USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= 0.00917 X(o=-2.2,f=-2.3) USER MOD Set 1.2: A 69 GLN : amide:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Set 2.1: A 41 THR OG1 : rot -160:sc= 0.134 USER MOD Set 2.2: A 108 LYS NZ :NH3+ 159:sc= 0.14 (180deg=0) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -9.83! C(o=-15!,f=-13!) USER MOD Set 3.2: A 106 MET CE :methyl 176:sc= -5.17! (180deg=-4.77) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -1.62! (180deg=-2.41!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 16:sc= -1.4 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 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 34 CYS SG : rot 8:sc= -4.7! USER MOD Single : A 37 SER OG : rot -5:sc= -0.759 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= -5.52! (180deg=-9.11!) USER MOD Single : A 56 SER OG : rot -95:sc= 1.1 USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= -0.806 (180deg=-3.03!) USER MOD Single : A 70 ASN : amide:sc= -16.4! C(o=-16!,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -8.27! (180deg=-10.5!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.135 USER MOD Single : A 83 THR OG1 : rot -51:sc= -1.74 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.142 (180deg=-0.816) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -36:sc= 0.217 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.887 -3.083 -0.219 1.00 13.30 N ATOM 30 CA ALA A 2 6.164 -3.491 0.340 1.00 22.02 C ATOM 31 C ALA A 2 6.435 -4.950 -0.031 1.00 22.54 C ATOM 32 O ALA A 2 7.589 -5.369 -0.116 1.00 74.03 O ATOM 33 CB ALA A 2 6.155 -3.266 1.854 1.00 74.05 C ATOM 0 HA ALA A 2 6.974 -2.890 -0.074 1.00 22.02 H new ATOM 0 HB1 ALA A 2 7.113 -3.572 2.273 1.00 74.05 H new ATOM 0 HB2 ALA A 2 5.988 -2.209 2.064 1.00 74.05 H new ATOM 0 HB3 ALA A 2 5.357 -3.856 2.305 1.00 74.05 H new ATOM 39 N PHE A 3 5.353 -5.685 -0.241 1.00 33.15 N ATOM 40 CA PHE A 3 5.459 -7.089 -0.600 1.00 42.11 C ATOM 41 C PHE A 3 5.990 -7.251 -2.026 1.00 1.01 C ATOM 42 O PHE A 3 6.241 -8.368 -2.476 1.00 34.14 O ATOM 43 CB PHE A 3 4.049 -7.678 -0.524 1.00 24.35 C ATOM 44 CG PHE A 3 3.694 -8.264 0.844 1.00 35.43 C ATOM 45 CD1 PHE A 3 4.258 -9.433 1.251 1.00 32.10 C ATOM 46 CD2 PHE A 3 2.813 -7.617 1.653 1.00 11.34 C ATOM 47 CE1 PHE A 3 3.927 -9.977 2.520 1.00 25.04 C ATOM 48 CE2 PHE A 3 2.483 -8.161 2.923 1.00 55.32 C ATOM 49 CZ PHE A 3 3.047 -9.329 3.329 1.00 32.45 C ATOM 0 H PHE A 3 4.398 -5.334 -0.169 1.00 33.15 H new ATOM 0 HA PHE A 3 6.148 -7.595 0.076 1.00 42.11 H new ATOM 0 HB2 PHE A 3 3.327 -6.900 -0.773 1.00 24.35 H new ATOM 0 HB3 PHE A 3 3.951 -8.458 -1.279 1.00 24.35 H new ATOM 0 HD1 PHE A 3 4.958 -9.947 0.609 1.00 32.10 H new ATOM 0 HD2 PHE A 3 2.364 -6.689 1.330 1.00 11.34 H new ATOM 0 HE1 PHE A 3 4.374 -10.906 2.843 1.00 25.04 H new ATOM 0 HE2 PHE A 3 1.784 -7.647 3.566 1.00 55.32 H new ATOM 0 HZ PHE A 3 2.796 -9.743 4.295 1.00 32.45 H new ATOM 59 N ALA A 4 6.146 -6.120 -2.697 1.00 50.54 N ATOM 60 CA ALA A 4 6.643 -6.122 -4.063 1.00 14.11 C ATOM 61 C ALA A 4 8.047 -6.728 -4.089 1.00 44.51 C ATOM 62 O ALA A 4 8.551 -7.090 -5.151 1.00 44.30 O ATOM 63 CB ALA A 4 6.611 -4.697 -4.620 1.00 63.42 C ATOM 0 H ALA A 4 5.937 -5.195 -2.321 1.00 50.54 H new ATOM 0 HA ALA A 4 6.008 -6.735 -4.702 1.00 14.11 H new ATOM 0 HB1 ALA A 4 6.984 -4.698 -5.644 1.00 63.42 H new ATOM 0 HB2 ALA A 4 5.587 -4.324 -4.607 1.00 63.42 H new ATOM 0 HB3 ALA A 4 7.240 -4.052 -4.006 1.00 63.42 H new ATOM 69 N SER A 5 8.640 -6.819 -2.908 1.00 12.25 N ATOM 70 CA SER A 5 9.977 -7.374 -2.782 1.00 34.35 C ATOM 71 C SER A 5 9.908 -8.763 -2.143 1.00 61.12 C ATOM 72 O SER A 5 10.651 -9.665 -2.528 1.00 42.42 O ATOM 73 CB SER A 5 10.879 -6.455 -1.957 1.00 25.04 C ATOM 74 OG SER A 5 11.390 -5.373 -2.731 1.00 15.22 O ATOM 0 H SER A 5 8.219 -6.518 -2.029 1.00 12.25 H new ATOM 0 HA SER A 5 10.407 -7.460 -3.780 1.00 34.35 H new ATOM 0 HB2 SER A 5 10.317 -6.061 -1.110 1.00 25.04 H new ATOM 0 HB3 SER A 5 11.709 -7.032 -1.549 1.00 25.04 H new ATOM 0 HG SER A 5 11.960 -4.808 -2.168 1.00 15.22 H new ATOM 80 N VAL A 6 9.009 -8.892 -1.178 1.00 63.14 N ATOM 81 CA VAL A 6 8.834 -10.156 -0.483 1.00 10.10 C ATOM 82 C VAL A 6 8.348 -11.215 -1.474 1.00 60.31 C ATOM 83 O VAL A 6 9.036 -12.205 -1.717 1.00 64.22 O ATOM 84 CB VAL A 6 7.889 -9.972 0.707 1.00 43.05 C ATOM 85 CG1 VAL A 6 7.687 -11.291 1.455 1.00 53.03 C ATOM 86 CG2 VAL A 6 8.400 -8.880 1.648 1.00 1.15 C ATOM 0 H VAL A 6 8.394 -8.142 -0.861 1.00 63.14 H new ATOM 0 HA VAL A 6 9.784 -10.503 -0.076 1.00 10.10 H new ATOM 0 HB VAL A 6 6.920 -9.655 0.321 1.00 43.05 H new ATOM 0 HG11 VAL A 6 7.012 -11.133 2.296 1.00 53.03 H new ATOM 0 HG12 VAL A 6 7.258 -12.031 0.779 1.00 53.03 H new ATOM 0 HG13 VAL A 6 8.647 -11.651 1.824 1.00 53.03 H new ATOM 0 HG21 VAL A 6 7.711 -8.769 2.485 1.00 1.15 H new ATOM 0 HG22 VAL A 6 9.386 -9.155 2.024 1.00 1.15 H new ATOM 0 HG23 VAL A 6 8.469 -7.936 1.107 1.00 1.15 H new ATOM 96 N LEU A 7 7.166 -10.971 -2.020 1.00 35.24 N ATOM 97 CA LEU A 7 6.579 -11.892 -2.979 1.00 4.12 C ATOM 98 C LEU A 7 6.514 -11.219 -4.351 1.00 45.32 C ATOM 99 O LEU A 7 6.983 -10.094 -4.518 1.00 3.34 O ATOM 100 CB LEU A 7 5.225 -12.398 -2.477 1.00 44.04 C ATOM 101 CG LEU A 7 5.216 -13.012 -1.076 1.00 61.20 C ATOM 102 CD1 LEU A 7 3.862 -12.805 -0.396 1.00 34.13 C ATOM 103 CD2 LEU A 7 5.615 -14.489 -1.122 1.00 13.41 C ATOM 0 H LEU A 7 6.598 -10.148 -1.817 1.00 35.24 H new ATOM 0 HA LEU A 7 7.204 -12.779 -3.087 1.00 4.12 H new ATOM 0 HB2 LEU A 7 4.520 -11.566 -2.492 1.00 44.04 H new ATOM 0 HB3 LEU A 7 4.854 -13.143 -3.181 1.00 44.04 H new ATOM 0 HG LEU A 7 5.962 -12.496 -0.472 1.00 61.20 H new ATOM 0 HD11 LEU A 7 3.882 -13.251 0.598 1.00 34.13 H new ATOM 0 HD12 LEU A 7 3.657 -11.738 -0.311 1.00 34.13 H new ATOM 0 HD13 LEU A 7 3.080 -13.279 -0.990 1.00 34.13 H new ATOM 0 HD21 LEU A 7 5.601 -14.901 -0.113 1.00 13.41 H new ATOM 0 HD22 LEU A 7 4.911 -15.037 -1.748 1.00 13.41 H new ATOM 0 HD23 LEU A 7 6.618 -14.582 -1.538 1.00 13.41 H new ATOM 115 N LYS A 8 5.929 -11.936 -5.299 1.00 44.44 N ATOM 116 CA LYS A 8 5.797 -11.422 -6.652 1.00 41.31 C ATOM 117 C LYS A 8 4.573 -10.507 -6.728 1.00 74.41 C ATOM 118 O LYS A 8 3.448 -10.950 -6.499 1.00 50.20 O ATOM 119 CB LYS A 8 5.770 -12.571 -7.662 1.00 20.03 C ATOM 120 CG LYS A 8 6.935 -13.535 -7.427 1.00 2.51 C ATOM 121 