.506 -20.033 1.00 34.44 H new ATOM 0 HA3 GLY A 49 7.852 -6.183 -21.260 1.00 34.44 H new ATOM 786 N LEU A 50 4.906 -6.070 -22.512 1.00 42.51 N ATOM 787 CA LEU A 50 3.933 -5.239 -23.212 1.00 60.51 C ATOM 788 C LEU A 50 2.655 -5.090 -22.394 1.00 1.13 C ATOM 789 O LEU A 50 1.928 -4.105 -22.531 1.00 44.45 O ATOM 790 CB LEU A 50 3.608 -5.841 -24.581 1.00 35.13 C ATOM 791 CG LEU A 50 4.779 -5.952 -25.558 1.00 61.34 C ATOM 792 CD1 LEU A 50 4.296 -6.444 -26.914 1.00 54.02 C ATOM 793 CD2 LEU A 50 5.488 -4.613 -25.698 1.00 2.41 C ATOM 0 H LEU A 50 4.769 -7.073 -22.635 1.00 42.51 H new ATOM 0 HA LEU A 50 4.371 -4.251 -23.351 1.00 60.51 H new ATOM 0 HB2 LEU A 50 3.192 -6.837 -24.429 1.00 35.13 H new ATOM 0 HB3 LEU A 50 2.828 -5.237 -25.046 1.00 35.13 H new ATOM 0 HG LEU A 50 5.490 -6.677 -25.161 1.00 61.34 H new ATOM 0 HD11 LEU A 50 5.142 -6.517 -27.597 1.00 54.02 H new ATOM 0 HD12 LEU A 50 3.834 -7.425 -26.802 1.00 54.02 H new ATOM 0 HD13 LEU A 50 3.565 -5.743 -27.316 1.00 54.02 H new ATOM 0 HD21 LEU A 50 6.318 -4.712 -26.397 1.00 2.41 H new ATOM 0 HD22 LEU A 50 4.786 -3.867 -26.071 1.00 2.41 H new ATOM 0 HD23 LEU A 50 5.868 -4.299 -24.726 1.00 2.41 H new ATOM 805 N LEU A 51 2.388 -6.072 -21.540 1.00 2.32 N ATOM 806 CA LEU A 51 1.198 -6.050 -20.697 1.00 42.43 C ATOM 807 C LEU A 51 1.305 -4.963 -19.632 1.00 5.04 C ATOM 808 O LEU A 51 0.294 -4.452 -19.150 1.00 51.52 O ATOM 809 CB LEU A 51 0.994 -7.413 -20.032 1.00 14.12 C ATOM 810 CG LEU A 51 0.842 -8.605 -20.976 1.00 74.41 C ATOM 811 CD1 LEU A 51 1.180 -9.903 -20.258 1.00 34.45 C ATOM 812 CD2 LEU A 51 -0.569 -8.659 -21.543 1.00 51.03 C ATOM 0 H LEU A 51 2.979 -6.893 -21.413 1.00 2.32 H new ATOM 0 HA LEU A 51 0.339 -5.829 -21.330 1.00 42.43 H new ATOM 0 HB2 LEU A 51 1.841 -7.603 -19.373 1.00 14.12 H new ATOM 0 HB3 LEU A 51 0.106 -7.358 -19.403 1.00 14.12 H new ATOM 0 HG LEU A 51 1.541 -8.480 -21.803 1.00 74.41 H new ATOM 0 HD11 LEU A 51 1.066 -10.740 -20.947 1.00 34.45 H new ATOM 0 HD12 LEU A 51 2.209 -9.864 -19.901 1.00 34.45 H new ATOM 0 HD13 LEU A 51 0.507 -10.036 -19.411 1.00 34.45 H new ATOM 0 HD21 LEU A 51 -0.659 -9.514 -22.213 1.00 51.03 H new ATOM 0 HD22 LEU A 51 -1.285 -8.760 -20.728 1.00 51.03 H new ATOM 0 HD23 LEU A 51 -0.775 -7.742 -22.095 1.00 51.03 H new ATOM 824 N GLU A 52 2.536 -4.613 -19.273 1.00 61.02 N ATOM 825 CA GLU A 52 2.773 -3.584 -18.267 1.00 52.21 C ATOM 826 C GLU A 52 2.527 -2.192 -18.842 1.00 42.45 C ATOM 827 O GLU A 52 2.558 -1.196 -18.120 1.00 20.42 O ATOM 828 CB GLU A 52 4.205 -3.682 -17.735 1.00 41.40 C ATOM 829 CG GLU A 52 5.256 -3.204 -18.724 1.00 3.53 C ATOM 830 CD GLU A 52 6.565 -3.957 -18.591 1.00 74.21 C ATOM 831 OE1 GLU A 52 6.718 -4.714 -17.609 1.00 33.24 O ATOM 832 OE2 GLU A 52 7.436 -3.791 -19.471 1.00 14.43 O ATOM 0 H GLU A 52 3.383 -5.026 -19.663 1.00 61.02 H new ATOM 0 HA GLU A 52 2.075 -3.747 -17.446 1.00 52.21 H new ATOM 0 HB2 GLU A 52 4.285 -3.094 -16.820 1.00 41.40 H new ATOM 0 HB3 GLU A 52 4.414 -4.718 -17.468 1.00 41.40 H new ATOM 0 HG2 GLU A 52 4.875 -3.321 -19.739 1.00 3.53 H new ATOM 0 HG3 GLU A 52 5.436 -2.140 -18.572 1.00 3.53 H new ATOM 839 N THR A 53 2.281 -2.134 -20.147 1.00 20.22 N ATOM 840 CA THR A 53 2.030 -0.866 -20.820 1.00 32.22 C ATOM 841 C THR A 53 0.659 -0.857 -21.485 1.00 61.15 C ATOM 842 O THR A 53 0.303 -1.788 -22.209 1.00 74.32 O ATOM 843 CB THR A 53 3.105 -0.572 -21.884 1.00 13.12 C ATOM 844 OG1 THR A 53 2.917 -1.424 -23.019 1.00 23.23 O ATOM 845 CG2 THR A 53 4.501 -0.780 -21.315 1.00 3.12 C ATOM 0 H THR A 53 2.250 -2.950 -20.758 1.00 20.22 H new ATOM 0 HA THR A 53 2.064 -0.091 -20.054 1.00 32.22 H new ATOM 0 HB THR A 53 3.005 0.469 -22.191 1.00 13.12 H new ATOM 0 HG1 THR A 53 2.480 -2.254 -22.736 1.00 23.23 H new ATOM 0 HG21 THR A 53 5.243 -0.567 -22.084 1.00 3.12 H new ATOM 0 HG22 THR A 53 4.653 -0.110 -20.469 1.00 3.12 H new ATOM 0 HG23 THR A 53 4.609 -1.813 -20.984 1.00 3.12 H new ATOM 853 N SER A 54 -0.109 0.198 -21.236 1.00 34.13 N ATOM 854 CA SER A 54 -1.444 0.325 -21.808 1.00 22.23 C ATOM 855 C SER A 54 -1.396 0.210 -23.329 1.00 3.11 C ATOM 856 O SER A 54 -2.374 -0.185 -23.962 1.00 54.20 O ATOM 857 CB SER A 54 -2.069 1.663 -21.406 1.00 14.01 C ATOM 858 OG SER A 54 -1.680 2.696 -22.295 1.00 1.12 O ATOM 0 H SER A 54 0.171 0.978 -20.641 1.00 34.13 H new ATOM 0 HA SER A 54 -2.058 -0.487 -21.418 1.00 22.23 H new ATOM 0 HB2 SER A 54 -3.155 1.573 -21.401 1.00 14.01 H new ATOM 0 HB3 SER A 54 -1.766 1.919 -20.391 1.00 14.01 H new ATOM 0 HG SER A 54 -0.721 2.621 -22.484 1.00 1.12 H new ATOM 864 N GLU A 55 -0.252 0.559 -23.907 1.00 34.23 N ATOM 865 CA GLU A 55 -0.076 0.496 -25.353 1.00 14.22 C ATOM 866 C GLU A 55 0.149 -0.942 -25.811 1.00 75.54 C ATOM 867 O GLU A 55 -0.443 -1.394 -26.789 1.00 65.40 O ATOM 868 CB GLU A 55 1.102 1.371 -25.785 1.00 2.12 C ATOM 869 CG GLU A 55 0.748 2.842 -25.927 1.00 34.23 C ATOM 870 CD GLU A 55 1.270 3.681 -24.777 1.00 43.31 C ATOM 871 OE1 GLU A 55 0.746 3.537 -23.652 1.00 22.32 O ATOM 872 OE2 GLU A 55 2.202 4.481 -25.001 1.00 23.43 O ATOM 0 H GLU A 55 0.567 0.888 -23.396 1.00 34.23 H new ATOM 0 HA GLU A 55 -0.987 0.870 -25.821 1.00 14.22 H new ATOM 0 HB2 GLU A 55 1.906 1.268 -25.057 1.00 2.12 H new ATOM 0 HB3 GLU A 55 1.486 1.005 -26.737 1.00 2.12 H new ATOM 0 HG2 GLU A 55 1.157 3.221 -26.864 1.00 34.23 H new ATOM 0 HG3 GLU A 55 -0.335 2.947 -25.986 1.00 34.23 H new ATOM 879 N GLY A 56 1.013 -1.657 -25.096 1.00 33.12 N ATOM 880 CA GLY A 56 1.303 -3.035 -25.444 1.00 54.24 C ATOM 881 C GLY A 56 0.065 -3.909 -25.431 1.00 51.02 C ATOM 882 O GLY A 56 -0.175 -4.670 -26.370 1.00 4.33 O ATOM 0 H GLY A 56 1.517 -1.306 -24.282 1.00 33.12 H new ATOM 0 HA2 GLY A 56 1.757 -3.069 -26.434 1.00 54.24 H new ATOM 0 HA3 GLY A 56 2.035 -3.437 -24.744 1.00 54.24 H new ATOM 886 N CYS A 57 -0.721 -3.803 -24.366 1.00 23.30 N ATOM 887 CA CYS A 57 -1.941 -4.592 -24.234 1.00 31.31 C ATOM 888 C CYS A 57 -2.846 -4.401 -25.447 1.00 52.44 C ATOM 889 O CYS A 57 -3.393 -5.365 -25.983 1.00 65.03 O ATOM 890 CB CYS A 57 -2.690 -4.203 -22.958 1.00 73.32 C ATOM 891 SG CYS A 57 -2.402 -5.318 -21.565 1.00 11.11 S ATOM 0 H CYS A 57 -0.536 -3.179 -23.581 1.00 23.30 H new ATOM 0 HA CYS A 57 -1.659 -5.643 -24.175 1.00 31.31 H new ATOM 0 HB2 CYS A 57 -2.395 -3.194 -22.669 1.00 73.32 H new ATOM 0 HB3 CYS A 57 -3.759 -4.174 -23.171 1.00 73.32 H new ATOM 0 HG CYS A 57 -3.075 -4.905 -20.532 1.00 11.11 H new ATOM 897 N ARG A 58 -2.999 -3.152 -25.874 1.00 24.22 N ATOM 898 CA ARG A 58 -3.840 -2.835 -27.022 1.00 0.31 C ATOM 899 C ARG A 58 -3.380 -3.598 -28.260 1.00 63.04 C ATOM 900 O ARG A 58 -4.185 -4.223 -28.950 1.00 41.52 O ATOM 901 CB ARG A 58 -3.816 -1.330 -27.299 1.00 43.12 C ATOM 902 CG ARG A 58 -5.158 -0.650 -27.085 1.00 64.13 C ATOM 903 CD ARG A 58 -5.727 -0.117 -28.392 1.00 14.22 C ATOM 904 NE ARG A 58 -4.830 0.846 -29.025 1.00 24.34 N ATOM 905 CZ ARG A 58 -5.174 1.596 -30.067 1.00 12.40 C ATOM 906 NH1 ARG A 58 -6.388 1.493 -30.589 1.00 62.00 N ATOM 907 NH2 ARG A 58 -4.302 2.449 -30.588 1.00 11.24 N ATOM 0 H ARG A 58 -2.552 -2.343 -25.442 1.00 24.22 H new ATOM 0 HA ARG A 58 -4.860 -3.138 -26.788 1.00 0.31 H new ATOM 0 HB2 ARG A 58 -3.074 -0.862 -26.652 1.00 43.12 H new ATOM 0 HB3 ARG A 58 -3.494 -1.163 -28.327 1.00 43.12 H new ATOM 0 HG2 ARG A 58 -5.859 -1.358 -26.643 1.00 64.13 H new ATOM 0 HG3 ARG A 58 -5.043 0.170 -26.376 1.00 64.13 H new ATOM 0 HD2 ARG A 58 -5.908 -0.947 -29.074 1.00 14.22 H new ATOM 0 HD3 ARG A 58 -6.691 0.355 -28.202 1.00 14.22 H new ATOM 0 HE ARG A 58 -3.888 0.949 -28.647 1.00 24.34 H new ATOM 0 HH11 ARG A 58 -7.060 0.837 -30.191 1.00 62.00 H new ATOM 0 HH12 ARG A 58 -6.650 2.070 -31.389 1.00 62.00 H new ATOM 0 HH21 ARG A 58 -3.367 2.530 -30.189 1.00 11.24 H new ATOM 0 HH22 ARG A 58 -4.567 3.024 -31.388 1.00 11.24 H new ATOM 921 N GLN A 59 -2.081 -3.541 -28.536 1.00 21.13 N ATOM 922 CA GLN A 59 -1.515 -4.225 -29.692 1.00 71.34 C ATOM 923 C GLN A 59 -1.800 -5.722 -29.632 1.00 52.14 C ATOM 924 O GLN A 59 -1.925 -6.382 -30.664 1.00 64.34 O ATOM 925 CB GLN A 59 -0.006 -3.984 -29.766 1.00 14.04 C ATOM 926 CG GLN A 59 0.621 -4.447 -31.070 1.00 52.12 C ATOM 927 CD GLN A 59 0.091 -3.693 -32.274 1.00 43.23 C ATOM 928 OE1 GLN A 59 -0.367 -2.557 -32.155 1.00 62.30 O ATOM 929 NE2 GLN A 59 0.150 -4.323 -33.441 1.00 74.33 N ATOM 0 H GLN A 59 -1.401 -3.028 -27.975 1.00 21.13 H new ATOM 0 HA GLN A 59 -1.985 -3.820 -30.588 1.00 71.34 H new ATOM 0 HB2 GLN A 59 0.190 -2.920 -29.636 1.00 14.04 H new ATOM 0 HB3 GLN A 59 0.477 -4.501 -28.937 1.00 14.04 H new ATOM 0 HG2 GLN A 59 1.702 -4.320 -31.014 1.00 52.12 H new ATOM 0 HG3 GLN A 59 0.432 -5.512 -31.201 1.00 52.12 H new ATOM 0 HE21 GLN A 59 0.538 -5.265 -33.493 1.00 74.33 H new ATOM 0 HE22 GLN A 59 -0.193 -3.865 -34.286 1.00 74.33 H new ATOM 938 N ILE A 60 -1.901 -6.251 -28.417 1.00 55.34 N ATOM 939 CA ILE A 60 -2.172 -7.670 -28.223 1.00 63.14 C ATOM 940 C ILE A 60 -3.649 -7.982 -28.439 1.00 43.52 C ATOM 941 O ILE A 60 -3.998 -8.960 -29.101 1.00 42.25 O ATOM 942 CB ILE A 60 -1.761 -8.134 -26.814 1.00 42.41 C ATOM 943 CG1 ILE A 60 -0.274 -7.863 -26.577 1.00 0.41 C ATOM 944 CG2 ILE A 60 -2.071 -9.613 -26.632 1.00 33.22 C ATOM 945 CD1 ILE A 60 0.118 -7.885 -25.115 1.00 74.45 C ATOM 0 H ILE A 60 -1.799 -5.719 -27.553 1.00 55.34 H new ATOM 0 HA ILE A 60 -1.578 -8.209 -28.961 1.00 63.14 H new ATOM 0 HB ILE A 60 -2.335 -7.569 -26.080 1.00 42.41 H new ATOM 0 HG12 ILE A 60 0.313 -8.608 -27.114 1.00 0.41 H new ATOM 0 HG13 ILE A 60 -0.018 -6.891 -26.999 1.00 0.41 H new ATOM 0 HG21 ILE A 60 -1.775 -9.926 -25.631 1.00 33.22 H new ATOM 0 HG22 ILE A 60 -3.140 -9.779 -26.763 1.00 33.22 H new ATOM 0 HG23 ILE A 60 -1.520 -10.194 -27.372 1.00 33.22 H new ATOM 0 HD11 ILE A 60 1.185 -7.685 -25.021 1.00 74.45 H new ATOM 0 HD12 ILE A 60 -0.443 -7.121 -24.576 1.00 74.45 H new ATOM 0 HD13 ILE A 60 -0.106 -8.865 -24.693 1.00 74.45 H new ATOM 957 N LEU A 61 -4.513 -7.145 -27.877 1.00 34.34 N ATOM 958 CA LEU A 61 -5.954 -7.328 -28.009 1.00 52.34 C ATOM 959 C LEU A 61 -6.398 -7.130 -29.454 1.00 64.04 C ATOM 960 O LEU A 61 -7.413 -7.678 -29.884 1.00 54.25 O ATOM 961 CB LEU A 61 -6.699 -6.353 -27.096 1.00 51.54 C ATOM 962 CG LEU A 61 -6.439 -6.506 -25.597 1.00 10.15 C ATOM 963 CD1 LEU A 61 -6.786 -5.221 -24.861 1.00 30.30 C ATOM 964 CD2 LEU A 61 -7.234 -7.675 -25.035 1.00 44.42 C ATOM 0 H LEU A 61 -4.241 -6.332 -27.325 1.00 34.34 H new ATOM 0 HA LEU A 61 -6.194 -8.349 -27.711 1.00 52.34 H new ATOM 0 HB2 LEU A 61 -6.433 -5.337 -27.389 1.00 51.54 H new ATOM 0 HB3 LEU A 61 -7.769 -6.466 -27.272 1.00 51.54 H new ATOM 0 HG LEU A 61 -5.378 -6.709 -25.451 1.00 10.15 H new ATOM 0 HD11 LEU A 61 -6.595 -5.349 -23.796 1.00 30.30 H new ATOM 0 HD12 LEU A 61 -6.173 -4.405 -25.244 1.00 30.30 H new ATOM 0 HD13 LEU A 61 -7.839 -4.987 -25.015 1.00 30.30 H new ATOM 0 HD21 LEU A 61 -7.037 -7.769 -23.967 1.00 44.42 H new ATOM 0 HD22 LEU A 61 -8.298 -7.501 -25.194 1.00 44.42 H new ATOM 0 HD23 LEU A 61 -6.937 -8.594 -25.541 1.00 44.42 H new ATOM 976 N GLY A 62 -5.630 -6.343 -30.202 1.00 40.33 N ATOM 977 CA GLY A 62 -5.960 -6.087 -31.592 1.00 62.14 C ATOM 978 C GLY A 62 -5.843 -7.329 -32.453 1.00 41.31 C ATOM 979 O GLY A 62 -6.519 -7.449 -33.474 1.00 23.20 O ATOM 0 H GLY A 62 -4.785 -5.878 -29.870 1.00 40.33 H new ATOM 0 HA2 GLY A 62 -6.977 -5.699 -31.655 1.00 62.14 H new ATOM 0 HA3 GLY A 62 -5.299 -5.314 -31.983 1.00 62.14 H new ATOM 983 N GLN A 63 -4.983 -8.255 -32.040 1.00 63.34 N ATOM 984 CA GLN A 63 -4.779 -9.493 -32.784 1.00 23.52 C ATOM 985 C GLN A 63 -5.778 -10.561 -32.348 1.00 32.02 C ATOM 986 O GLN A 63 -6.328 -11.286 -33.176 1.00 65.53 O ATOM 987 CB GLN A 63 -3.351 -10.002 -32.586 1.00 2.33 C ATOM 988 CG GLN A 63 -2.408 -9.625 -33.718 1.00 52.34 C ATOM 989 CD GLN A 63 -1.514 -8.454 -33.367 1.00 33.03 C ATOM 990 OE1 GLN A 63 -0.778 -8.493 -32.380 1.00 54.22 O ATOM 991 NE2 GLN A 63 -1.572 -7.401 -34.175 1.00 15.44 N ATOM 0 H GLN A 63 -4.417 -8.172 -31.196 1.00 63.34 H new ATOM 0 HA GLN A 63 -4.938 -9.283 -33.842 1.00 23.52 H new ATOM 0 HB2 GLN A 63 -2.959 -9.604 -31.650 1.00 2.33 H new ATOM 0 HB3 GLN A 63 -3.371 -11.087 -32.487 1.00 2.33 H new ATOM 0 HG2 GLN A 63 -1.790 -10.486 -33.972 1.00 52.34 H new ATOM 0 HG3 GLN A 63 -2.992 -9.378 -34.605 1.00 52.34 H new ATOM 0 HE21 GLN A 63 -2.196 -7.411 -34.982 1.00 15.44 H new ATOM 0 HE22 GLN A 63 -0.993 -6.583 -33.989 1.00 15.44 H new ATOM 1000 N LEU A 64 -6.006 -10.652 -31.042 1.00 35.22 N ATOM 1001 CA LEU A 64 -6.937 -11.631 -30.494 1.00 61.43 C ATOM 1002 C LEU A 64 -8.381 -11.225 -30.774 1.00 20.13 C ATOM 1003 O LEU A 64 -9.271 -12.071 -30.844 1.00 74.34 O ATOM 1004 CB LEU A 64 -6.721 -11.785 -28.988 1.00 23.34 C ATOM 1005 CG LEU A 64 -5.287 -12.074 -28.543 1.00 3.20 C ATOM 1006 CD1 LEU A 64 -5.192 -12.082 -27.025 1.00 14.12 C ATOM 1007 CD2 LEU A 64 -4.807 -13.400 -29.116 1.00 1.13 C ATOM 0 H LEU A 64 -5.558 -10.059 -30.343 1.00 35.22 H new ATOM 0 HA LEU A 64 -6.747 -12.588 -30.980 1.00 61.43 H new ATOM 0 HB2 