CD LYS A 8 8.228 -12.990 -8.037 1.00 63.12 C ATOM 122 CE LYS A 8 8.366 -13.417 -9.500 1.00 24.21 C ATOM 123 NZ LYS A 8 7.305 -12.796 -10.324 1.00 22.14 N ATOM 0 H LYS A 8 5.541 -12.869 -5.157 1.00 44.44 H new ATOM 0 HA LYS A 8 6.665 -10.817 -6.916 1.00 41.31 H new ATOM 0 HB2 LYS A 8 4.826 -13.109 -7.581 1.00 20.03 H new ATOM 0 HB3 LYS A 8 5.823 -12.171 -8.675 1.00 20.03 H new ATOM 0 HG2 LYS A 8 7.071 -13.693 -6.357 1.00 2.51 H new ATOM 0 HG3 LYS A 8 6.703 -14.506 -7.865 1.00 2.51 H new ATOM 0 HD2 LYS A 8 8.236 -11.902 -7.970 1.00 63.12 H new ATOM 0 HD3 LYS A 8 9.084 -13.351 -7.467 1.00 63.12 H new ATOM 0 HE2 LYS A 8 9.346 -13.126 -9.879 1.00 24.21 H new ATOM 0 HE3 LYS A 8 8.304 -14.503 -9.575 1.00 24.21 H new ATOM 0 HZ1 LYS A 8 7.560 -12.867 -11.330 1.00 22.14 H new ATOM 0 HZ2 LYS A 8 6.404 -13.290 -10.160 1.00 22.14 H new ATOM 0 HZ3 LYS A 8 7.204 -11.795 -10.062 1.00 22.14 H new ATOM 136 N ASP A 9 4.833 -9.249 -7.051 1.00 13.05 N ATOM 137 CA ASP A 9 3.766 -8.269 -7.160 1.00 12.54 C ATOM 138 C ASP A 9 2.774 -8.717 -8.235 1.00 65.51 C ATOM 139 O ASP A 9 1.631 -8.266 -8.257 1.00 75.03 O ATOM 140 CB ASP A 9 4.315 -6.899 -7.565 1.00 22.50 C ATOM 141 CG ASP A 9 3.265 -5.899 -8.052 1.00 33.41 C ATOM 142 OD1 ASP A 9 2.452 -5.393 -7.264 1.00 54.05 O ATOM 143 OD2 ASP A 9 3.302 -5.641 -9.315 1.00 43.12 O ATOM 0 H ASP A 9 5.767 -8.886 -7.241 1.00 13.05 H new ATOM 0 HA ASP A 9 3.281 -8.190 -6.187 1.00 12.54 H new ATOM 0 HB2 ASP A 9 4.838 -6.467 -6.711 1.00 22.50 H new ATOM 0 HB3 ASP A 9 5.054 -7.039 -8.354 1.00 22.50 H new ATOM 149 N ALA A 10 3.250 -9.601 -9.101 1.00 14.22 N ATOM 150 CA ALA A 10 2.419 -10.116 -10.176 1.00 43.34 C ATOM 151 C ALA A 10 1.597 -11.298 -9.659 1.00 1.31 C ATOM 152 O ALA A 10 0.573 -11.650 -10.243 1.00 45.42 O ATOM 153 CB ALA A 10 3.303 -10.496 -11.366 1.00 71.40 C ATOM 0 H ALA A 10 4.200 -9.973 -9.080 1.00 14.22 H new ATOM 0 HA ALA A 10 1.719 -9.354 -10.519 1.00 43.34 H new ATOM 0 HB1 ALA A 10 2.680 -10.882 -12.173 1.00 71.40 H new ATOM 0 HB2 ALA A 10 3.843 -9.615 -11.714 1.00 71.40 H new ATOM 0 HB3 ALA A 10 4.016 -11.261 -11.060 1.00 71.40 H new ATOM 159 N GLU A 11 2.076 -11.878 -8.568 1.00 71.13 N ATOM 160 CA GLU A 11 1.398 -13.013 -7.966 1.00 30.24 C ATOM 161 C GLU A 11 0.337 -12.532 -6.973 1.00 63.32 C ATOM 162 O GLU A 11 -0.857 -12.732 -7.190 1.00 62.41 O ATOM 163 CB GLU A 11 2.398 -13.952 -7.287 1.00 53.04 C ATOM 164 CG GLU A 11 3.208 -14.732 -8.325 1.00 3.34 C ATOM 165 CD GLU A 11 4.286 -15.584 -7.651 1.00 14.02 C ATOM 166 OE1 GLU A 11 4.648 -16.650 -8.171 1.00 11.14 O ATOM 167 OE2 GLU A 11 4.751 -15.103 -6.548 1.00 41.42 O ATOM 0 H GLU A 11 2.925 -11.583 -8.086 1.00 71.13 H new ATOM 0 HA GLU A 11 0.900 -13.575 -8.756 1.00 30.24 H new ATOM 0 HB2 GLU A 11 3.072 -13.375 -6.653 1.00 53.04 H new ATOM 0 HB3 GLU A 11 1.866 -14.647 -6.638 1.00 53.04 H new ATOM 0 HG2 GLU A 11 2.543 -15.372 -8.905 1.00 3.34 H new ATOM 0 HG3 GLU A 11 3.673 -14.038 -9.025 1.00 3.34 H new ATOM 175 N VAL A 12 0.812 -11.907 -5.906 1.00 33.43 N ATOM 176 CA VAL A 12 -0.081 -11.396 -4.879 1.00 61.43 C ATOM 177 C VAL A 12 -1.307 -10.766 -5.543 1.00 45.34 C ATOM 178 O VAL A 12 -2.411 -10.833 -5.007 1.00 13.13 O ATOM 179 CB VAL A 12 0.671 -10.425 -3.968 1.00 5.23 C ATOM 180 CG1 VAL A 12 1.980 -11.042 -3.471 1.00 3.45 C ATOM 181 CG2 VAL A 12 0.927 -9.094 -4.677 1.00 42.34 C ATOM 0 H VAL A 12 1.803 -11.743 -5.730 1.00 33.43 H new ATOM 0 HA VAL A 12 -0.437 -12.207 -4.244 1.00 61.43 H new ATOM 0 HB VAL A 12 0.043 -10.226 -3.100 1.00 5.23 H new ATOM 0 HG11 VAL A 12 2.495 -10.331 -2.825 1.00 3.45 H new ATOM 0 HG12 VAL A 12 1.764 -11.951 -2.910 1.00 3.45 H new ATOM 0 HG13 VAL A 12 2.615 -11.284 -4.323 1.00 3.45 H new ATOM 0 HG21 VAL A 12 1.463 -8.422 -4.007 1.00 42.34 H new ATOM 0 HG22 VAL A 12 1.525 -9.267 -5.572 1.00 42.34 H new ATOM 0 HG23 VAL A 12 -0.024 -8.643 -4.958 1.00 42.34 H new ATOM 191 N THR A 13 -1.070 -10.167 -6.701 1.00 60.15 N ATOM 192 CA THR A 13 -2.141 -9.525 -7.444 1.00 41.25 C ATOM 193 C THR A 13 -3.380 -10.422 -7.477 1.00 0.45 C ATOM 194 O THR A 13 -4.480 -9.978 -7.153 1.00 15.25 O ATOM 195 CB THR A 13 -1.608 -9.175 -8.835 1.00 63.22 C ATOM 196 OG1 THR A 13 -2.328 -8.000 -9.198 1.00 25.04 O ATOM 197 CG2 THR A 13 -2.014 -10.202 -9.894 1.00 34.54 C ATOM 0 H THR A 13 -0.152 -10.113 -7.143 1.00 60.15 H new ATOM 0 HA THR A 13 -2.459 -8.602 -6.960 1.00 41.25 H new ATOM 0 HB THR A 13 -0.521 -9.102 -8.798 1.00 63.22 H new ATOM 0 HG1 THR A 13 -2.043 -7.703 -10.087 1.00 25.04 H new ATOM 0 HG21 THR A 13 -1.610 -9.906 -10.862 1.00 34.54 H new ATOM 0 HG22 THR A 13 -1.621 -11.181 -9.621 1.00 34.54 H new ATOM 0 HG23 THR A 13 -3.101 -10.252 -9.955 1.00 34.54 H new ATOM 205 N ALA A 14 -3.160 -11.667 -7.870 1.00 65.32 N ATOM 206 CA ALA A 14 -4.245 -12.630 -7.949 1.00 24.52 C ATOM 207 C ALA A 14 -4.931 -12.731 -6.585 1.00 60.41 C ATOM 208 O ALA A 14 -6.142 -12.934 -6.509 1.00 62.01 O ATOM 209 CB ALA A 14 -3.698 -13.977 -8.428 1.00 35.02 C ATOM 0 H ALA A 14 -2.246 -12.032 -8.137 1.00 65.32 H new ATOM 0 HA ALA A 14 -4.994 -12.307 -8.672 1.00 24.52 H new ATOM 0 HB1 ALA A 14 -4.512 -14.700 -8.487 1.00 35.02 H new ATOM 0 HB2 ALA A 14 -3.247 -13.857 -9.413 1.00 35.02 H new ATOM 0 HB3 ALA A 14 -2.946 -14.335 -7.725 1.00 35.02 H new ATOM 215 N ALA A 15 -4.128 -12.586 -5.542 1.00 5.42 N ATOM 216 CA ALA A 15 -4.642 -12.658 -4.185 1.00 14.21 C ATOM 217 C ALA A 15 -5.427 -11.382 -3.873 1.00 50.22 C ATOM 218 O ALA A 15 -6.268 -11.370 -2.976 1.00 12.22 O ATOM 219 CB ALA A 15 -3.484 -12.883 -3.211 1.00 13.24 C ATOM 0 H ALA A 15 -3.124 -12.419 -5.609 1.00 5.42 H new ATOM 0 HA ALA A 15 -5.326 -13.500 -4.078 1.00 14.21 H new ATOM 0 HB1 ALA A 15 -3.870 -12.937 -2.193 1.00 13.24 H new ATOM 0 HB2 ALA A 15 -2.978 -13.816 -3.457 1.00 13.24 H new ATOM 0 HB3 ALA A 15 -2.778 -12.056 -3.288 1.00 13.24 H new ATOM 225 N LEU A 16 -5.124 -10.339 -4.632 1.00 1.33 N ATOM 226 CA LEU A 16 -5.790 -9.061 -4.448 1.00 13.33 C ATOM 227 C LEU A 16 -7.055 -9.021 -5.308 1.00 63.22 C ATOM 228 O LEU A 16 -8.030 -8.361 -4.955 1.00 12.53 O ATOM 229 CB LEU A 16 -4.823 -7.908 -4.723 1.00 10.44 C ATOM 230 CG LEU A 16 -4.018 -7.407 -3.522 1.00 25.11 C ATOM 231 CD1 LEU A 16 -2.720 -6.734 -3.974 1.00 52.12 C ATOM 232 CD2 LEU A 16 -4.863 -6.487 -2.639 1.00 52.24 C ATOM 0 H LEU A 16 -4.426 -10.353 -5.376 1.00 1.33 H new ATOM 0 HA LEU A 16 -6.105 -8.942 -3.411 1.00 13.33 H new ATOM 0 HB2 LEU A 16 -4.124 -8.223 -5.498 1.00 10.44 H new ATOM 0 HB3 LEU A 16 -5.392 -7.071 -5.128 1.00 10.44 H new ATOM 0 HG LEU A 16 -3.740 -8.269 -2.915 1.00 25.11 H new ATOM 0 HD11 LEU A 16 -2.167 -6.387 -3.101 1.00 52.12 H new ATOM 0 HD12 LEU A 16 -2.113 -7.450 -4.527 1.00 52.12 H new ATOM 0 HD13 LEU A 16 -2.955 -5.885 -4.616 1.00 52.12 H new ATOM 0 HD21 LEU A 16 -4.266 -6.146 -1.793 1.00 52.24 H new ATOM 0 HD22 LEU A 16 -5.193 -5.627 -3.221 1.00 52.24 H new ATOM 0 HD23 LEU A 16 -5.733 -7.032 -2.273 1.00 52.24 H new ATOM 244 N ASP A 17 -6.997 -9.737 -6.422 1.00 21.14 N ATOM 245 CA ASP A 17 -8.125 -9.792 -7.335 1.00 73.24 C ATOM 246 C ASP A 17 -9.063 -10.925 -6.913 1.00 61.13 C ATOM 247 O ASP A 17 -10.253 -10.898 -7.221 1.00 54.34 O ATOM 248 CB ASP A 17 -7.662 -10.071 -8.767 1.00 2.44 C ATOM 249 CG ASP A 17 -8.640 -9.635 -9.859 1.00 72.14 C ATOM 250 OD1 ASP A 17 -9.671 -10.285 -10.090 1.00 64.20 O ATOM 251 OD2 ASP A 17 -8.304 -8.565 -10.497 1.00 35.02 O ATOM 0 H ASP A 17 -6.186 -10.284 -6.712 1.00 21.14 H new ATOM 0 HA ASP A 17 -8.633 -8.828 -7.301 1.00 73.24 H new ATOM 0 HB2 ASP A 17 -6.710 -9.566 -8.930 1.00 2.44 H new ATOM 0 HB3 ASP A 17 -7.477 -11.140 -8.871 1.00 2.44 H new ATOM 257 N GLY A 18 -8.491 -11.895 -6.215 1.00 3.54 N ATOM 258 CA GLY A 18 -9.261 -13.035 -5.747 1.00 45.20 C ATOM 259 C GLY A 18 -10.155 -12.646 -4.568 1.00 24.33 C ATOM 260 O GLY A 18 -11.042 -13.405 -4.181 1.00 54.20 O ATOM 0 H GLY A 18 -7.503 -11.915 -5.962 1.00 3.54 H new ATOM 0 HA2 GLY A 18 -9.874 -13.423 -6.560 1.00 45.20 H new ATOM 0 HA3 GLY A 18 -8.586 -13.836 -5.447 1.00 45.20 H new ATOM 264 N CYS A 19 -9.889 -11.465 -4.029 1.00 73.31 N ATOM 265 CA CYS A 19 -10.659 -10.967 -2.902 1.00 23.03 C ATOM 266 C CYS A 19 -11.537 -9.814 -3.392 1.00 30.14 C ATOM 267 O CYS A 19 -12.508 -9.446 -2.733 1.00 12.52 O ATOM 268 CB CYS A 19 -9.754 -10.543 -1.743 1.00 13.12 C ATOM 269 SG CYS A 19 -8.421 -9.450 -2.357 1.00 71.20 S ATOM 0 H CYS A 19 -9.151 -10.839 -4.352 1.00 73.31 H new ATOM 0 HA CYS A 19 -11.292 -11.763 -2.510 1.00 23.03 H new ATOM 0 HB2 CYS A 19 -10.340 -10.025 -0.984 1.00 13.12 H new ATOM 0 HB3 CYS A 19 -9.323 -11.423 -1.266 1.00 13.12 H new ATOM 0 HG CYS A 19 -8.728 -9.016 -3.543 1.00 71.20 H new ATOM 275 N LYS A 20 -11.164 -9.277 -4.544 1.00 13.31 N ATOM 276 CA LYS A 20 -11.906 -8.173 -5.130 1.00 31.13 C ATOM 277 C LYS A 20 -13.405 -8.415 -4.941 1.00 51.21 C ATOM 278 O LYS A 20 -14.181 -7.467 -4.833 1.00 15.15 O ATOM 279 CB LYS A 20 -11.495 -7.966 -6.589 1.00 33.11 C ATOM 280 CG LYS A 20 -10.347 -6.961 -6.698 1.00 10.11 C ATOM 281 CD LYS A 20 -10.857 -5.527 -6.542 1.00 51.23 C ATOM 282 CE LYS A 20 -12.022 -5.253 -7.496 1.00 45.41 C ATOM 283 NZ LYS A 20 -12.198 -3.796 -7.693 1.00 60.43 N ATOM 0 H LYS A 20 -10.358 -9.585 -5.088 1.00 13.31 H new ATOM 0 HA LYS A 20 -11.667 -7.240 -4.621 1.00 31.13 H new ATOM 0 HB2 LYS A 20 -11.192 -8.918 -7.024 1.00 33.11 H new ATOM 0 HB3 LYS A 20 -12.350 -7.611 -7.164 1.00 33.11 H new ATOM 0 HG2 LYS A 20 -9.601 -7.171 -5.931 1.00 10.11 H new ATOM 0 HG3 LYS A 20 -9.852 -7.072 -7.663 1.00 10.11 H new ATOM 0 HD2 LYS A 20 -11.178 -5.361 -5.514 1.00 51.23 H new ATOM 0 HD3 LYS A 20 -10.047 -4.825 -6.741 1.00 51.23 H new ATOM 0 HE2 LYS A 20 -11.836 -5.736 -8.455 1.00 45.41 H new ATOM 0 HE3 LYS A 20 -12.938 -5.685 -7.094 1.00 45.41 H new ATOM 0 HZ1 LYS A 20 -12.992 -3.627 -8.343 1.00 60.43 H new ATOM 0 HZ2 LYS A 20 -12.397 -3.343 -6.778 1.00 60.43 H new ATOM 0 HZ3 LYS A 20 -11.329 -3.393 -8.097 1.00 60.43 H new ATOM 296 N ALA A 21 -13.767 -9.689 -4.908 1.00 10.10 N ATOM 297 CA ALA A 21 -15.159 -10.067 -4.734 1.00 72.24 C ATOM 298 C ALA A 21 -15.538 -9.937 -3.258 1.00 32.01 C ATOM 299 O ALA A 21 -15.089 -10.725 -2.426 1.00 54.44 O ATOM 300 CB ALA A 21 -15.374 -11.485 -5.269 1.00 4.33 C ATOM 0 H ALA A 21 -13.120 -10.473 -4.999 1.00 10.10 H new ATOM 0 HA ALA A 21 -15.811 -9.402 -5.301 1.00 72.24 H new ATOM 0 HB1 ALA A 21 -16.418 -11.769 -5.138 1.00 4.33 H new ATOM 0 HB2 ALA A 21 -15.119 -11.517 -6.328 1.00 4.33 H new ATOM 0 HB3 ALA A 21 -14.738 -12.181 -4.722 1.00 4.33 H new ATOM 306 N ALA A 22 -16.361 -8.937 -2.977 1.00 23.01 N ATOM 307 CA ALA A 22 -16.805 -8.694 -1.615 1.00 52.41 C ATOM 308 C ALA A 22 -17.360 -9.992 -1.025 1.00 4.35 C ATOM 309 O ALA A 22 -17.941 -10.805 -1.741 1.00 13.02 O ATOM 310 CB ALA A 22 -17.836 -7.563 -1.609 1.00 32.21 C ATOM 0 H ALA A 22 -16.732 -8.286 -3.669 1.00 23.01 H new ATOM 0 HA ALA A 22 -15.970 -8.378 -0.989 1.00 52.41 H new ATOM 0 HB1 ALA A 22 -18.170 -7.380 -0.588 1.00 32.21 H new ATOM 0 HB2 ALA A 22 -17.384 -6.656 -2.011 1.00 32.21 H new ATOM 0 HB3 ALA A 22 -18.690 -7.846 -2.224 1.00 32.21 H new ATOM 316 N GLY A 23 -17.160 -10.145 0.276 1.00 24.21 N ATOM 317 CA GLY A 23 -17.632 -11.331 0.971 1.00 12.52 C ATOM 318 C GLY A 23 -17.121 -12.604 0.294 1.00 51.32 C ATOM 319 O GLY A 23 -17.669 -13.685 0.502 1.00 14.11 O ATOM 0 H GLY A 23 -16.678 -9.468 0.867 1.00 24.21 H new ATOM 0 HA2 GLY A 23 -17.297 -11.307 2.008 1.00 12.52 H new ATOM 0 HA3 GLY A 23 -18.722 -11.337 0.989 1.00 12.52 H new ATOM 323 N SER A 24 -16.077 -12.433 -0.503 1.00 63.34 N ATOM 324 CA SER A 24 -15.486 -13.555 -1.213 1.00 24.23 C ATOM 325 C SER A 24 -14.002 -13.674 -0.859 1.00 63.54 C ATOM 326 O SER A 24 -13.258 -14.397 -1.522 1.00 13.42 O ATOM 327 CB SER A 24 -15.661 -13.405 -2.725 1.00 44.51 C ATOM 328 OG SER A 24 -15.679 -14.666 -3.389 1.00 14.44 O ATOM 0 H SER A 24 -15.625 -11.535 -0.673 1.00 63.34 H new ATOM 0 HA SER A 24 -16.001 -14.465 -0.904 1.00 24.23 H new ATOM 0 HB2 SER A 24 -16.590 -12.874 -2.931 1.00 44.51 H new ATOM 0 HB3 SER A 24 -14.850 -12.796 -3.125 1.00 44.51 H new ATOM 0 HG SER A 24 -15.794 -14.527 -4.352 1.00 14.44 H new ATOM 334 N PHE A 25 -13.615 -12.955 0.184 1.00 70.12 N ATOM 335 CA PHE A 25 -12.233 -12.971 0.633 1.00 33.12 C ATOM 336 C PHE A 25 -12.015 -14.049 1.697 1.00 12.11 C ATOM 337 O PHE A 25 -12.591 -13.981 2.782 1.00 50.21 O ATOM 338 CB PHE A 25 -11.947 -11.600 1.248 1.00 41.54 C ATOM 339 CG PHE A 25 -10.657 -11.542 2.068 1.00 64.31 C ATOM 340 CD1 PHE A 25 -9.488 -11.980 1.528 1.00 45.32 C ATOM 341 CD2 PHE A 25 -10.679 -11.054 3.337 1.00 22.20 C ATOM 342 CE1 PHE A 25 -8.290 -11.927 2.289 1.00 11.32 C ATOM 343 CE2 PHE A 25 -9.481 -11.001 4.098 1.00 33.24 C