LEU A 64 -7.055 -10.871 -28.498 1.00 23.34 H new ATOM 0 HB3 LEU A 64 -7.361 -12.591 -28.630 1.00 23.34 H new ATOM 0 HG LEU A 64 -4.642 -11.282 -28.924 1.00 3.20 H new ATOM 0 HD11 LEU A 64 -4.165 -12.289 -26.726 1.00 14.12 H new ATOM 0 HD12 LEU A 64 -5.494 -11.109 -26.636 1.00 14.12 H new ATOM 0 HD13 LEU A 64 -5.849 -12.853 -26.623 1.00 14.12 H new ATOM 0 HD21 LEU A 64 -3.785 -13.589 -28.789 1.00 1.13 H new ATOM 0 HD22 LEU A 64 -5.455 -14.204 -28.765 1.00 1.13 H new ATOM 0 HD23 LEU A 64 -4.838 -13.358 -30.205 1.00 1.13 H new ATOM 1019 N GLN A 65 -8.604 -9.924 -30.933 1.00 72.11 N ATOM 1020 CA GLN A 65 -9.938 -9.406 -31.207 1.00 5.53 C ATOM 1021 C GLN A 65 -10.572 -10.130 -32.390 1.00 53.40 C ATOM 1022 O GLN A 65 -11.609 -10.783 -32.267 1.00 30.20 O ATOM 1023 CB GLN A 65 -9.879 -7.903 -31.486 1.00 53.11 C ATOM 1024 CG GLN A 65 -10.257 -7.047 -30.288 1.00 32.21 C ATOM 1025 CD GLN A 65 -11.574 -6.323 -30.480 1.00 62.12 C ATOM 1026 OE1 GLN A 65 -12.567 -6.631 -29.820 1.00 5.12 O ATOM 1027 NE2 GLN A 65 -11.592 -5.355 -31.389 1.00 61.23 N ATOM 0 H GLN A 65 -7.878 -9.210 -30.877 1.00 72.11 H new ATOM 0 HA GLN A 65 -10.555 -9.580 -30.325 1.00 5.53 H new ATOM 0 HB2 GLN A 65 -8.871 -7.641 -31.806 1.00 53.11 H new ATOM 0 HB3 GLN A 65 -10.547 -7.669 -32.315 1.00 53.11 H new ATOM 0 HG2 GLN A 65 -10.319 -7.678 -29.401 1.00 32.21 H new ATOM 0 HG3 GLN A 65 -9.469 -6.317 -30.105 1.00 32.21 H new ATOM 0 HE21 GLN A 65 -10.746 -5.132 -31.914 1.00 61.23 H new ATOM 0 HE22 GLN A 65 -12.452 -4.834 -31.562 1.00 61.23 H new ATOM 1036 N PRO A 66 -9.936 -10.013 -33.565 1.00 45.10 N ATOM 1037 CA PRO A 66 -10.420 -10.650 -34.793 1.00 33.41 C ATOM 1038 C PRO A 66 -10.275 -12.168 -34.756 1.00 3.23 C ATOM 1039 O PRO A 66 -10.904 -12.880 -35.539 1.00 14.25 O ATOM 1040 CB PRO A 66 -9.520 -10.054 -35.879 1.00 53.13 C ATOM 1041 CG PRO A 66 -8.272 -9.666 -35.166 1.00 34.11 C ATOM 1042 CD PRO A 66 -8.696 -9.251 -33.785 1.00 22.12 C ATOM 0 HA PRO A 66 -11.483 -10.470 -34.953 1.00 33.41 H new ATOM 0 HB2 PRO A 66 -9.317 -10.779 -36.667 1.00 53.13 H new ATOM 0 HB3 PRO A 66 -9.989 -9.192 -36.353 1.00 53.13 H new ATOM 0 HG2 PRO A 66 -7.571 -10.500 -35.125 1.00 34.11 H new ATOM 0 HG3 PRO A 66 -7.766 -8.849 -35.681 1.00 34.11 H new ATOM 0 HD2 PRO A 66 -7.937 -9.495 -33.041 1.00 22.12 H new ATOM 0 HD3 PRO A 66 -8.868 -8.176 -33.724 1.00 22.12 H new ATOM 1050 N SER A 67 -9.445 -12.656 -33.839 1.00 61.21 N ATOM 1051 CA SER A 67 -9.217 -14.090 -33.701 1.00 32.43 C ATOM 1052 C SER A 67 -10.005 -14.654 -32.524 1.00 50.31 C ATOM 1053 O SER A 67 -9.620 -15.663 -31.931 1.00 31.42 O ATOM 1054 CB SER A 67 -7.725 -14.373 -33.515 1.00 12.33 C ATOM 1055 OG SER A 67 -7.309 -15.466 -34.316 1.00 13.13 O ATOM 0 H SER A 67 -8.920 -12.080 -33.181 1.00 61.21 H new ATOM 0 HA SER A 67 -9.562 -14.579 -34.612 1.00 32.43 H new ATOM 0 HB2 SER A 67 -7.148 -13.486 -33.777 1.00 12.33 H new ATOM 0 HB3 SER A 67 -7.521 -14.588 -32.466 1.00 12.33 H new ATOM 0 HG SER A 67 -6.352 -15.625 -34.180 1.00 13.13 H new ATOM 1061 N LEU A 68 -11.110 -13.998 -32.191 1.00 4.22 N ATOM 1062 CA LEU A 68 -11.956 -14.433 -31.085 1.00 15.25 C ATOM 1063 C LEU A 68 -12.866 -15.580 -31.512 1.00 20.43 C ATOM 1064 O LEU A 68 -13.241 -16.423 -30.699 1.00 51.44 O ATOM 1065 CB LEU A 68 -12.796 -13.264 -30.568 1.00 0.52 C ATOM 1066 CG LEU A 68 -12.220 -12.498 -29.376 1.00 42.51 C ATOM 1067 CD1 LEU A 68 -12.979 -11.198 -29.161 1.00 14.11 C ATOM 1068 CD2 LEU A 68 -12.262 -13.356 -28.120 1.00 51.21 C ATOM 0 H LEU A 68 -11.442 -13.162 -32.671 1.00 4.22 H new ATOM 0 HA LEU A 68 -11.308 -14.788 -30.284 1.00 15.25 H new ATOM 0 HB2 LEU A 68 -12.947 -12.561 -31.387 1.00 0.52 H new ATOM 0 HB3 LEU A 68 -13.779 -13.644 -30.289 1.00 0.52 H new ATOM 0 HG LEU A 68 -11.179 -12.256 -29.592 1.00 42.51 H new ATOM 0 HD11 LEU A 68 -12.556 -10.666 -28.309 1.00 14.11 H new ATOM 0 HD12 LEU A 68 -12.897 -10.577 -30.053 1.00 14.11 H new ATOM 0 HD13 LEU A 68 -14.029 -11.417 -28.966 1.00 14.11 H new ATOM 0 HD21 LEU A 68 -11.848 -12.795 -27.282 1.00 51.21 H new ATOM 0 HD22 LEU A 68 -13.294 -13.629 -27.900 1.00 51.21 H new ATOM 0 HD23 LEU A 68 -11.674 -14.260 -28.277 1.00 51.21 H new ATOM 1080 N GLN A 69 -13.216 -15.603 -32.794 1.00 34.41 N ATOM 1081 CA GLN A 69 -14.082 -16.647 -33.330 1.00 74.31 C ATOM 1082 C GLN A 69 -13.303 -17.939 -33.550 1.00 61.35 C ATOM 1083 O GLN A 69 -13.736 -19.016 -33.137 1.00 12.22 O ATOM 1084 CB GLN A 69 -14.713 -16.189 -34.646 1.00 25.54 C ATOM 1085 CG GLN A 69 -15.988 -16.935 -35.001 1.00 44.54 C ATOM 1086 CD GLN A 69 -17.139 -16.004 -35.332 1.00 54.24 C ATOM 1087 OE1 GLN A 69 -17.309 -15.594 -36.480 1.00 74.32 O ATOM 1088 NE2 GLN A 69 -17.935 -15.666 -34.325 1.00 63.44 N ATOM 0 H GLN A 69 -12.914 -14.912 -33.480 1.00 34.41 H new ATOM 0 HA GLN A 69 -14.872 -16.838 -32.603 1.00 74.31 H new ATOM 0 HB2 GLN A 69 -14.931 -15.123 -34.583 1.00 25.54 H new ATOM 0 HB3 GLN A 69 -13.990 -16.319 -35.451 1.00 25.54 H new ATOM 0 HG2 GLN A 69 -15.797 -17.587 -35.853 1.00 44.54 H new ATOM 0 HG3 GLN A 69 -16.273 -17.576 -34.167 1.00 44.54 H new ATOM 0 HE21 GLN A 69 -17.756 -16.030 -33.389 1.00 63.44 H new ATOM 0 HE22 GLN A 69 -18.726 -15.042 -34.487 1.00 63.44 H new ATOM 1097 N THR A 70 -12.151 -17.828 -34.205 1.00 23.32 N ATOM 1098 CA THR A 70 -11.313 -18.988 -34.481 1.00 60.40 C ATOM 1099 C THR A 70 -10.162 -19.083 -33.487 1.00 13.14 C ATOM 1100 O THR A 70 -9.087 -19.584 -33.813 1.00 71.14 O ATOM 1101 CB THR A 70 -10.740 -18.938 -35.910 1.00 14.51 C ATOM 1102 OG1 THR A 70 -10.211 -17.636 -36.181 1.00 21.41 O ATOM 1103 CG2 THR A 70 -11.810 -19.281 -36.935 1.00 43.01 C ATOM 0 H THR A 70 -11.777 -16.946 -34.554 1.00 23.32 H new ATOM 0 HA THR A 70 -11.948 -19.868 -34.382 1.00 60.40 H new ATOM 0 HB THR A 70 -9.941 -19.676 -35.983 1.00 14.51 H new ATOM 0 HG1 THR A 70 -9.847 -17.614 -37.091 1.00 21.41 H new ATOM 0 HG21 THR A 70 -11.381 -19.239 -37.936 1.00 43.01 H new ATOM 0 HG22 THR A 70 -12.188 -20.285 -36.744 1.00 43.01 H new ATOM 0 HG23 THR A 70 -12.628 -18.565 -36.860 1.00 43.01 H new ATOM 1111 N GLY A 71 -10.395 -18.600 -32.270 1.00 43.32 N ATOM 1112 CA GLY A 71 -9.368 -18.642 -31.246 1.00 3.13 C ATOM 1113 C GLY A 71 -9.594 -19.755 -30.242 1.00 70.25 C ATOM 1114 O GLY A 71 -10.601 -19.767 -29.535 1.00 53.30 O ATOM 0 H GLY A 71 -11.277 -18.180 -31.975 1.00 43.32 H new ATOM 0 HA2 GLY A 71 -8.394 -18.775 -31.718 1.00 3.13 H new ATOM 0 HA3 GLY A 71 -9.341 -17.686 -30.724 1.00 3.13 H new ATOM 1118 N SER A 72 -8.656 -20.695 -30.184 1.00 14.31 N ATOM 1119 CA SER A 72 -8.760 -21.822 -29.264 1.00 21.02 C ATOM 1120 C SER A 72 -8.887 -21.337 -27.823 1.00 0.41 C ATOM 1121 O SER A 72 -8.827 -20.138 -27.553 1.00 31.11 O ATOM 1122 CB SER A 72 -7.540 -22.735 -29.401 1.00 11.42 C ATOM 1123 OG SER A 72 -6.410 -22.010 -29.855 1.00 14.12 O ATOM 0 H SER A 72 -7.816 -20.699 -30.763 1.00 14.31 H new ATOM 0 HA SER A 72 -9.657 -22.386 -29.520 1.00 21.02 H new ATOM 0 HB2 SER A 72 -7.317 -23.197 -28.439 1.00 11.42 H new ATOM 0 HB3 SER A 72 -7.762 -23.543 -30.099 1.00 11.42 H new ATOM 0 HG SER A 72 -5.643 -22.615 -29.933 1.00 14.12 H new ATOM 1129 N GLU A 73 -9.063 -22.279 -26.901 1.00 41.13 N ATOM 1130 CA GLU A 73 -9.200 -21.948 -25.487 1.00 74.43 C ATOM 1131 C GLU A 73 -8.031 -21.086 -25.016 1.00 44.32 C ATOM 1132 O GLU A 73 -8.183 -20.255 -24.122 1.00 21.44 O ATOM 1133 CB GLU A 73 -9.279 -23.224 -24.647 1.00 33.22 C ATOM 1134 CG GLU A 73 -9.966 -23.028 -23.306 1.00 55.10 C ATOM 1135 CD GLU A 73 -11.459 -22.800 -23.443 1.00 10.10 C ATOM 1136 OE1 GLU A 73 -11.964 -22.843 -24.584 1.00 30.01 O ATOM 1137 OE2 GLU A 73 -12.122 -22.578 -22.408 1.00 73.51 O ATOM 0 H GLU A 73 -9.114 -23.277 -27.108 1.00 41.13 H new ATOM 0 HA GLU A 73 -10.122 -21.381 -25.359 1.00 74.43 H new ATOM 0 HB2 GLU A 73 -9.814 -23.988 -25.211 1.00 33.22 H new ATOM 0 HB3 GLU A 73 -8.270 -23.600 -24.477 1.00 33.22 H new ATOM 0 HG2 GLU A 73 -9.792 -23.904 -22.681 1.00 55.10 H new ATOM 0 HG3 GLU A 73 -9.518 -22.177 -22.793 1.00 55.10 H new ATOM 1144 N GLU A 74 -6.867 -21.294 -25.623 1.00 3.33 N ATOM 1145 CA GLU A 74 -5.674 -20.538 -25.264 1.00 51.42 C ATOM 1146 C GLU A 74 -5.846 -19.059 -25.596 1.00 74.33 C ATOM 1147 O GLU A 74 -5.339 -18.188 -24.887 1.00 21.31 O ATOM 1148 CB GLU A 74 -4.451 -21.097 -25.993 1.00 15.11 C ATOM 1149 CG GLU A 74 -4.092 -22.515 -25.582 1.00 12.31 C ATOM 1150 CD GLU A 74 -2.744 -22.956 -26.119 1.00 62.21 C ATOM 1151 OE1 GLU A 74 -2.263 -22.338 -27.093 1.00 24.35 O ATOM 1152 OE2 GLU A 74 -2.170 -23.918 -25.568 1.00 11.03 O ATOM 0 H GLU A 74 -6.725 -21.979 -26.365 1.00 3.33 H new ATOM 0 HA GLU A 74 -5.523 -20.635 -24.189 1.00 51.42 H new ATOM 0 HB2 GLU A 74 -4.637 -21.075 -27.067 1.00 15.11 H new ATOM 0 HB3 GLU A 74 -3.597 -20.446 -25.804 1.00 15.11 H new ATOM 0 HG2 GLU A 74 -4.085 -22.583 -24.494 1.00 12.31 H new ATOM 0 HG3 GLU A 74 -4.862 -23.199 -25.939 1.00 12.31 H new ATOM 1159 N LEU A 75 -6.564 -18.782 -26.679 1.00 61.22 N ATOM 1160 CA LEU A 75 -6.804 -17.408 -27.108 1.00 53.23 C ATOM 1161 C LEU A 75 -7.825 -16.726 -26.204 1.00 1.54 C ATOM 1162 O LEU A 75 -7.606 -15.608 -25.736 1.00 40.33 O ATOM 1163 CB LEU A 75 -7.290 -17.384 -28.557 1.00 24.42 C ATOM 1164 CG LEU A 75 -6.807 -16.208 -29.408 1.00 71.20 C ATOM 1165 CD1 LEU A 75 -6.320 -16.695 -30.763 1.00 60.23 C ATOM 1166 CD2 LEU A 75 -7.917 -15.179 -29.576 1.00 15.22 C ATOM 0 H LEU A 75 -6.990 -19.491 -27.276 1.00 61.22 H new ATOM 0 HA LEU A 75 -5.864 -16.861 -27.038 1.00 53.23 H new ATOM 0 HB2 LEU A 75 -6.976 -18.309 -29.040 1.00 24.42 H new ATOM 0 HB3 LEU A 75 -8.380 -17.381 -28.554 1.00 24.42 H new ATOM 0 HG LEU A 75 -5.972 -15.731 -28.894 1.00 71.20 H new ATOM 0 HD11 LEU A 75 -5.980 -15.845 -31.355 1.00 60.23 H new ATOM 0 HD12 LEU A 75 -5.495 -17.393 -30.624 1.00 60.23 H new ATOM 0 HD13 LEU A 75 -7.135 -17.197 -31.284 1.00 60.23 H new ATOM 0 HD21 LEU A 75 -7.555 -14.350 -30.184 1.00 15.22 H new ATOM 0 HD22 LEU A 75 -8.772 -15.643 -30.067 1.00 15.22 H new ATOM 0 HD23 LEU A 75 -8.219 -14.807 -28.597 1.00 15.22 H new ATOM 1178 N ARG A 76 -8.940 -17.407 -25.961 1.00 1.42 N ATOM 1179 CA ARG A 76 -9.995 -16.868 -25.112 1.00 24.34 C ATOM 1180 C ARG A 76 -9.438 -16.438 -23.758 1.00 34.25 C ATOM 1181 O ARG A 76 -9.678 -15.320 -23.303 1.00 31.43 O ATOM 1182 CB ARG A 76 -11.100 -17.907 -24.913 1.00 4.05 C ATOM 1183 CG ARG A 76 -12.424 -17.517 -25.552 1.00 2.41 C ATOM 1184 CD ARG A 76 -13.380 -16.917 -24.532 1.00 41.55 C ATOM 1185 NE ARG A 76 -13.761 -17.884 -23.506 1.00 43.25 N ATOM 1186 CZ ARG A 76 -14.649 -17.630 -22.551 1.00 42.51 C ATOM 1187 NH1 ARG A 76 -15.244 -16.447 -22.492 1.00 2.04 N ATOM 1188 NH2 ARG A 76 -14.945 -18.561 -21.653 1.00 14.22 N ATOM 0 H ARG A 76 -9.136 -18.333 -26.340 1.00 1.42 H new ATOM 0 HA ARG A 76 -10.413 -15.992 -25.608 1.00 24.34 H new ATOM 0 HB2 ARG A 76 -10.771 -18.859 -25.330 1.00 4.05 H new ATOM 0 HB3 ARG A 76 -11.253 -18.062 -23.845 1.00 4.05 H new ATOM 0 HG2 ARG A 76 -12.245 -16.798 -26.352 1.00 2.41 H new ATOM 0 HG3 ARG A 76 -12.881 -18.395 -26.009 1.00 2.41 H new ATOM 0 HD2 ARG A 76 -12.912 -16.053 -24.060 1.00 41.55 H new ATOM 0 HD3 ARG A 76 -14.274 -16.557 -25.041 1.00 41.55 H new ATOM 0 HE ARG A 76 -13.321 -18.804 -23.524 1.00 43.25 H new ATOM 0 HH11 ARG A 76 -15.021 -15.729 -23.181 1.00 2.04 H new ATOM 0 HH12 ARG A 76 -15.925 -16.255 -21.758 1.00 2.04 H new ATOM 0 HH21 ARG A 76 -14.491 -19.473 -21.695 1.00 14.22 H new ATOM 0 HH22 ARG A 76 -15.627 -18.364 -20.920 1.00 14.22 H new ATOM 1202 N SER A 77 -8.693 -17.334 -23.119 1.00 35.02 N ATOM 1203 CA SER A 77 -8.104 -17.049 -21.816 1.00 11.22 C ATOM 1204 C SER A 77 -7.272 -15.771 -21.863 1.00 32.22 C ATOM 1205 O SER A 77 -7.340 -14.937 -20.958 1.00 44.42 O ATOM 1206 CB SER A 77 -7.234 -18.221 -21.358 1.00 34.43 C ATOM 1207 OG SER A 77 -8.029 -19.277 -20.848 1.00 52.43 O ATOM 0 H SER A 77 -8.483 -18.264 -23.482 1.00 35.02 H new ATOM 0 HA SER A 77 -8.915 -16.907 -21.102 1.00 11.22 H new ATOM 0 HB2 SER A 77 -6.636 -18.583 -22.194 1.00 34.43 H new ATOM 0 HB3 SER A 77 -6.537 -17.883 -20.591 1.00 34.43 H new ATOM 0 HG SER A 77 -7.450 -20.015 -20.564 1.00 52.43 H new ATOM 1213 N LEU A 78 -6.486 -15.623 -22.924 1.00 41.41 N ATOM 1214 CA LEU A 78 -5.640 -14.447 -23.091 1.00 54.34 C ATOM 1215 C LEU A 78 -6.475 -13.171 -23.097 1.00 11.23 C ATOM 1216 O LEU A 78 -6.257 -12.271 -22.286 1.00 31.23 O ATOM 1217 CB LEU A 78 -4.839 -14.552 -24.390 1.00 34.42 C ATOM 1218 CG LEU A 78 -3.365 -14.933 -24.241 1.00 61.33 C ATOM 1219 CD1 LEU A 78 -2.642 -13.935 -23.350 1.00 71.11 C ATOM 1220 CD2 LEU A 78 -3.233 -16.342 -23.683 1.00 13.25 C ATOM 0 H LEU A 78 -6.417 -16.303 -23.681 1.00 41.41 H new ATOM 0 HA LEU A 78 -4.950 -14.403 -22.248 1.00 54.34 H new ATOM 0 HB2 LEU A 78 -5.321 -15.289 -25.032 1.00 34.42 H new ATOM 0 HB3 LEU A 78 -4.896 -13.594 -24.907 1.00 34.42 H new ATOM 0 HG LEU A 78 -2.902 -14.909 -25.228 1.00 61.33 H new ATOM 0 HD11 LEU A 78 -1.595 -14.223 -23.256 1.00 71.11 H new ATOM 0 HD12 LEU A 