ATOM 344 CZ PHE A 25 -8.312 -11.439 3.558 1.00 12.44 C ATOM 0 H PHE A 25 -14.234 -12.357 0.731 1.00 70.12 H new ATOM 0 HA PHE A 25 -11.572 -13.187 -0.206 1.00 33.12 H new ATOM 0 HB2 PHE A 25 -11.891 -10.860 0.450 1.00 41.54 H new ATOM 0 HB3 PHE A 25 -12.784 -11.318 1.887 1.00 41.54 H new ATOM 0 HD1 PHE A 25 -9.471 -12.368 0.520 1.00 45.32 H new ATOM 0 HD2 PHE A 25 -11.607 -10.707 3.766 1.00 22.20 H new ATOM 0 HE1 PHE A 25 -7.362 -12.274 1.860 1.00 11.32 H new ATOM 0 HE2 PHE A 25 -9.498 -10.613 5.106 1.00 33.24 H new ATOM 0 HZ PHE A 25 -7.401 -11.399 4.137 1.00 12.44 H new ATOM 354 N ASP A 26 -11.182 -15.019 1.349 1.00 12.42 N ATOM 355 CA ASP A 26 -10.881 -16.109 2.261 1.00 61.43 C ATOM 356 C ASP A 26 -9.404 -16.047 2.654 1.00 45.45 C ATOM 357 O ASP A 26 -8.546 -16.573 1.945 1.00 14.33 O ATOM 358 CB ASP A 26 -11.137 -17.466 1.601 1.00 54.53 C ATOM 359 CG ASP A 26 -11.112 -18.663 2.553 1.00 73.14 C ATOM 360 OD1 ASP A 26 -10.713 -18.542 3.720 1.00 22.52 O ATOM 361 OD2 ASP A 26 -11.531 -19.772 2.044 1.00 31.33 O ATOM 0 H ASP A 26 -10.706 -15.073 0.448 1.00 12.42 H new ATOM 0 HA ASP A 26 -11.525 -16.005 3.134 1.00 61.43 H new ATOM 0 HB2 ASP A 26 -12.108 -17.435 1.106 1.00 54.53 H new ATOM 0 HB3 ASP A 26 -10.388 -17.623 0.825 1.00 54.53 H new ATOM 367 N HIS A 27 -9.151 -15.399 3.781 1.00 10.42 N ATOM 368 CA HIS A 27 -7.792 -15.260 4.277 1.00 71.33 C ATOM 369 C HIS A 27 -7.029 -16.568 4.055 1.00 35.12 C ATOM 370 O HIS A 27 -5.912 -16.560 3.541 1.00 74.15 O ATOM 371 CB HIS A 27 -7.790 -14.813 5.740 1.00 73.41 C ATOM 372 CG HIS A 27 -7.762 -15.953 6.730 1.00 22.12 C ATOM 373 ND1 HIS A 27 -8.909 -16.582 7.183 1.00 43.04 N ATOM 374 CD2 HIS A 27 -6.715 -16.571 7.349 1.00 45.54 C ATOM 375 CE1 HIS A 27 -8.556 -17.533 8.035 1.00 3.32 C ATOM 376 NE2 HIS A 27 -7.196 -17.524 8.137 1.00 4.41 N ATOM 0 H HIS A 27 -9.865 -14.964 4.366 1.00 10.42 H new ATOM 0 HA HIS A 27 -7.275 -14.479 3.719 1.00 71.33 H new ATOM 0 HB2 HIS A 27 -6.924 -14.174 5.913 1.00 73.41 H new ATOM 0 HB3 HIS A 27 -8.676 -14.206 5.925 1.00 73.41 H new ATOM 0 HD1 HIS A 27 -9.864 -16.352 6.908 1.00 43.04 H new ATOM 0 HD2 HIS A 27 -5.671 -16.326 7.220 1.00 45.54 H new ATOM 0 HE1 HIS A 27 -9.227 -18.199 8.557 1.00 3.32 H new ATOM 384 N LYS A 28 -7.664 -17.660 4.455 1.00 23.50 N ATOM 385 CA LYS A 28 -7.059 -18.973 4.307 1.00 72.52 C ATOM 386 C LYS A 28 -6.565 -19.143 2.869 1.00 63.01 C ATOM 387 O LYS A 28 -5.428 -19.556 2.644 1.00 0.12 O ATOM 388 CB LYS A 28 -8.033 -20.065 4.755 1.00 23.31 C ATOM 389 CG LYS A 28 -7.895 -20.341 6.254 1.00 53.21 C ATOM 390 CD LYS A 28 -8.340 -21.765 6.593 1.00 52.04 C ATOM 391 CE LYS A 28 -9.717 -22.065 5.997 1.00 31.41 C ATOM 392 NZ LYS A 28 -10.356 -23.193 6.712 1.00 51.10 N ATOM 0 H LYS A 28 -8.591 -17.663 4.881 1.00 23.50 H new ATOM 0 HA LYS A 28 -6.189 -19.067 4.957 1.00 72.52 H new ATOM 0 HB2 LYS A 28 -9.055 -19.760 4.530 1.00 23.31 H new ATOM 0 HB3 LYS A 28 -7.842 -20.980 4.194 1.00 23.31 H new ATOM 0 HG2 LYS A 28 -6.859 -20.198 6.560 1.00 53.21 H new ATOM 0 HG3 LYS A 28 -8.495 -19.625 6.816 1.00 53.21 H new ATOM 0 HD2 LYS A 28 -7.611 -22.479 6.210 1.00 52.04 H new ATOM 0 HD3 LYS A 28 -8.372 -21.892 7.675 1.00 52.04 H new ATOM 0 HE2 LYS A 28 -10.349 -21.180 6.063 1.00 31.41 H new ATOM 0 HE3 LYS A 28 -9.617 -22.307 4.939 1.00 31.41 H new ATOM 0 HZ1 LYS A 28 -11.290 -23.384 6.295 1.00 51.10 H new ATOM 0 HZ2 LYS A 28 -9.759 -24.040 6.627 1.00 51.10 H new ATOM 0 HZ3 LYS A 28 -10.469 -22.948 7.716 1.00 51.10 H new ATOM 405 N LYS A 29 -7.443 -18.816 1.932 1.00 0.25 N ATOM 406 CA LYS A 29 -7.110 -18.927 0.522 1.00 1.35 C ATOM 407 C LYS A 29 -5.998 -17.931 0.186 1.00 62.43 C ATOM 408 O LYS A 29 -4.931 -18.323 -0.286 1.00 55.12 O ATOM 409 CB LYS A 29 -8.364 -18.762 -0.339 1.00 22.32 C ATOM 410 CG LYS A 29 -9.467 -19.723 0.110 1.00 63.45 C ATOM 411 CD LYS A 29 -9.253 -21.118 -0.482 1.00 44.03 C ATOM 412 CE LYS A 29 -10.546 -21.935 -0.442 1.00 25.01 C ATOM 413 NZ LYS A 29 -10.463 -23.082 -1.374 1.00 11.13 N ATOM 0 H LYS A 29 -8.385 -18.474 2.122 1.00 0.25 H new ATOM 0 HA LYS A 29 -6.726 -19.922 0.298 1.00 1.35 H new ATOM 0 HB2 LYS A 29 -8.722 -17.735 -0.273 1.00 22.32 H new ATOM 0 HB3 LYS A 29 -8.119 -18.947 -1.385 1.00 22.32 H new ATOM 0 HG2 LYS A 29 -9.480 -19.784 1.198 1.00 63.45 H new ATOM 0 HG3 LYS A 29 -10.438 -19.338 -0.200 1.00 63.45 H new ATOM 0 HD2 LYS A 29 -8.906 -21.031 -1.511 1.00 44.03 H new ATOM 0 HD3 LYS A 29 -8.473 -21.637 0.075 1.00 44.03 H new ATOM 0 HE2 LYS A 29 -10.725 -22.294 0.571 1.00 25.01 H new ATOM 0 HE3 LYS A 29 -11.392 -21.302 -0.710 1.00 25.01 H new ATOM 0 HZ1 LYS A 29 -11.348 -23.626 -1.335 1.00 11.13 H new ATOM 0 HZ2 LYS A 29 -10.314 -22.733 -2.342 1.00 11.13 H new ATOM 0 HZ3 LYS A 29 -9.668 -23.694 -1.101 1.00 11.13 H new ATOM 426 N PHE A 30 -6.285 -16.663 0.442 1.00 63.54 N ATOM 427 CA PHE A 30 -5.322 -15.609 0.172 1.00 70.15 C ATOM 428 C PHE A 30 -3.901 -16.063 0.513 1.00 73.12 C ATOM 429 O PHE A 30 -3.046 -16.153 -0.367 1.00 34.10 O ATOM 430 CB PHE A 30 -5.694 -14.424 1.065 1.00 74.13 C ATOM 431 CG PHE A 30 -5.000 -13.115 0.683 1.00 13.01 C ATOM 432 CD1 PHE A 30 -5.705 -12.125 0.072 1.00 3.22 C ATOM 433 CD2 PHE A 30 -3.679 -12.942 0.955 1.00 51.44 C ATOM 434 CE1 PHE A 30 -5.061 -10.910 -0.282 1.00 44.00 C ATOM 435 CE2 PHE A 30 -3.035 -11.727 0.600 1.00 1.33 C ATOM 436 CZ PHE A 30 -3.739 -10.736 -0.011 1.00 33.54 C ATOM 0 H PHE A 30 -7.170 -16.342 0.833 1.00 63.54 H new ATOM 0 HA PHE A 30 -5.346 -15.345 -0.885 1.00 70.15 H new ATOM 0 HB2 PHE A 30 -6.773 -14.276 1.024 1.00 74.13 H new ATOM 0 HB3 PHE A 30 -5.444 -14.668 2.098 1.00 74.13 H new ATOM 0 HD1 PHE A 30 -6.754 -12.263 -0.144 1.00 3.22 H new ATOM 0 HD2 PHE A 30 -3.120 -13.728 1.441 1.00 51.44 H new ATOM 0 HE1 PHE A 30 -5.621 -10.124 -0.767 1.00 44.00 H new ATOM 0 HE2 PHE A 30 -1.986 -11.590 0.815 1.00 1.33 H new ATOM 0 HZ PHE A 30 -3.249 -9.812 -0.281 1.00 33.54 H new ATOM 446 N PHE A 31 -3.693 -16.337 1.792 1.00 32.22 N ATOM 447 CA PHE A 31 -2.391 -16.780 2.261 1.00 41.34 C ATOM 448 C PHE A 31 -1.911 -18.001 1.474 1.00 70.03 C ATOM 449 O PHE A 31 -0.718 -18.146 1.212 1.00 21.05 O ATOM 450 CB PHE A 31 -2.553 -17.167 3.732 1.00 64.12 C ATOM 451 CG PHE A 31 -2.520 -15.979 4.695 1.00 1.13 C ATOM 452 CD1 PHE A 31 -1.425 -15.173 4.745 1.00 71.44 C ATOM 453 CD2 PHE A 31 -3.585 -15.728 5.502 1.00 34.45 C ATOM 454 CE1 PHE A 31 -1.395 -14.071 5.639 1.00 43.22 C ATOM 455 CE2 PHE A 31 -3.555 -14.626 6.397 1.00 41.33 C ATOM 456 CZ PHE A 31 -2.460 -13.820 6.446 1.00 32.20 C ATOM 0 H PHE A 31 -4.405 -16.261 2.519 1.00 32.22 H new ATOM 0 HA PHE A 31 -1.658 -15.985 2.128 1.00 41.34 H new ATOM 0 HB2 PHE A 31 -3.498 -17.696 3.856 1.00 64.12 H new ATOM 0 HB3 PHE A 31 -1.760 -17.864 4.003 1.00 64.12 H new ATOM 0 HD1 PHE A 31 -0.579 -15.372 4.104 1.00 71.44 H new ATOM 0 HD2 PHE A 31 -4.455 -16.367 5.462 1.00 34.45 H new ATOM 0 HE1 PHE A 31 -0.526 -13.431 5.678 1.00 43.22 H new ATOM 0 HE2 PHE A 31 -4.401 -14.428 7.038 1.00 41.33 H new ATOM 0 HZ PHE A 31 -2.437 -12.981 7.126 1.00 32.20 H new ATOM 466 N LYS A 32 -2.865 -18.848 1.118 1.00 75.30 N ATOM 467 CA LYS A 32 -2.555 -20.052 0.366 1.00 33.42 C ATOM 468 C LYS A 32 -2.248 -19.677 -1.085 1.00 23.41 C ATOM 469 O LYS A 32 -1.617 -20.447 -1.808 1.00 42.32 O ATOM 470 CB LYS A 32 -3.680 -21.079 0.511 1.00 74.12 C ATOM 471 CG LYS A 32 -3.151 -22.502 0.324 1.00 72.52 C ATOM 472 CD LYS A 32 -4.269 -23.449 -0.119 1.00 63.11 C ATOM 473 CE LYS A 32 -3.696 -24.687 -0.813 1.00 10.32 C ATOM 474 NZ LYS A 32 -3.062 -25.588 0.175 1.00 10.14 N ATOM 0 H LYS A 32 -3.854 -18.724 1.336 1.00 75.30 H new ATOM 0 HA LYS A 32 -1.663 -20.532 0.767 1.00 33.42 H new ATOM 0 HB2 LYS A 32 -4.139 -20.984 1.495 1.00 74.12 H new ATOM 0 HB3 LYS A 32 -4.459 -20.877 -0.225 1.00 74.12 H new ATOM 0 HG2 LYS A 32 -2.353 -22.503 -0.419 1.00 72.52 H new ATOM 0 HG3 LYS A 32 -2.717 -22.858 1.258 1.00 72.52 H new ATOM 0 HD2 LYS A 32 -4.858 -23.753 0.747 1.00 63.11 H new ATOM 0 HD3 LYS A 32 -4.945 -22.928 -0.797 1.00 63.11 H new ATOM 0 HE2 LYS A 32 -4.490 -25.216 -1.340 1.00 10.32 H new ATOM 0 HE3 LYS A 32 -2.963 -24.385 -1.561 1.00 10.32 H new ATOM 0 HZ1 LYS A 32 -2.678 -26.423 -0.312 1.00 10.14 H new ATOM 0 HZ2 LYS A 32 -2.291 -25.085 0.659 1.00 10.14 H new ATOM 0 HZ3 LYS A 32 -3.770 -25.890 0.874 1.00 10.14 H new ATOM 487 N ALA A 33 -2.708 -18.495 -1.467 1.00 63.33 N ATOM 488 CA ALA A 33 -2.490 -18.009 -2.819 1.00 44.10 C ATOM 489 C ALA A 33 -1.047 -17.518 -2.953 1.00 41.40 C ATOM 490 O ALA A 33 -0.277 -18.052 -3.750 1.00 10.40 O ATOM 491 CB ALA A 33 -3.510 -16.915 -3.139 1.00 12.21 C ATOM 0 H ALA A 33 -3.231 -17.860 -0.864 1.00 63.33 H new ATOM 0 HA ALA A 33 -2.634 -18.811 -3.543 1.00 44.10 H new ATOM 0 HB1 ALA A 33 -3.346 -16.550 -4.153 1.00 12.21 H new ATOM 0 HB2 ALA A 33 -4.518 -17.322 -3.058 1.00 12.21 H new ATOM 0 HB3 ALA A 33 -3.394 -16.092 -2.434 1.00 12.21 H new ATOM 497 N CYS A 34 -0.724 -16.506 -2.161 1.00 51.31 N ATOM 498 CA CYS A 34 0.613 -15.936 -2.181 1.00 74.43 C ATOM 499 C CYS A 34 1.605 -17.026 -1.769 1.00 51.51 C ATOM 500 O CYS A 34 2.795 -16.929 -2.063 1.00 5.25 O ATOM 501 CB CYS A 34 0.715 -14.702 -1.284 1.00 1.43 C ATOM 502 SG CYS A 34 0.023 -15.071 0.370 1.00 40.43 S ATOM 0 H CYS A 34 -1.365 -16.066 -1.501 1.00 51.31 H new ATOM 0 HA CYS A 34 0.850 -15.592 -3.188 1.00 74.43 H new ATOM 0 HB2 CYS A 34 1.757 -14.395 -1.191 1.00 1.43 H new ATOM 0 HB3 CYS A 34 0.176 -13.869 -1.735 1.00 1.43 H new ATOM 0 HG CYS A 34 -0.251 -16.339 0.453 1.00 40.43 H new ATOM 508 N GLY A 35 1.078 -18.037 -1.095 1.00 71.33 N ATOM 509 CA GLY A 35 1.903 -19.144 -0.640 1.00 15.41 C ATOM 510 C GLY A 35 2.265 -18.985 0.838 1.00 20.11 C ATOM 511 O GLY A 35 2.798 -19.908 1.453 1.00 42.35 O ATOM 0 H GLY A 35 0.090 -18.113 -0.853 1.00 71.33 H new ATOM 0 HA2 GLY A 35 1.372 -20.084 -0.789 1.00 15.41 H new ATOM 0 HA3 GLY A 35 2.813 -19.194 -1.238 1.00 15.41 H new ATOM 515 N LEU A 36 1.961 -17.809 1.366 1.00 2.51 N ATOM 516 CA LEU A 36 2.248 -17.517 2.760 1.00 24.34 C ATOM 517 C LEU A 36 1.936 -18.751 3.609 1.00 32.14 C ATOM 518 O LEU A 36 2.567 -18.975 4.641 1.00 32.13 O ATOM 519 CB LEU A 36 1.505 -16.258 3.209 1.00 53.32 C ATOM 520 CG LEU A 36 2.258 -14.937 3.036 1.00 12.04 C ATOM 521 CD1 LEU A 36 1.303 -13.745 3.129 1.00 72.34 C ATOM 522 CD2 LEU A 36 3.409 -14.828 4.038 1.00 42.40 C ATOM 0 H LEU A 36 1.518 -17.046 0.853 1.00 2.51 H new ATOM 0 HA LEU A 36 3.307 -17.297 2.892 1.00 24.34 H new ATOM 0 HB2 LEU A 36 0.569 -16.195 2.654 1.00 53.32 H new ATOM 0 HB3 LEU A 36 1.245 -16.370 4.262 1.00 53.32 H new ATOM 0 HG LEU A 36 2.696 -14.921 2.038 1.00 12.04 H new ATOM 0 HD11 LEU A 36 1.864 -12.819 3.003 1.00 72.34 H new ATOM 0 HD12 LEU A 36 0.548 -13.822 2.347 1.00 72.34 H new ATOM 0 HD13 LEU A 36 0.816 -13.744 4.104 1.00 72.34 H new ATOM 0 HD21 LEU A 36 3.928 -13.880 3.894 1.00 42.40 H new ATOM 0 HD22 LEU A 36 3.014 -14.875 5.053 1.00 42.40 H new ATOM 0 HD23 LEU A 36 4.106 -15.651 3.882 1.00 42.40 H new ATOM 534 N SER A 37 0.962 -19.519 3.144 1.00 60.34 N ATOM 535 CA SER A 37 0.558 -20.725 3.847 1.00 1.33 C ATOM 536 C SER A 37 1.609 -21.820 3.654 1.00 34.23 C ATOM 537 O SER A 37 1.892 -22.222 2.527 1.00 51.13 O ATOM 538 CB SER A 37 -0.810 -21.211 3.366 1.00 54.10 C ATOM 539 OG SER A 37 -0.716 -21.958 2.156 1.00 54.31 O ATOM 0 H SER A 37 0.440 -19.330 2.288 1.00 60.34 H new ATOM 0 HA SER A 37 0.477 -20.491 4.909 1.00 1.33 H new ATOM 0 HB2 SER A 37 -1.268 -21.829 4.139 1.00 54.10 H new ATOM 0 HB3 SER A 37 -1.466 -20.354 3.213 1.00 54.10 H new ATOM 0 HG SER A 37 0.207 -21.935 1.828 1.00 54.31 H new ATOM 545 N GLY A 38 2.158 -22.273 4.772 1.00 54.50 N ATOM 546 CA GLY A 38 3.171 -23.314 4.740 1.00 13.31 C ATOM 547 C GLY A 38 4.577 -22.710 4.716 1.00 75.41 C ATOM 548 O GLY A 38 5.555 -23.395 5.012 1.00 52.14 O ATOM 0 H GLY A 38 1.920 -21.938 5.706 1.00 54.50 H new ATOM 0 HA2 GLY A 38 3.063 -23.959 5.612 1.00 13.31 H new ATOM 0 HA3 GLY A 38 3.026 -23.941 3.860 1.00 13.31 H new ATOM 552 N LYS A 39 4.633 -21.435 4.361 1.00 75.21 N ATOM 553 CA LYS A 39 5.902 -20.732 4.294 1.00 3.12 C ATOM 554 C LYS A 39 6.623 -20.861 5.638 1.00 52.42 C ATOM 555 O LYS A 39 6.201 -21.628 6.502 1.00 54.24 O ATOM 556 CB LYS A 39 5.690 -19.284 3.846 1.00 22.43 C ATOM 557 CG LYS A 39 5.756 -19.167 2.322 1.00 1.11 C ATOM 558 CD LYS A 39 7.106 -19.656 1.792 1.00 13.44 C ATOM 559 CE LYS A 39 7.509 -18.890 0.530 1.00 30.35 C ATOM 560 NZ LYS A 39 8.484 -19.673 -0.261 1.00 72.43 N ATOM 0 H LYS A 39 3.819 -20.870 4.117 1.00 75.21 H new ATOM 0 HA LYS A 39 6.548 -21.183 3.540 1.00 3.12 H new ATOM 0 HB2 LYS A 39 4.723 -18.928 4.200 1.00 22.43 H new ATOM 0 HB3 LYS A 39 6.449 -18.645 4.297 1.00 22.43 H new ATOM 0 