78 -2.707 -12.940 -23.791 1.00 71.11 H new ATOM 0 HD13 LEU A 78 -3.106 -13.925 -22.364 1.00 71.11 H new ATOM 0 HD21 LEU A 78 -2.178 -16.597 -23.584 1.00 13.25 H new ATOM 0 HD22 LEU A 78 -3.712 -16.393 -22.705 1.00 13.25 H new ATOM 0 HD23 LEU A 78 -3.714 -17.048 -24.360 1.00 13.25 H new ATOM 1232 N TYR A 79 -7.433 -13.102 -24.014 1.00 4.30 N ATOM 1233 CA TYR A 79 -8.301 -11.936 -24.125 1.00 43.40 C ATOM 1234 C TYR A 79 -8.929 -11.593 -22.777 1.00 11.30 C ATOM 1235 O TYR A 79 -9.217 -10.432 -22.492 1.00 23.42 O ATOM 1236 CB TYR A 79 -9.399 -12.188 -25.161 1.00 14.24 C ATOM 1237 CG TYR A 79 -9.963 -10.922 -25.766 1.00 71.23 C ATOM 1238 CD1 TYR A 79 -9.168 -10.085 -26.538 1.00 33.23 C ATOM 1239 CD2 TYR A 79 -11.289 -10.564 -25.565 1.00 5.24 C ATOM 1240 CE1 TYR A 79 -9.678 -8.926 -27.092 1.00 53.15 C ATOM 1241 CE2 TYR A 79 -11.809 -9.409 -26.117 1.00 51.20 C ATOM 1242 CZ TYR A 79 -10.999 -8.593 -26.879 1.00 43.41 C ATOM 1243 OH TYR A 79 -11.512 -7.441 -27.429 1.00 23.11 O ATOM 0 H TYR A 79 -7.628 -13.839 -24.691 1.00 4.30 H new ATOM 0 HA TYR A 79 -7.692 -11.092 -24.448 1.00 43.40 H new ATOM 0 HB2 TYR A 79 -8.998 -12.814 -25.958 1.00 14.24 H new ATOM 0 HB3 TYR A 79 -10.208 -12.748 -24.692 1.00 14.24 H new ATOM 0 HD1 TYR A 79 -8.133 -10.344 -26.708 1.00 33.23 H new ATOM 0 HD2 TYR A 79 -11.925 -11.199 -24.967 1.00 5.24 H new ATOM 0 HE1 TYR A 79 -9.046 -8.285 -27.688 1.00 53.15 H new ATOM 0 HE2 TYR A 79 -12.844 -9.147 -25.953 1.00 51.20 H new ATOM 0 HH TYR A 79 -11.928 -7.648 -28.292 1.00 23.11 H new ATOM 1253 N ASN A 80 -9.136 -12.614 -21.952 1.00 51.41 N ATOM 1254 CA ASN A 80 -9.728 -12.422 -20.633 1.00 72.10 C ATOM 1255 C ASN A 80 -8.771 -11.674 -19.710 1.00 24.33 C ATOM 1256 O ASN A 80 -9.115 -10.630 -19.154 1.00 53.20 O ATOM 1257 CB ASN A 80 -10.098 -13.773 -20.016 1.00 11.34 C ATOM 1258 CG ASN A 80 -11.598 -13.963 -19.897 1.00 40.33 C ATOM 1259 OD1 ASN A 80 -12.353 -13.614 -20.805 1.00 73.34 O ATOM 1260 ND2 ASN A 80 -12.036 -14.519 -18.774 1.00 62.40 N ATOM 0 H ASN A 80 -8.903 -13.582 -22.173 1.00 51.41 H new ATOM 0 HA ASN A 80 -10.632 -11.824 -20.751 1.00 72.10 H new ATOM 0 HB2 ASN A 80 -9.680 -14.574 -20.626 1.00 11.34 H new ATOM 0 HB3 ASN A 80 -9.645 -13.855 -19.028 1.00 11.34 H new ATOM 0 HD21 ASN A 80 -13.035 -14.673 -18.637 1.00 62.40 H new ATOM 0 HD22 ASN A 80 -11.374 -14.793 -18.048 1.00 62.40 H new ATOM 1267 N THR A 81 -7.567 -12.215 -19.551 1.00 25.34 N ATOM 1268 CA THR A 81 -6.560 -11.599 -18.696 1.00 53.01 C ATOM 1269 C THR A 81 -6.134 -10.239 -19.238 1.00 63.52 C ATOM 1270 O THR A 81 -6.188 -9.234 -18.529 1.00 34.32 O ATOM 1271 CB THR A 81 -5.316 -12.496 -18.558 1.00 55.11 C ATOM 1272 OG1 THR A 81 -5.701 -13.803 -18.117 1.00 53.34 O ATOM 1273 CG2 THR A 81 -4.322 -11.896 -17.574 1.00 62.14 C ATOM 0 H THR A 81 -7.266 -13.078 -20.003 1.00 25.34 H new ATOM 0 HA THR A 81 -7.016 -11.469 -17.715 1.00 53.01 H new ATOM 0 HB THR A 81 -4.838 -12.568 -19.535 1.00 55.11 H new ATOM 0 HG1 THR A 81 -4.905 -14.368 -18.033 1.00 53.34 H new ATOM 0 HG21 THR A 81 -3.452 -12.547 -17.493 1.00 62.14 H new ATOM 0 HG22 THR A 81 -4.008 -10.914 -17.927 1.00 62.14 H new ATOM 0 HG23 THR A 81 -4.793 -11.797 -16.596 1.00 62.14 H new ATOM 1281 N ILE A 82 -5.713 -10.215 -20.498 1.00 43.23 N ATOM 1282 CA ILE A 82 -5.280 -8.978 -21.135 1.00 73.34 C ATOM 1283 C ILE A 82 -6.338 -7.888 -20.995 1.00 14.21 C ATOM 1284 O ILE A 82 -6.017 -6.701 -20.956 1.00 25.34 O ATOM 1285 CB ILE A 82 -4.974 -9.192 -22.630 1.00 1.05 C ATOM 1286 CG1 ILE A 82 -3.893 -10.260 -22.804 1.00 33.44 C ATOM 1287 CG2 ILE A 82 -4.542 -7.882 -23.273 1.00 41.13 C ATOM 1288 CD1 ILE A 82 -3.815 -10.817 -24.208 1.00 13.30 C ATOM 0 H ILE A 82 -5.663 -11.038 -21.098 1.00 43.23 H new ATOM 0 HA ILE A 82 -4.368 -8.664 -20.627 1.00 73.34 H new ATOM 0 HB ILE A 82 -5.881 -9.537 -23.127 1.00 1.05 H new ATOM 0 HG12 ILE A 82 -2.926 -9.834 -22.537 1.00 33.44 H new ATOM 0 HG13 ILE A 82 -4.085 -11.077 -22.108 1.00 33.44 H new ATOM 0 HG21 ILE A 82 -4.329 -8.048 -24.329 1.00 41.13 H new ATOM 0 HG22 ILE A 82 -5.341 -7.148 -23.175 1.00 41.13 H new ATOM 0 HG23 ILE A 82 -3.646 -7.511 -22.776 1.00 41.13 H new ATOM 0 HD11 ILE A 82 -3.027 -11.569 -24.258 1.00 13.30 H new ATOM 0 HD12 ILE A 82 -4.769 -11.273 -24.472 1.00 13.30 H new ATOM 0 HD13 ILE A 82 -3.592 -10.011 -24.907 1.00 13.30 H new ATOM 1300 N ALA A 83 -7.598 -8.302 -20.916 1.00 61.52 N ATOM 1301 CA ALA A 83 -8.703 -7.361 -20.776 1.00 22.33 C ATOM 1302 C ALA A 83 -8.696 -6.708 -19.397 1.00 74.54 C ATOM 1303 O ALA A 83 -8.543 -5.492 -19.276 1.00 64.11 O ATOM 1304 CB ALA A 83 -10.029 -8.064 -21.022 1.00 21.12 C ATOM 0 H ALA A 83 -7.879 -9.282 -20.946 1.00 61.52 H new ATOM 0 HA ALA A 83 -8.577 -6.576 -21.522 1.00 22.33 H new ATOM 0 HB1 ALA A 83 -10.845 -7.350 -20.914 1.00 21.12 H new ATOM 0 HB2 ALA A 83 -10.040 -8.478 -22.030 1.00 21.12 H new ATOM 0 HB3 ALA A 83 -10.154 -8.869 -20.298 1.00 21.12 H new ATOM 1310 N VAL A 84 -8.863 -7.522 -18.361 1.00 53.44 N ATOM 1311 CA VAL A 84 -8.875 -7.024 -16.991 1.00 42.42 C ATOM 1312 C VAL A 84 -7.633 -6.190 -16.698 1.00 5.31 C ATOM 1313 O VAL A 84 -7.700 -5.182 -15.992 1.00 45.34 O ATOM 1314 CB VAL A 84 -8.957 -8.179 -15.974 1.00 23.30 C ATOM 1315 CG1 VAL A 84 -8.948 -7.639 -14.552 1.00 72.05 C ATOM 1316 CG2 VAL A 84 -10.197 -9.022 -16.225 1.00 62.13 C ATOM 0 H VAL A 84 -8.992 -8.530 -18.444 1.00 53.44 H new ATOM 0 HA VAL A 84 -9.761 -6.398 -16.890 1.00 42.42 H new ATOM 0 HB VAL A 84 -8.081 -8.816 -16.101 1.00 23.30 H new ATOM 0 HG11 VAL A 84 -9.007 -8.469 -13.847 1.00 72.05 H new ATOM 0 HG12 VAL A 84 -8.027 -7.081 -14.380 1.00 72.05 H new ATOM 0 HG13 VAL A 84 -9.804 -6.979 -14.408 1.00 72.05 H new ATOM 0 HG21 VAL A 84 -10.239 -9.833 -15.498 1.00 62.13 H new ATOM 0 HG22 VAL A 84 -11.086 -8.400 -16.126 1.00 62.13 H new ATOM 0 HG23 VAL A 84 -10.156 -9.439 -17.231 1.00 62.13 H new ATOM 1326 N LEU A 85 -6.499 -6.616 -17.244 1.00 25.50 N ATOM 1327 CA LEU A 85 -5.240 -5.908 -17.043 1.00 21.30 C ATOM 1328 C LEU A 85 -5.250 -4.563 -17.764 1.00 52.52 C ATOM 1329 O LEU A 85 -4.973 -3.525 -17.164 1.00 73.22 O ATOM 1330 CB LEU A 85 -4.069 -6.758 -17.540 1.00 2.24 C ATOM 1331 CG LEU A 85 -2.748 -6.584 -16.790 1.00 63.54 C ATOM 1332 CD1 LEU A 85 -2.443 -7.816 -15.953 1.00 73.12 C ATOM 1333 CD2 LEU A 85 -1.614 -6.306 -17.767 1.00 75.15 C ATOM 0 H LEU A 85 -6.426 -7.448 -17.829 1.00 25.50 H new ATOM 0 HA LEU A 85 -5.121 -5.726 -15.975 1.00 21.30 H new ATOM 0 HB2 LEU A 85 -4.359 -7.807 -17.486 