HG2 LYS A 39 4.952 -19.751 1.874 1.00 1.11 H new ATOM 0 HG3 LYS A 39 5.599 -18.130 2.026 1.00 1.11 H new ATOM 0 HD2 LYS A 39 7.870 -19.528 2.559 1.00 13.44 H new ATOM 0 HD3 LYS A 39 7.050 -20.722 1.572 1.00 13.44 H new ATOM 0 HE2 LYS A 39 6.626 -18.681 -0.074 1.00 30.35 H new ATOM 0 HE3 LYS A 39 7.943 -17.928 0.804 1.00 30.35 H new ATOM 0 HZ1 LYS A 39 8.747 -19.139 -1.114 1.00 72.43 H new ATOM 0 HZ2 LYS A 39 9.333 -19.851 0.312 1.00 72.43 H new ATOM 0 HZ3 LYS A 39 8.058 -20.580 -0.538 1.00 72.43 H new ATOM 573 N SER A 40 7.698 -20.098 5.772 1.00 52.00 N ATOM 574 CA SER A 40 8.481 -20.117 6.996 1.00 70.12 C ATOM 575 C SER A 40 8.021 -18.996 7.929 1.00 15.42 C ATOM 576 O SER A 40 7.762 -17.879 7.483 1.00 1.24 O ATOM 577 CB SER A 40 9.975 -19.978 6.696 1.00 72.22 C ATOM 578 OG SER A 40 10.591 -21.241 6.459 1.00 5.03 O ATOM 0 H SER A 40 8.045 -19.463 5.053 1.00 52.00 H new ATOM 0 HA SER A 40 8.324 -21.077 7.487 1.00 70.12 H new ATOM 0 HB2 SER A 40 10.112 -19.338 5.824 1.00 72.22 H new ATOM 0 HB3 SER A 40 10.469 -19.485 7.533 1.00 72.22 H new ATOM 0 HG SER A 40 11.544 -21.110 6.270 1.00 5.03 H new ATOM 584 N THR A 41 7.932 -19.332 9.208 1.00 71.34 N ATOM 585 CA THR A 41 7.507 -18.368 10.208 1.00 41.32 C ATOM 586 C THR A 41 8.387 -17.117 10.150 1.00 33.21 C ATOM 587 O THR A 41 8.006 -16.062 10.654 1.00 34.04 O ATOM 588 CB THR A 41 7.526 -19.061 11.571 1.00 33.34 C ATOM 589 OG1 THR A 41 6.308 -19.801 11.601 1.00 11.44 O ATOM 590 CG2 THR A 41 7.391 -18.074 12.732 1.00 11.05 C ATOM 0 H THR A 41 8.147 -20.259 9.574 1.00 71.34 H new ATOM 0 HA THR A 41 6.491 -18.022 10.017 1.00 41.32 H new ATOM 0 HB THR A 41 8.453 -19.623 11.679 1.00 33.34 H new ATOM 0 HG1 THR A 41 6.079 -20.017 12.529 1.00 11.44 H new ATOM 0 HG21 THR A 41 7.410 -18.618 13.676 1.00 11.05 H new ATOM 0 HG22 THR A 41 8.218 -17.365 12.705 1.00 11.05 H new ATOM 0 HG23 THR A 41 6.448 -17.535 12.643 1.00 11.05 H new ATOM 598 N ASP A 42 9.547 -17.277 9.531 1.00 60.01 N ATOM 599 CA ASP A 42 10.484 -16.174 9.401 1.00 60.13 C ATOM 600 C ASP A 42 9.869 -15.091 8.512 1.00 45.20 C ATOM 601 O ASP A 42 9.629 -13.973 8.966 1.00 72.21 O ATOM 602 CB ASP A 42 11.790 -16.635 8.750 1.00 11.32 C ATOM 603 CG ASP A 42 12.795 -17.282 9.705 1.00 31.02 C ATOM 604 OD1 ASP A 42 13.145 -18.462 9.559 1.00 23.53 O ATOM 605 OD2 ASP A 42 13.229 -16.511 10.644 1.00 32.43 O ATOM 0 H ASP A 42 9.860 -18.154 9.114 1.00 60.01 H new ATOM 0 HA ASP A 42 10.694 -15.790 10.399 1.00 60.13 H new ATOM 0 HB2 ASP A 42 11.553 -17.347 7.959 1.00 11.32 H new ATOM 0 HB3 ASP A 42 12.264 -15.776 8.274 1.00 11.32 H new ATOM 611 N GLU A 43 9.633 -15.460 7.262 1.00 42.23 N ATOM 612 CA GLU A 43 9.051 -14.534 6.305 1.00 4.52 C ATOM 613 C GLU A 43 7.713 -14.005 6.825 1.00 72.22 C ATOM 614 O GLU A 43 7.417 -12.818 6.695 1.00 62.34 O ATOM 615 CB GLU A 43 8.886 -15.193 4.935 1.00 53.34 C ATOM 616 CG GLU A 43 7.568 -15.967 4.854 1.00 44.21 C ATOM 617 CD GLU A 43 7.387 -16.599 3.472 1.00 5.33 C ATOM 618 OE1 GLU A 43 8.221 -17.414 3.049 1.00 12.24 O ATOM 619 OE2 GLU A 43 6.335 -16.216 2.831 1.00 24.13 O ATOM 0 H GLU A 43 9.834 -16.388 6.889 1.00 42.23 H new ATOM 0 HA GLU A 43 9.731 -13.690 6.185 1.00 4.52 H new ATOM 0 HB2 GLU A 43 8.913 -14.432 4.156 1.00 53.34 H new ATOM 0 HB3 GLU A 43 9.721 -15.869 4.750 1.00 53.34 H new ATOM 0 HG2 GLU A 43 7.551 -16.744 5.618 1.00 44.21 H new ATOM 0 HG3 GLU A 43 6.735 -15.296 5.063 1.00 44.21 H new ATOM 627 N VAL A 44 6.939 -14.912 7.403 1.00 60.23 N ATOM 628 CA VAL A 44 5.639 -14.552 7.942 1.00 32.34 C ATOM 629 C VAL A 44 5.766 -13.257 8.746 1.00 51.51 C ATOM 630 O VAL A 44 4.934 -12.359 8.619 1.00 20.34 O ATOM 631 CB VAL A 44 5.074 -15.713 8.765 1.00 42.44 C ATOM 632 CG1 VAL A 44 3.835 -15.277 9.549 1.00 50.31 C ATOM 633 CG2 VAL A 44 4.763 -16.916 7.873 1.00 64.33 C ATOM 0 H VAL A 44 7.188 -15.895 7.510 1.00 60.23 H new ATOM 0 HA VAL A 44 4.929 -14.366 7.136 1.00 32.34 H new ATOM 0 HB VAL A 44 5.835 -16.016 9.484 1.00 42.44 H new ATOM 0 HG11 VAL A 44 3.454 -16.120 10.125 1.00 50.31 H new ATOM 0 HG12 VAL A 44 4.100 -14.465 10.226 1.00 50.31 H new ATOM 0 HG13 VAL A 44 3.067 -14.935 8.855 1.00 50.31 H new ATOM 0 HG21 VAL A 44 4.363 -17.727 8.482 1.00 64.33 H new ATOM 0 HG22 VAL A 44 4.028 -16.631 7.121 1.00 64.33 H new ATOM 0 HG23 VAL A 44 5.676 -17.249 7.380 1.00 64.33 H new ATOM 643 N LYS A 45 6.814 -13.200 9.555 1.00 53.32 N ATOM 644 CA LYS A 45 7.060 -12.029 10.379 1.00 45.42 C ATOM 645 C LYS A 45 7.403 -10.840 9.478 1.00 1.15 C ATOM 646 O LYS A 45 6.889 -9.740 9.674 1.00 14.11 O ATOM 647 CB LYS A 45 8.128 -12.330 11.432 1.00 23.12 C ATOM 648 CG LYS A 45 7.764 -13.577 12.241 1.00 10.31 C ATOM 649 CD LYS A 45 9.021 -14.309 12.715 1.00 32.32 C ATOM 650 CE LYS A 45 8.714 -15.200 13.921 1.00 42.21 C ATOM 651 NZ LYS A 45 8.846 -14.432 15.179 1.00 14.22 N ATOM 0 H LYS A 45 7.502 -13.946 9.657 1.00 53.32 H new ATOM 0 HA LYS A 45 6.163 -11.760 10.936 1.00 45.42 H new ATOM 0 HB2 LYS A 45 9.092 -12.476 10.946 1.00 23.12 H new ATOM 0 HB3 LYS A 45 8.235 -11.476 12.101 1.00 23.12 H new ATOM 0 HG2 LYS A 45 7.158 -13.293 13.101 1.00 10.31 H new ATOM 0 HG3 LYS A 45 7.157 -14.246 11.631 1.00 10.31 H new ATOM 0 HD2 LYS A 45 9.421 -14.916 11.903 1.00 32.32 H new ATOM 0 HD3 LYS A 45 9.790 -13.584 12.980 1.00 32.32 H new ATOM 0 HE2 LYS A 45 7.704 -15.601 13.837 1.00 42.21 H new ATOM 0 HE3 LYS A 45 9.395 -16.051 13.934 1.00 42.21 H new ATOM 0 HZ1 LYS A 45 8.634 -15.051 15.987 1.00 14.22 H new ATOM 0 HZ2 LYS A 45 9.817 -14.070 15.265 1.00 14.22 H new ATOM 0 HZ3 LYS A 45 8.179 -13.634 15.170 1.00 14.22 H new ATOM 664 N LYS A 46 8.270 -11.102 8.511 1.00 12.42 N ATOM 665 CA LYS A 46 8.687 -10.067 7.580 1.00 22.02 C ATOM 666 C LYS A 46 7.480 -9.608 6.760 1.00 11.20 C ATOM 667 O LYS A 46 7.486 -8.513 6.199 1.00 20.04 O ATOM 668 CB LYS A 46 9.860 -10.555 6.728 1.00 62.04 C ATOM 669 CG LYS A 46 10.814 -11.421 7.552 1.00 22.52 C ATOM 670 CD LYS A 46 10.991 -10.853 8.962 1.00 60.42 C ATOM 671 CE LYS A 46 12.405 -11.113 9.484 1.00 24.32 C ATOM 672 NZ LYS A 46 12.590 -10.488 10.813 1.00 21.30 N ATOM 0 H LYS A 46 8.695 -12.016 8.352 1.00 12.42 H new ATOM 0 HA LYS A 46 9.056 -9.195 8.120 1.00 22.02 H new ATOM 0 HB2 LYS A 46 9.484 -11.127 5.880 1.00 62.04 H new ATOM 0 HB3 LYS A 46 10.399 -9.699 6.321 1.00 62.04 H new ATOM 0 HG2 LYS A 46 10.427 -12.438 7.612 1.00 22.52 H new ATOM 0 HG3 LYS A 46 11.782 -11.477 7.054 1.00 22.52 H new ATOM 0 HD2 LYS A 46 10.794 -9.781 8.953 1.00 60.42 H new ATOM 0 HD3 LYS A 46 10.262 -11.306 9.634 1.00 60.42 H new ATOM 0 HE2 LYS A 46 12.582 -12.186 9.553 1.00 24.32 H new ATOM 0 HE3 LYS A 46 13.137 -10.713 8.782 1.00 24.32 H new ATOM 0 HZ1 LYS A 46 13.555 -10.674 11.153 1.00 21.30 H new ATOM 0 HZ2 LYS A 46 12.441 -9.461 10.738 1.00 21.30 H new ATOM 0 HZ3 LYS A 46 11.904 -10.889 11.484 1.00 21.30 H new ATOM 685 N ALA A 47 6.473 -10.468 6.716 1.00 41.10 N ATOM 686 CA ALA A 47 5.261 -10.164 5.974 1.00 64.32 C ATOM 687 C ALA A 47 4.300 -9.384 6.873 1.00 71.33 C ATOM 688 O ALA A 47 3.640 -8.451 6.419 1.00 13.21 O ATOM 689 CB ALA A 47 4.645 -11.463 5.449 1.00 42.41 C ATOM 0 H ALA A 47 6.471 -11.375 7.182 1.00 41.10 H new ATOM 0 HA ALA A 47 5.486 -9.538 5.111 1.00 64.32 H new ATOM 0 HB1 ALA A 47 3.736 -11.236 4.892 1.00 42.41 H new ATOM 0 HB2 ALA A 47 5.357 -11.964 4.793 1.00 42.41 H new ATOM 0 HB3 ALA A 47 4.403 -12.116 6.288 1.00 42.41 H new ATOM 695 N PHE A 48 4.251 -9.796 8.131 1.00 5.21 N ATOM 696 CA PHE A 48 3.382 -9.147 9.098 1.00 73.33 C ATOM 697 C PHE A 48 3.799 -7.692 9.321 1.00 22.45 C ATOM 698 O PHE A 48 3.003 -6.879 9.788 1.00 71.12 O ATOM 699 CB PHE A 48 3.525 -9.915 10.414 1.00 52.35 C ATOM 700 CG PHE A 48 2.983 -9.166 11.633 1.00 53.33 C ATOM 701 CD1 PHE A 48 1.809 -9.552 12.201 1.00 1.43 C ATOM 702 CD2 PHE A 48 3.675 -8.114 12.148 1.00 75.13 C ATOM 703 CE1 PHE A 48 1.306 -8.857 13.333 1.00 40.53 C ATOM 704 CE2 PHE A 48 3.171 -7.419 13.279 1.00 4.01 C ATOM 705 CZ PHE A 48 1.998 -7.805 13.848 1.00 53.13 C ATOM 0 H PHE A 48 4.799 -10.571 8.503 1.00 5.21 H new ATOM 0 HA PHE A 48 2.354 -9.150 8.735 1.00 73.33 H new ATOM 0 HB2 PHE A 48 3.004 -10.868 10.325 1.00 52.35 H new ATOM 0 HB3 PHE A 48 4.579 -10.141 10.578 1.00 52.35 H new ATOM 0 HD1 PHE A 48 1.259 -10.387 11.791 1.00 1.43 H new ATOM 0 HD2 PHE A 48 4.607 -7.808 11.697 1.00 75.13 H new ATOM 0 HE1 PHE A 48 0.374 -9.164 13.785 1.00 40.53 H new ATOM 0 HE2 PHE A 48 3.720 -6.583 13.688 1.00 4.01 H new ATOM 0 HZ PHE A 48 1.616 -7.276 14.709 1.00 53.13 H new ATOM 715 N ALA A 49 5.047 -7.409 8.978 1.00 1.14 N ATOM 716 CA ALA A 49 5.580 -6.066 9.136 1.00 31.30 C ATOM 717 C ALA A 49 5.230 -5.235 7.900 1.00 12.02 C ATOM 718 O ALA A 49 5.495 -4.035 7.860 1.00 53.53 O ATOM 719 CB ALA A 49 7.088 -6.141 9.380 1.00 4.12 C ATOM 0 H ALA A 49 5.704 -8.086 8.591 1.00 1.14 H new ATOM 0 HA ALA A 49 5.134 -5.575 10.001 1.00 31.30 H new ATOM 0 HB1 ALA A 49 7.488 -5.134 9.498 1.00 4.12 H new ATOM 0 HB2 ALA A 49 7.282 -6.717 10.285 1.00 4.12 H new ATOM 0 HB3 ALA A 49 7.570 -6.625 8.531 1.00 4.12 H new ATOM 725 N ILE A 50 4.640 -5.907 6.922 1.00 15.45 N ATOM 726 CA ILE A 50 4.250 -5.245 5.689 1.00 44.03 C ATOM 727 C ILE A 50 2.962 -4.454 5.924 1.00 41.22 C ATOM 728 O ILE A 50 2.904 -3.258 5.642 1.00 12.25 O ATOM 729 CB ILE A 50 4.150 -6.258 4.546 1.00 3.42 C ATOM 730 CG1 ILE A 50 5.444 -7.063 4.412 1.00 4.14 C ATOM 731 CG2 ILE A 50 3.766 -5.569 3.235 1.00 13.22 C ATOM 732 CD1 ILE A 50 6.515 -6.261 3.669 1.00 74.22 C ATOM 0 H ILE A 50 4.423 -6.903 6.959 1.00 15.45 H new ATOM 0 HA ILE A 50 5.013 -4.528 5.384 1.00 44.03 H new ATOM 0 HB ILE A 50 3.354 -6.964 4.784 1.00 3.42 H new ATOM 0 HG12 ILE A 50 5.810 -7.336 5.402 1.00 4.14 H new ATOM 0 HG13 ILE A 50 5.245 -7.992 3.878 1.00 4.14 H new ATOM 0 HG21 ILE A 50 3.702 -6.311 2.439 1.00 13.22 H new ATOM 0 HG22 ILE A 50 2.800 -5.077 3.352 1.00 13.22 H new ATOM 0 HG23 ILE A 50 4.522 -4.827 2.979 1.00 13.22 H new ATOM 0 HD11 ILE A 50 7.424 -6.856 3.588 1.00 74.22 H new ATOM 0 HD12 ILE A 50 6.155 -6.010 2.671 1.00 74.22 H new ATOM 0 HD13 ILE A 50 6.730 -5.344 4.218 1.00 74.22 H new ATOM 744 N ILE A 51 1.961 -5.154 6.437 1.00 1.44 N ATOM 745 CA ILE A 51 0.677 -4.531 6.714 1.00 63.54 C ATOM 746 C ILE A 51 0.865 -3.423 7.751 1.00 4.20 C ATOM 747 O ILE A 51 0.567 -2.260 7.483 1.00 3.10 O ATOM 748 CB ILE A 51 -0.353 -5.587 7.121 1.00 2.21 C ATOM 749 CG1 ILE A 51 -0.206 -6.853 6.274 1.00 5.42 C ATOM 750 CG2 ILE A 51 -1.772 -5.019 7.061 1.00 34.13 C ATOM 751 CD1 ILE A 51 0.177 -8.052 7.143 1.00 30.32 C ATOM 0 H ILE A 51 2.013 -6.146 6.668 1.00 1.44 H new ATOM 0 HA ILE A 51 0.279 -4.061 5.815 1.00 63.54 H new ATOM 0 HB ILE A 51 -0.162 -5.869 8.156 1.00 2.21 H new ATOM 0 HG12 ILE A 51 -1.143 -7.059 5.756 1.00 5.42 H new ATOM 0 HG13 ILE A 51 0.554 -6.697 5.508 1.00 5.42 H new ATOM 0 HG21 ILE A 51 -2.485 -5.789 7.355 1.00 34.13 H new ATOM 0 HG22 ILE A 51 -1.853 -4.171 7.741 1.00 34.13 H new ATOM 0 HG23 ILE A 51 -1.990 -4.691 6.045 1.00 34.13 H new ATOM 0 HD11 ILE A 51 0.275 -8.939 6.517 1.00 30.32 H new ATOM 0 HD12 ILE A 51 1.126 -7.852 7.641 1.00 30.32 H new ATOM 0 HD13 ILE A 51 -0.597 -8.221 7.892 1.00 30.32 H new ATOM 763 N ASP A 52 1.359 -3.822 8.914 1.00 72.10 N ATOM 764 CA ASP A 52 1.590 -2.877 9.993 1.00 42.20 C ATOM 765 C ASP A 52 2.204 -1.597 9.421 1.00 30.23 C ATOM 766 O ASP A 52 3.391 -1.564 9.099 1.00 75.03 O ATOM 767 CB ASP A 52 2.564 -3.448 11.026 1.00 53.40 C ATOM 768 CG ASP A 52 2.069 -4.695 11.761 1.00 14.31 C ATOM 769 OD1 ASP A 52 2.332 -4.877 12.959 1.00 11.41 O ATOM 770 OD2 ASP A 52 1.375 -5.512 11.043 1.00 44.23 O ATOM 0 H ASP A 52 1.606 -4.787 9.132 1.00 72.10 H new ATOM 0 HA ASP A 52 0.633 -2.673 10.474 1.00 42.20 H new ATOM 0 HB2 ASP A 52 3.502 -3.688 10.525 1.00 53.40 H new ATOM 0 HB3 ASP A 52 2.785 -2.675 11.762 1.00 53.40 H new ATOM 776 N GLN A 53 1.368 -0.575 9.313 1.00 1.03 N ATOM 777 CA GLN A 53 1.814 0.704 8.786 1.00 33.32 C ATOM 778 C GLN A 53 2.329 1.594 9.919 1.00 55.43 C ATOM 779 O GLN A 53 3.005 2.588 9.739 1.00 23.50 O ATOM 780 CB GLN A 53 0.693 1.397 8.010 1.00 53.33 C ATOM 781 CG GLN A 53 -0.012 0.416 7.070 1.00 0.43 C ATOM 782 CD GLN A 53 -0.996 1.146 6.154 1.00 73.11 C ATOM 783 OE1 GLN A 53 -0.650 2.072 5.439 1.00 25.03 O ATOM 784 NE2 GLN A 53 -2.240 0.678 6.214 1.00 1.22 N ATOM 0 H GLN A 53 0.384 -0.606 9.581 1.00 1.03 H new ATOM 0 HA GLN A 53 2.634 0.523 8.091 1.00 33.32 H new ATOM 0 HB2 GLN A 53 -0.029 1.820 8.708 1.00 53.33 H new ATOM 0 HB3 GLN A 53 1.104 2.227 7.434 1.00 53.33 H new ATOM 0 HG2 GLN A 53 0.728 -0.112 6.468 1.00 0.43 H new ATOM 0 HG3 GLN A 53 -0.543 -0.336 7.654 1.00 0.43 H new ATOM 0 HE21 GLN A 53 -2.463 -0.100 6.834 1.00 1.22 H new ATOM 0 HE22 GLN A 53 -2.971 