1.00 2.24 H new ATOM 0 HB3 LEU A 85 -3.900 -6.528 -18.592 1.00 2.24 H new ATOM 0 HG LEU A 85 -2.842 -5.730 -16.120 1.00 63.54 H new ATOM 0 HD11 LEU A 85 -1.499 -7.674 -15.427 1.00 73.12 H new ATOM 0 HD12 LEU A 85 -3.243 -7.971 -15.229 1.00 73.12 H new ATOM 0 HD13 LEU A 85 -2.368 -8.688 -16.603 1.00 73.12 H new ATOM 0 HD21 LEU A 85 -0.681 -6.185 -17.217 1.00 75.15 H new ATOM 0 HD22 LEU A 85 -1.520 -7.141 -18.462 1.00 75.15 H new ATOM 0 HD23 LEU A 85 -1.828 -5.393 -18.323 1.00 75.15 H new ATOM 1345 N TYR A 86 -5.571 -4.592 -19.052 1.00 12.22 N ATOM 1346 CA TYR A 86 -5.616 -3.375 -19.855 1.00 45.34 C ATOM 1347 C TYR A 86 -6.488 -2.315 -19.189 1.00 14.23 C ATOM 1348 O TYR A 86 -6.084 -1.160 -19.052 1.00 22.53 O ATOM 1349 CB TYR A 86 -6.150 -3.682 -21.255 1.00 54.24 C ATOM 1350 CG TYR A 86 -6.415 -2.448 -22.087 1.00 41.31 C ATOM 1351 CD1 TYR A 86 -5.391 -1.828 -22.792 1.00 74.11 C ATOM 1352 CD2 TYR A 86 -7.690 -1.903 -22.168 1.00 31.20 C ATOM 1353 CE1 TYR A 86 -5.628 -0.700 -23.553 1.00 5.30 C ATOM 1354 CE2 TYR A 86 -7.937 -0.775 -22.926 1.00 61.34 C ATOM 1355 CZ TYR A 86 -6.904 -0.178 -23.617 1.00 33.32 C ATOM 1356 OH TYR A 86 -7.145 0.946 -24.375 1.00 3.24 O ATOM 0 H TYR A 86 -5.804 -5.444 -19.563 1.00 12.22 H new ATOM 0 HA TYR A 86 -4.601 -2.987 -19.937 1.00 45.34 H new ATOM 0 HB2 TYR A 86 -5.433 -4.315 -21.777 1.00 54.24 H new ATOM 0 HB3 TYR A 86 -7.073 -4.254 -21.165 1.00 54.24 H new ATOM 0 HD1 TYR A 86 -4.392 -2.235 -22.744 1.00 74.11 H new ATOM 0 HD2 TYR A 86 -8.502 -2.369 -21.629 1.00 31.20 H new ATOM 0 HE1 TYR A 86 -4.820 -0.230 -24.094 1.00 5.30 H new ATOM 0 HE2 TYR A 86 -8.934 -0.363 -22.977 1.00 61.34 H new ATOM 0 HH TYR A 86 -8.094 1.184 -24.315 1.00 3.24 H new ATOM 1366 N CYS A 87 -7.684 -2.717 -18.775 1.00 21.43 N ATOM 1367 CA CYS A 87 -8.615 -1.802 -18.122 1.00 55.33 C ATOM 1368 C CYS A 87 -7.943 -1.083 -16.957 1.00 53.15 C ATOM 1369 O CYS A 87 -8.192 0.098 -16.716 1.00 62.31 O ATOM 1370 CB CYS A 87 -9.846 -2.562 -17.627 1.00 22.12 C ATOM 1371 SG CYS A 87 -11.149 -2.746 -18.867 1.00 41.50 S ATOM 0 H CYS A 87 -8.033 -3.670 -18.879 1.00 21.43 H new ATOM 0 HA CYS A 87 -8.927 -1.057 -18.853 1.00 55.33 H new ATOM 0 HB2 CYS A 87 -9.537 -3.552 -17.290 1.00 22.12 H new ATOM 0 HB3 CYS A 87 -10.255 -2.044 -16.760 1.00 22.12 H new ATOM 0 HG CYS A 87 -12.277 -3.006 -18.276 1.00 41.50 H new ATOM 1377 N VAL A 88 -7.090 -1.804 -16.236 1.00 12.30 N ATOM 1378 CA VAL A 88 -6.383 -1.235 -15.095 1.00 12.40 C ATOM 1379 C VAL A 88 -5.493 -0.073 -15.524 1.00 12.23 C ATOM 1380 O VAL A 88 -5.410 0.946 -14.837 1.00 61.24 O ATOM 1381 CB VAL A 88 -5.518 -2.294 -14.385 1.00 61.44 C ATOM 1382 CG1 VAL A 88 -4.868 -1.708 -13.142 1.00 22.24 C ATOM 1383 CG2 VAL A 88 -6.354 -3.516 -14.035 1.00 30.34 C ATOM 0 H VAL A 88 -6.872 -2.783 -16.422 1.00 12.30 H new ATOM 0 HA VAL A 88 -7.142 -0.872 -14.402 1.00 12.40 H new ATOM 0 HB VAL A 88 -4.726 -2.607 -15.065 1.00 61.44 H new ATOM 0 HG11 VAL A 88 -4.261 -2.471 -12.654 1.00 22.24 H new ATOM 0 HG12 VAL A 88 -4.235 -0.867 -13.425 1.00 22.24 H new ATOM 0 HG13 VAL A 88 -5.641 -1.365 -12.454 1.00 22.24 H new ATOM 0 HG21 VAL A 88 -5.728 -4.254 -13.534 1.00 30.34 H new ATOM 0 HG22 VAL A 88 -7.169 -3.222 -13.373 1.00 30.34 H new ATOM 0 HG23 VAL A 88 -6.766 -3.948 -14.947 1.00 30.34 H new ATOM 1393 N HIS A 89 -4.828 -0.233 -16.664 1.00 42.32 N ATOM 1394 CA HIS A 89 -3.944 0.804 -17.187 1.00 43.14 C ATOM 1395 C HIS A 89 -4.751 1.941 -17.808 1.00 53.13 C ATOM 1396 O HIS A 89 -4.175 3.016 -17.973 1.00 42.23 O ATOM 1397 CB HIS A 89 -2.990 0.214 -18.226 1.00 11.40 C ATOM 1398 CG HIS A 89 -2.120 -0.880 -17.686 1.00 11.41 C ATOM 1399 ND1 HIS A 89 -1.775 -0.980 -16.354 1.00 42.04 N ATOM 1400 CD2 HIS A 89 -1.525 -1.926 -18.306 1.00 23.32 C ATOM 1401 CE1 HIS A 89 -1.006 -2.040 -16.180 1.00 12.21 C ATOM 1402 NE2 HIS A 89 -0.839 -2.632 -17.349 1.00 22.55 N ATOM 0 H HIS A 89 -4.884 -1.071 -17.243 1.00 42.32 H new ATOM 0 HA HIS A 89 -3.362 1.205 -16.357 1.00 43.14 H new ATOM 0 HB2 HIS A 89 -3.571 -0.174 -19.062 1.00 11.40 H new ATOM 0 HB3 HIS A 89 -2.357 1.009 -18.620 1.00 11.40 H new ATOM 0 HD1 HIS A 89 -2.068 -0.336 -15.619 1.00 42.04 H new ATOM 0 HD2 HIS A 89 -1.580 -2.162 -19.359 1.00 23.32 H new ATOM 0 HE1 HIS A 89 -0.585 -2.367 -15.241 1.00 12.21 H new ATOM 1411 N GLN A 90 -6.021 1.739 -18.144 1.00 2.33 N ATOM 1412 CA GLN A 90 -6.829 2.796 -18.741 1.00 64.31 C ATOM 1413 C GLN A 90 -7.690 3.484 -17.687 1.00 51.00 C ATOM 1414 O GLN A 90 -8.746 4.035 -17.997 1.00 44.21 O ATOM 1415 CB GLN A 90 -7.717 2.224 -19.848 1.00 0.13 C ATOM 1416 CG GLN A 90 -7.007 2.083 -21.185 1.00 14.22 C ATOM 1417 CD GLN A 90 -6.508 3.409 -21.723 1.00 20.44 C ATOM 1418 OE1 GLN A 90 -7.291 4.235 -22.196 1.00 55.41 O ATOM 1419 NE2 GLN A 90 -5.199 3.622 -21.654 1.00 62.52 N ATOM 0 H GLN A 90 -6.512 0.855 -18.013 1.00 2.33 H new ATOM 0 HA GLN A 90 -6.154 3.536 -19.172 1.00 64.31 H new ATOM 0 HB2 GLN A 90 -8.087 1.247 -19.537 1.00 0.13 H new ATOM 0 HB3 GLN A 90 -8.587 2.869 -19.974 1.00 0.13 H new ATOM 0 HG2 GLN A 90 -6.165 1.400 -21.075 1.00 14.22 H new ATOM 0 HG3 GLN A 90 -7.688 1.635 -21.908 1.00 14.22 H new ATOM 0 HE21 GLN A 90 -4.587 2.911 -21.254 1.00 62.52 H new ATOM 0 HE22 GLN A 90 -4.806 4.497 -22.000 1.00 62.52 H new ATOM 1428 N ARG A 91 -7.232 3.448 -16.440 1.00 13.11 N ATOM 1429 CA ARG A 91 -7.961 4.067 -15.339 1.00 61.44 C ATOM 1430 C ARG A 91 -9.380 3.512 -15.248 1.00 23.20 C ATOM 1431 O ARG A 91 -10.292 4.189 -14.770 1.00 34.23 O ATOM 1432 CB ARG A 91 -8.007 5.585 -15.519 1.00 75.40 C ATOM 1433 CG ARG A 91 -6.641 6.248 -15.448 1.00 11.24 C ATOM 1434 CD ARG A 91 -6.693 7.686 -15.937 1.00 34.33 C ATOM 1435 NE ARG A 91 -5.378 8.322 -15.909 1.00 23.33 N ATOM 1436 CZ ARG A 91 -5.157 9.572 -16.302 1.00 44.04 C ATOM 1437 NH1 ARG A 91 -6.159 10.316 -16.750 1.00 61.44 N ATOM 1438 NH2 ARG A 91 -3.933 10.080 -16.246 1.00 52.02 N ATOM 0 H ARG A 91 -6.359 2.997 -16.167 1.00 13.11 H new ATOM 0 HA ARG A 91 -7.437 3.834 -14.412 1.00 61.44 H new ATOM 0 HB2 ARG A 91 -8.463 5.815 -16.482 1.00 75.40 H new ATOM 0 HB3 ARG A 91 -8.650 6.014 -14.751 1.00 75.40 H new ATOM 0 HG2 ARG A 91 -6.277 6.225 -14.421 1.00 11.24 H new ATOM 0 HG3 ARG A 91 -5.930 5.683 -16.051 1.00 11.24 H new ATOM 0 HD2 ARG A 91 -7.085 7.709 -16.954 1.00 34.33 H new ATOM 0 HD3 ARG A 91 -7.384 8.255 -15.316 1.00 34.33 H new ATOM 0 HE ARG A 91 -4.586 7.777 -15.569 1.00 23.33 H new ATOM 0 HH11 ARG A 91 -7.102 9.929 -16.793 1.00 61.44 H new ATOM 0 HH12 ARG A 91 -5.987 11.275 -17.051 1.00 61.44 H new ATOM 0 HH21 ARG A 91 -3.160 9.511 -15.901 1.00 52.02 H new ATOM 0 HH22 ARG A 91 -3.765 11.040 -16.548 1.00 52.02 H new ATOM 1452 N ILE A 92 -9.558 2.279 -15.708 1.00 72.30 N ATOM 1453 CA ILE A 92 -10.865 1.635 -15.677 1.00 53.52 C ATOM 1454 C ILE A 92 -10.994 0.710 -14.471 1.00 73.02 C ATOM 1455 O ILE A 92 -10.041 0.027 -14.094 1.00 62.31 O ATOM 1456 CB ILE A 92 -11.123 0.823 -16.961 1.00 23.25 C ATOM 1457 CG1 ILE A 92 -10.806 1.668 -18.197 1.00 4.14 C ATOM 1458 CG2 ILE A 92 -12.564 0.338 -17.000 1.00 5.41 C ATOM 1459 CD1 ILE A 92 -11.020 0.933 -19.501 1.00 75.41 C ATOM 0 H ILE A 92 -8.814 1.706 -16.106 1.00 72.30 H new ATOM 0 HA ILE A 92 -11.607 2.430 -15.604 1.00 53.52 H new ATOM 0 HB ILE A 92 -10.467 -0.047 -16.961 1.00 23.25 H new ATOM 0 HG12 ILE A 92 -11.430 2.562 -18.186 1.00 4.14 H new ATOM 0 HG13 ILE A 92 -9.770 2.002 -18.143 1.00 4.14 H new ATOM 0 HG21 ILE A 92 -12.731 -0.234 -17.913 1.00 5.41 H new ATOM 0 HG22 ILE A 92 -12.758 -0.295 -16.134 1.00 5.41 H new ATOM 0 HG23 ILE A 92 -13.237 1.195 -16.981 1.00 5.41 H new ATOM 0 HD11 ILE A 92 -10.776 1.592 -20.334 1.00 75.41 H new ATOM 0 HD12 ILE A 92 -10.376 0.054 -19.533 1.00 75.41 H new ATOM 0 HD13 ILE A 92 -12.062 0.622 -19.577 1.00 75.41 H new ATOM 1471 N ASP A 93 -12.179 0.692 -13.870 1.00 31.31 N ATOM 1472 CA ASP A 93 -12.433 -0.151 -12.707 1.00 23.32 C ATOM 1473 C ASP A 93 -13.584 -1.115 -12.978 1.00 43.32 C ATOM 1474 O ASP A 93 -14.734 -0.701 -13.123 1.00 24.34 O ATOM 1475 CB ASP A 93 -12.751 0.713 -11.486 1.00 41.51 C ATOM 1476 CG ASP A 93 -11.700 0.588 -10.399 1.00 64.04 C ATOM 1477 OD1 ASP A 93 -11.641 -0.478 -9.752 1.00 0.52 O ATOM 1478 OD2 ASP A 93 -10.938 1.556 -10.198 1.00 11.53 O ATOM 0 H ASP A 93 -12.978 1.251 -14.169 1.00 31.31 H new ATOM 0 HA ASP A 93 -11.534 -0.734 -12.506 1.00 23.32 H new ATOM 0 HB2 ASP A 93 -12.830 1.756 -11.793 1.00 41.51 H new ATOM 0 HB3 ASP A 93 -13.722 0.425 -11.083 1.00 41.51 H new ATOM 1483 N VAL A 94 -13.266 -2.404 -13.045 1.00 33.12 N ATOM 1484 CA VAL A 94 -14.273 -3.428 -13.298 1.00 4.44 C ATOM 1485 C VAL A 94 -14.295 -4.465 -12.179 1.00 71.40 C ATOM 1486 O VAL A 94 -13.309 -4.645 -11.465 1.00 33.54 O ATOM 1487 CB VAL A 94 -14.024 -4.141 -14.639 1.00 74.31 C ATOM 1488 CG1 VAL A 94 -14.178 -3.168 -15.798 1.00 61.31 C ATOM 1489 CG2 VAL A 94 -12.645 -4.784 -14.653 1.00 4.21 C ATOM 0 H VAL A 94 -12.319 -2.764 -12.928 1.00 33.12 H new ATOM 0 HA VAL A 94 -15.237 -2.921 -13.339 1.00 4.44 H new ATOM 0 HB VAL A 94 -14.769 -4.929 -14.755 1.00 74.31 H new ATOM 0 HG11 VAL A 94 -13.998 -3.690 -16.738 1.00 61.31 H new ATOM 0 HG12 VAL A 94 -15.188 -2.759 -15.798 1.00 61.31 H new ATOM 0 HG13 VAL A 94 -13.458 -2.357 -15.690 1.00 61.31 H new ATOM 0 HG21 VAL A 94 -12.486 -5.284 -15.609 1.00 4.21 H new ATOM 0 HG22 VAL A 94 -11.884 -4.016 -14.514 1.00 4.21 H new ATOM 0 HG23 VAL A 94 -12.576 -5.514 -13.846 1.00 4.21 H new ATOM 1499 N LYS A 95 -15.427 -5.145 -12.034 1.00 52.22 N ATOM 1500 CA LYS A 95 -15.579 -6.166 -11.004 1.00 44.12 C ATOM 1501 C LYS A 95 -15.170 -7.537 -11.533 1.00 73.01 C ATOM 1502 O LYS A 95 -14.572 -8.338 -10.814 1.00 10.15 O ATOM 1503 CB LYS A 95 -17.027 -6.210 -10.511 1.00 12.33 C ATOM 1504 CG LYS A 95 -17.159 -6.084 -9.003 1.00 31.03 C ATOM 1505 CD LYS A 95 -18.118 -7.118 -8.438 1.00 50.32 C ATOM 1506 CE LYS A 95 -18.554 -6.762 -7.025 1.00 70.25 C ATOM 1507 NZ LYS A 95 -17.508 -7.101 -6.021 1.00 10.53 N ATOM 0 H LYS A 95 -16.253 -5.008 -12.617 1.00 52.22 H new ATOM 0 HA LYS A 95 -14.925 -5.907 -10.171 1.00 44.12 H new ATOM 0 HB2 LYS A 95 -17.588 -5.405 -10.985 1.00 12.33 H new ATOM 0 HB3 LYS A 95 -17.483 -7.147 -10.830 1.00 12.33 H new ATOM 0 HG2 LYS A 95 -16.180 -6.204 -8.540 1.00 31.03 H new ATOM 0 HG3 LYS A 95 -17.511 -5.084 -8.750 1.00 31.03 H new ATOM 0 HD2 LYS A 95 -18.994 -7.193 -9.082 1.00 50.32 H new ATOM 0 HD3 LYS A 95 -17.639 -8.097 -8.436 1.00 50.32 H new ATOM 0 HE2 LYS A 95 -18.777 -5.697 -6.971 1.00 70.25 H new ATOM 0 HE3 LYS A 95 -19.475 -7.293 -6.784 1.00 70.25 H new ATOM 0 HZ1 LYS A 95 -17.843 -6.843 -5.071 1.00 10.53 H new ATOM 0 HZ2 LYS A 95 -17.313 -8.122 -6.054 1.00 10.53 H new ATOM 0 HZ3 LYS A 95 -16.637 -6.575 -6.236 1.00 10.53 H new ATOM 1521 N ASP A 96 -15.494 -7.800 -12.795 1.00 41.32 N ATOM 1522 CA ASP A 96 -15.157 -9.074 -13.420 1.00 23.41 C ATOM 1523 C ASP A 96 -14.564 -8.857 -14.809 1.00 62.11 C ATOM 1524 O ASP A 96 -14.362 -7.721 -15.239 1.00 71.52 O ATOM 1525 CB ASP A 96 -16.398 -9.963 -13.516 1.00 34.42 C ATOM 1526 CG ASP A 96 -17.619 -9.204 -13.996 1.00 4.22 C ATOM 1527 OD1 ASP A 96 -17.705 -8.923 -15.209 1.00 71.31 O ATOM 1528 OD2 ASP A 96 -18.491 -8.891 -13.157 1.00 55.12 O ATOM 0 H ASP A 96 -15.989 -7.149 -13.404 1.00 41.32 H new ATOM 0 HA ASP A 96 -14.411 -9.570 -12.799 1.00 23.41 H new ATOM 0 HB2 ASP A 96 -16.197 -10.790 -14.197 1.00 34.42 H new ATOM 0 HB3 ASP A 96 -16.606 -10.398 -12.539 1.00 34.42 H new ATOM 1533 N THR A 97 -14.286 -9.953 -15.506 1.00 53.23 N ATOM 1534 CA THR A 97 -13.713 -9.884 -16.845 1.00 42.22 C ATOM 1535 C THR A 97 -14.794 -9.649 -17.893 1.00 64.10 C ATOM 1536 O THR A 97 -14.528 -9.101 -18.964 1.00 11.15 O ATOM 1537 CB THR A 97 -12.946 -11.173 -17.196 1.00 22.12 C ATOM 1538 OG1 THR A 97 -11.905 -11.399 -16.238 1.00 62.44 O ATOM 1539 CG2 THR A 97 -12.349 -11.084 -18.592 1.00 15.45 C ATOM 0 H THR A 97 -14.448 -10.901 -15.166 1.00 53.23 H new ATOM 0 HA THR A 97 -13.018 -9.045 -16.848 1.00 42.22 H new ATOM 0 HB THR A 97 -13.648 -12.006 -17.172 1.00 22.12 H new ATOM 0 HG1 THR A 97 -12.300 -11.678 -15.385 1.00 62.44 H new ATOM 0 HG21 THR A 97 -11.812 -12.005 -18.818 1.00 15.45 H new ATOM 0 HG22 THR A 97 -13.147 -10.941 -19.321 1.00 15.45 H new ATOM 0 HG23 THR A 97 -11.659 -10.241 -18.640 1.00 15.45 H new ATOM 1547 N LYS A 98 -16.016 -10.064 -17.580 1.00 42.11 N ATOM 1548 CA LYS A 98 -17.140 -9.896 -18.494 1.00 40.20 C ATOM 1549 C LYS A 98 -17.424 -8.418 -18.742 1.00 75.05 C ATOM 1550 O LYS A 98 -17.651 -8.004 -19.879 1.00 44.55 O ATOM 1551 CB LYS A 98 -18.389 -10.579 -17.930 1.00 32.52 C ATOM 1552 CG LYS A 98 -19.611 -10.441 -18.821 1.00 44.43 C ATOM 1553 CD LYS A 98 -19.533 -11.370 -20.022 1.00 71.10 C ATOM 1554 CE LYS A 98 -20.817 -12.167 -20.196 1.00 31.35 C ATOM 1555 NZ LYS A 98 -20.582 -13.444 -20.923 1.00 43.42 N ATOM 0 H LYS A 98 -16.254 -10.520 -16.699 1.00 42.11 H new ATOM 0 HA LYS A 98 -16.876 -10.361 -19.444 1.00 40.20 H new ATOM 0 HB2 LYS A 98 -18.177 -11.638 -17.779 1.00 32.52 H new ATOM 0 HB3 LYS A 98 -18.614 -10.156 -16.951 1.00 32.52 H new ATOM 0 HG2 LYS A 98 -20.509 -10.664 -18.245 1.00 44.43 H new ATOM 0 HG3 LYS A 98 -19.699 -9.410 -19.163 1.00 44.43 H new ATOM 0 HD2 LYS A 98 -19.341 -10.787 -20.922 1.00 71.10 H new ATOM 0 HD3 LYS A 98 -18.693 -12.054 -19.900 1.00 71.10 H new ATOM 0 HE2 LYS A 98 -21.248 -12.380 -19.218 1.00 31.35 H new ATOM 0 HE3 LYS A 98 -21.546 -11.567 -20.741 1.00 31.35 H new ATOM 0 HZ1 LYS A 98 -21.481 -13.958 -21.021 1.00 43.42 H new ATOM 0 HZ2 LYS A 98 -20.195 -13.240 -21.866 1.00 43.42 H new ATOM 0 HZ3 LYS A 98 -19.906 -14.028 -20.390 1.00 43.42 H new ATOM 1569 N GLU A 99 -17.406 -7.629 -17.673 1.00 73.42 N ATOM 1570 CA GLU A 99 -17.661 -6.197 -17.778 1.00 31.34 C ATOM 1571 C GLU A 99 -16.538 -5.499 -18.541 1.00 2.11 C ATOM 1572 O GLU A 99 -16.789 -4.709 -19.450 1.00 73.52 O ATOM 1573 CB GLU A 99 -17.806 -5.579 -16.385 1.00 44.14 C ATOM 1574 CG GLU A 99 -19.148 -4.904 -16.157 1.00 21.23 C ATOM 1575 CD GLU A 99 -19.135 -3.437 -16.539 1.00 22.22 C ATOM 1576 OE1 GLU A 99 -18.502 -2.641 -15.814 1.00 60.11 O ATOM 1577 OE2 GLU A 99 -19.759 -3.083 -17.561 1.00 53.13 O ATOM 0 H GLU A 99 -17.218 -7.956 -16.725 1.00 73.42 H new ATOM 0 HA GLU A 99 -18.592 -6.059 -18.328 1.00 31.34 H new ATOM 0 HB2 GLU A 99 -17.668 -6.358 -15.635 1.00 44.14 H new ATOM 0 HB3 GLU A 99 -17.011 -4.848 -16.236 1.00 44.14 H new ATOM 0 HG2 GLU A 99 -19.913 -5.420 -16.737 1.00 21.23 H new ATOM 0 HG3 GLU A 99 -19.425 -5.000 -15.107 1.00 21.23 H new ATOM 1584 N ALA A 100 -15.300 -5.796 -18.162 1.00 54.14 N ATOM 1585 CA ALA A 100 -14.138 -5.200 -18.810 1.00 3.25 C ATOM 1586 C ALA A 100 -14.129 -5.501 -20.305 1.00 14.22 C ATOM 1587 O ALA A 100 -13.640 -4.703 -21.107 1.00 12.32 O ATOM 1588 CB ALA A 100 -12.856 -5.700 -18.161 1.00 3.22 C ATOM 0 H ALA A 100 -15.075 -6.446 -17.409 1.00 54.14 H new ATOM 0 HA ALA A 100 -14.198 -4.119 -18.684 1.00 3.25 H new ATOM 0 HB1 ALA A 100 -11.997 -5.246 -18.655 1.00 3.22 H new ATOM 0 HB2 ALA A 100 -12.853 -5.428 -17.105 1.00 3.22 H new ATOM 0 HB3 ALA A 100 -12.799 -6.784 -18.257 1.00 3.22 H new ATOM 1594 N LEU A 101 -14.670 -6.655 -20.674 1.00 41.25 N ATOM 1595 CA LEU A 101 -14.724 -7.063 -22.074 1.00 1.02 C ATOM 1596 C LEU A 101 -15.750 -6.237 -22.843 1.00 21.43 C ATOM 1597 O LEU A 101 -15.698 -6.148 -24.070 1.00 41.41 O ATOM 1598 CB LEU A 101 -15.066 -8.550 -22.181 1.00 64.00 C ATOM 1599 CG LEU A 101 -13.937 -9.524 -21.843 1.00 42.34 C ATOM 1600 CD1 LEU A 101 -14.500 -10.899 -21.515 1.00 72.34 C ATOM 1601 CD2 LEU A 101 -12.947 -9.611 -22.995 1.00 53.25 C ATOM 0 H LEU A 101 -15.078 -7.326 -20.024 1.00 41.25 H new ATOM 0 HA LEU A 101 -13.742 -6.890 -22.514 1.00 1.02 H new ATOM 0 HB2 LEU A 101 -15.908 -8.757 -21.520 1.00 64.00 H new ATOM 0 HB3 LEU A 101 -15.402 -8.753 -23.198 1.00 64.00 H new ATOM 0 HG LEU A 101 -13.410 -9.151 -20.965 1.00 42.34 H new ATOM 0 HD11 LEU A 101 -13.683 -11.580 -21.277 1.00 72.34 H new ATOM 0 HD12 LEU A 101 -15.170 -10.823 -20.659 1.00 72.34 H new ATOM 0 HD13 LEU A 101 -15.051 -11.281 -22.374 1.00 72.34 H new ATOM 0 HD21 LEU A 101 -12.150 -10.308 -22.738 1.00 53.25 H new ATOM 0 HD22 LEU A 101 -13.461 -9.961 -23.890 1.00 53.25 H new ATOM 0 HD23 LEU A 101 -12.520 -8.626 -23.183 1.00 53.25 H new ATOM 1613 N ASP A 102 -16.681 -5.631 -22.113 1.00 72.12 N ATOM 1614 CA ASP A 102 -17.718 -4.809 -22.726 1.00 34.24 C ATOM 1615 C ASP A 102 -17.269 -3.354 -22.825 1.00 64.11 C ATOM 1616 O ASP A 102 -17.505 -2.688 -23.833 1.00 35.21 O ATOM 1617 CB ASP A 102 -19.015 -4.902 -21.920 1.00 73.15 C ATOM 1618 CG ASP A 102 -20.064 -5.754 -22.608 1.00 22.45 C ATOM 1619 OD1 ASP A 102 -19.729 -6.880 -23.030 1.00 44.32 O ATOM 1620 OD2 ASP A 102 -21.218 -5.292 -22.726 1.00 44.42 O ATOM 0 H ASP A 102 -16.738 -5.694 -21.097 1.00 72.12 H new ATOM 0 HA ASP A 102 -17.898 -5.185 -23.733 1.00 34.24 H new ATOM 0 HB2 ASP A 102 -18.799 -5.320 -20.937 1.00 73.15 H new ATOM 0 HB3 ASP A 102 -19.413 -3.900 -21.760 1.00 73.15 H new ATOM 1625 N LYS A 103 -16.624 -2.866 -21.771 1.00 42.32 N ATOM 1626 CA LYS A 103 -16.142 -1.490 -21.738 1.00 13.30 C ATOM 1627 C LYS A 103 -14.949 -1.309 -22.672 1.00 43.44 C ATOM 1628 O LYS A 103 -14.700 -0.210 -23.168 1.00 14.11 O ATOM 1629 CB LYS A 103 -15.750 -1.100 -20.311 1.00 22.15 C ATOM 1630 CG LYS A 103 -16.049 0.351 -19.973 1.00 43.15 C ATOM 1631 CD LYS A 103 -17.378 0.492 -19.251 1.00 21.15 C ATOM 1632 CE LYS A 103 -18.184 1.663 -19.791 1.00 13.14 C ATOM 1633 NZ LYS A 103 -19.644 1.369 -19.813 1.00 51.11 N ATOM 0 H LYS A 103 -16.423 -3.403 -20.928 1.00 42.32 H new ATOM 0 HA LYS A 103 -16.949 -0.840 -22.077 1.00 13.30 H new ATOM 0 HB2 LYS A 103 -16.279 -1.744 -19.609 1.00 22.15 H new ATOM 0 HB3 LYS A 103 -14.685 -1.285 -20.172 1.00 22.15 H new ATOM 0 HG2 LYS A 103 -15.250 0.752 -19.349 1.00 43.15 H new ATOM 0 HG3 LYS A 103 -16.066 0.943 -20.888 1.00 43.15 H new ATOM 0 HD2 LYS A 103 -17.952 -0.428 -19.361 1.00 21.15 H new ATOM 0 HD3 LYS A 103 -17.201 0.632 -18.185 1.00 21.15 H new ATOM 0 HE2 LYS A 103 -18.000 2.544 -19.176 1.00 13.14 H new ATOM 0 HE3 LYS A 103 -17.846 1.902 -20.800 1.00 13.14 H new ATOM 0 HZ1 LYS A 103 -20.158 2.192 -20.187 1.00 51.11 H new ATOM 0 HZ2 LYS A 103 -19.823 0.543 -20.420 1.00 51.11 H new ATOM 0 HZ3 LYS A 103 -19.972 1.166 -18.847 1.00 51.11 H new ATOM 1647 N ILE A 104 -14.219 -2.393 -22.908 1.00 65.11 N ATOM 1648 CA ILE A 104 -13.055 -2.353 -23.785 1.00 52.23 C ATOM 1649 C ILE A 104 -13.454 -1.998 -25.213 1.00 24.04 C ATOM 1650 O ILE A 104 -12.667 -1.422 -25.963 1.00 13.22 O ATOM 1651 CB ILE A 104 -12.310 -3.701 -23.793 1.00 71.53 C ATOM 1652 CG1 ILE A 104 -10.956 -3.556 -24.491 1.00 22.54 C ATOM 1653 CG2 ILE A 104 -13.152 -4.767 -24.477 1.00 51.53 C ATOM 1654 CD1 ILE A 104 -9.782 -3.936 -23.617 1.00 31.15 C ATOM 0 H ILE A 104 -14.412 -3.310 -22.505 1.00 65.11 H new ATOM 0 HA ILE A 104 -12.392 -1.582 -23.393 1.00 52.23 H new ATOM 0 HB ILE A 104 -12.135 -4.009 -22.762 1.00 71.53 H new ATOM 0 HG12 ILE A 104 -10.949 -4.179 -25.386 1.00 22.54 H new ATOM 0 HG13 ILE A 104 -10.835 -2.524 -24.820 1.00 22.54 H new ATOM 0 HG21 ILE A 104 -12.612 -5.714 -24.475 1.00 51.53 H new ATOM 0 HG22 ILE A 104 -14.094 -4.885 -23.942 1.00 51.53 H new ATOM 0 HG23 ILE A 104 -13.354 -4.467 -25.505 1.00 51.53 H new ATOM 0 HD11 ILE A 104 -8.855 -3.809 -24.177 1.00 31.15 H new ATOM 0 HD12 ILE A 104 -9.763 -3.297 -22.734 1.00 31.15 H new ATOM 0 HD13 ILE A 104 -9.880 -4.977 -23.309 1.00 31.15 H new