1.098 5.640 1.00 1.22 H new ATOM 793 N ASP A 54 1.988 1.213 11.119 1.00 71.44 N ATOM 794 CA ASP A 54 2.433 1.993 12.307 1.00 12.51 C ATOM 795 C ASP A 54 3.345 1.133 13.188 1.00 73.23 C ATOM 796 O ASP A 54 4.063 1.706 14.006 1.00 74.31 O ATOM 797 CB ASP A 54 1.145 2.348 13.052 1.00 24.13 C ATOM 798 CG ASP A 54 0.368 1.069 13.368 1.00 63.12 C ATOM 799 OD1 ASP A 54 0.048 0.348 12.436 1.00 20.05 O ATOM 800 OD2 ASP A 54 0.104 0.831 14.535 1.00 20.10 O ATOM 0 H ASP A 54 1.419 0.393 11.328 1.00 71.44 H new ATOM 0 HA ASP A 54 3.001 2.881 12.032 1.00 12.51 H new ATOM 0 HB2 ASP A 54 1.381 2.880 13.974 1.00 24.13 H new ATOM 0 HB3 ASP A 54 0.534 3.017 12.445 1.00 24.13 H new ATOM 805 N LYS A 55 3.301 -0.180 13.017 1.00 22.31 N ATOM 806 CA LYS A 55 4.131 -1.067 13.816 1.00 54.41 C ATOM 807 C LYS A 55 3.744 -0.929 15.290 1.00 42.11 C ATOM 808 O LYS A 55 4.579 -1.114 16.174 1.00 20.30 O ATOM 809 CB LYS A 55 5.613 -0.805 13.542 1.00 71.04 C ATOM 810 CG LYS A 55 5.836 -0.391 12.086 1.00 65.24 C ATOM 811 CD LYS A 55 5.472 -1.529 11.130 1.00 22.31 C ATOM 812 CE LYS A 55 6.160 -2.832 11.542 1.00 31.42 C ATOM 813 NZ LYS A 55 5.293 -3.610 12.456 1.00 52.52 N ATOM 0 H LYS A 55 2.704 -0.651 12.337 1.00 22.31 H new ATOM 0 HA LYS A 55 3.958 -2.106 13.536 1.00 54.41 H new ATOM 0 HB2 LYS A 55 5.976 -0.021 14.207 1.00 71.04 H new ATOM 0 HB3 LYS A 55 6.191 -1.702 13.761 1.00 71.04 H new ATOM 0 HG2 LYS A 55 5.233 0.488 11.858 1.00 65.24 H new ATOM 0 HG3 LYS A 55 6.879 -0.108 11.940 1.00 65.24 H new ATOM 0 HD2 LYS A 55 4.391 -1.671 11.122 1.00 22.31 H new ATOM 0 HD3 LYS A 55 5.766 -1.264 10.114 1.00 22.31 H new ATOM 0 HE2 LYS A 55 6.389 -3.425 10.656 1.00 31.42 H new ATOM 0 HE3 LYS A 55 7.108 -2.610 12.032 1.00 31.42 H new ATOM 0 HZ1 LYS A 55 5.752 -3.689 13.386 1.00 52.52 H new ATOM 0 HZ2 LYS A 55 4.378 -3.127 12.561 1.00 52.52 H new ATOM 0 HZ3 LYS A 55 5.140 -4.561 12.064 1.00 52.52 H new ATOM 826 N SER A 56 2.478 -0.605 15.509 1.00 44.31 N ATOM 827 CA SER A 56 1.971 -0.440 16.861 1.00 42.04 C ATOM 828 C SER A 56 2.441 -1.600 17.741 1.00 44.31 C ATOM 829 O SER A 56 2.585 -1.445 18.953 1.00 71.33 O ATOM 830 CB SER A 56 0.444 -0.353 16.869 1.00 52.32 C ATOM 831 OG SER A 56 -0.143 -1.160 15.851 1.00 5.03 O ATOM 0 H SER A 56 1.788 -0.452 14.773 1.00 44.31 H new ATOM 0 HA SER A 56 2.364 0.494 17.262 1.00 42.04 H new ATOM 0 HB2 SER A 56 0.068 -0.668 17.843 1.00 52.32 H new ATOM 0 HB3 SER A 56 0.139 0.684 16.730 1.00 52.32 H new ATOM 0 HG SER A 56 -0.317 -0.611 15.058 1.00 5.03 H new ATOM 837 N GLY A 57 2.668 -2.735 17.097 1.00 62.11 N ATOM 838 CA GLY A 57 3.119 -3.920 17.806 1.00 22.51 C ATOM 839 C GLY A 57 2.158 -5.090 17.586 1.00 33.20 C ATOM 840 O GLY A 57 2.489 -6.236 17.888 1.00 53.32 O ATOM 0 H GLY A 57 2.548 -2.859 16.092 1.00 62.11 H new ATOM 0 HA2 GLY A 57 4.117 -4.195 17.464 1.00 22.51 H new ATOM 0 HA3 GLY A 57 3.196 -3.703 18.871 1.00 22.51 H new ATOM 844 N PHE A 58 0.986 -4.761 17.062 1.00 43.02 N ATOM 845 CA PHE A 58 -0.026 -5.770 16.798 1.00 45.12 C ATOM 846 C PHE A 58 -0.951 -5.333 15.661 1.00 75.54 C ATOM 847 O PHE A 58 -0.844 -4.214 15.163 1.00 43.05 O ATOM 848 CB PHE A 58 -0.848 -5.924 18.079 1.00 71.24 C ATOM 849 CG PHE A 58 -0.015 -6.267 19.315 1.00 32.44 C ATOM 850 CD1 PHE A 58 0.686 -7.432 19.361 1.00 2.32 C ATOM 851 CD2 PHE A 58 0.024 -5.408 20.369 1.00 74.22 C ATOM 852 CE1 PHE A 58 1.459 -7.750 20.509 1.00 20.20 C ATOM 853 CE2 PHE A 58 0.796 -5.727 21.517 1.00 45.22 C ATOM 854 CZ PHE A 58 1.498 -6.891 21.563 1.00 71.14 C ATOM 0 H PHE A 58 0.715 -3.810 16.813 1.00 43.02 H new ATOM 0 HA PHE A 58 0.449 -6.706 16.505 1.00 45.12 H new ATOM 0 HB2 PHE A 58 -1.390 -4.997 18.265 1.00 71.24 H new ATOM 0 HB3 PHE A 58 -1.594 -6.704 17.928 1.00 71.24 H new ATOM 0 HD1 PHE A 58 0.655 -8.115 18.525 1.00 2.32 H new ATOM 0 HD2 PHE A 58 -0.532 -4.483 20.333 1.00 74.22 H new ATOM 0 HE1 PHE A 58 2.016 -8.674 20.545 1.00 20.20 H new ATOM 0 HE2 PHE A 58 0.826 -5.045 22.354 1.00 45.22 H new ATOM 0 HZ PHE A 58 2.086 -7.133 22.436 1.00 71.14 H new ATOM 864 N ILE A 59 -1.840 -6.240 15.283 1.00 34.40 N ATOM 865 CA ILE A 59 -2.785 -5.963 14.214 1.00 65.22 C ATOM 866 C ILE A 59 -4.207 -5.993 14.775 1.00 14.44 C ATOM 867 O ILE A 59 -4.861 -7.034 14.765 1.00 74.33 O ATOM 868 CB ILE A 59 -2.565 -6.924 13.043 1.00 14.42 C ATOM 869 CG1 ILE A 59 -1.136 -6.817 12.507 1.00 75.13 C ATOM 870 CG2 ILE A 59 -3.608 -6.698 11.946 1.00 1.22 C ATOM 871 CD1 ILE A 59 -0.903 -7.811 11.367 1.00 54.43 C ATOM 0 H ILE A 59 -1.926 -7.168 15.698 1.00 34.40 H new ATOM 0 HA ILE A 59 -2.623 -4.963 13.811 1.00 65.22 H new ATOM 0 HB ILE A 59 -2.696 -7.943 13.407 1.00 14.42 H new ATOM 0 HG12 ILE A 59 -0.951 -5.803 12.153 1.00 75.13 H new ATOM 0 HG13 ILE A 59 -0.426 -7.008 13.312 1.00 75.13 H new ATOM 0 HG21 ILE A 59 -3.430 -7.393 11.126 1.00 1.22 H new ATOM 0 HG22 ILE A 59 -4.606 -6.865 12.352 1.00 1.22 H new ATOM 0 HG23 ILE A 59 -3.533 -5.675 11.578 1.00 1.22 H new ATOM 0 HD11 ILE A 59 0.120 -7.715 11.004 1.00 54.43 H new ATOM 0 HD12 ILE A 59 -1.065 -8.826 11.730 1.00 54.43 H new ATOM 0 HD13 ILE A 59 -1.598 -7.601 10.554 1.00 54.43 H new ATOM 883 N GLU A 60 -4.645 -4.837 15.253 1.00 50.32 N ATOM 884 CA GLU A 60 -5.978 -4.717 15.818 1.00 54.14 C ATOM 885 C GLU A 60 -7.034 -4.849 14.718 1.00 14.13 C ATOM 886 O GLU A 60 -6.733 -4.675 13.539 1.00 65.14 O ATOM 887 CB GLU A 60 -6.137 -3.397 16.574 1.00 2.32 C ATOM 888 CG GLU A 60 -5.056 -3.247 17.647 1.00 14.42 C ATOM 889 CD GLU A 60 -3.830 -2.519 17.093 1.00 53.55 C ATOM 890 OE1 GLU A 60 -3.967 -1.439 16.498 1.00 4.11 O ATOM 891 OE2 GLU A 60 -2.704 -3.113 17.298 1.00 1.24 O ATOM 0 H GLU A 60 -4.100 -3.975 15.260 1.00 50.32 H new ATOM 0 HA GLU A 60 -6.122 -5.527 16.533 1.00 54.14 H new ATOM 0 HB2 GLU A 60 -6.078 -2.563 15.874 1.00 2.32 H new ATOM 0 HB3 GLU A 60 -7.123 -3.355 17.037 1.00 2.32 H new ATOM 0 HG2 GLU A 60 -5.457 -2.696 18.498 1.00 14.42 H new ATOM 0 HG3 GLU A 60 -4.764 -4.231 18.014 1.00 14.42 H new ATOM 899 N GLU A 61 -8.251 -5.155 15.144 1.00 20.23 N ATOM 900 CA GLU A 61 -9.353 -5.312 14.211 1.00 73.52 C ATOM 901 C GLU A 61 -9.277 -4.248 13.115 1.00 43.32 C ATOM 902 O GLU A 61 -9.631 -4.508 11.966 1.00 44.12 O ATOM 903 CB GLU A 61 -10.699 -5.256 14.937 1.00 61.22 C ATOM 904 CG GLU A 61 -11.807 -5.880 14.086 1.00 33.03 C ATOM 905 CD GLU A 61 -13.188 -5.541 14.651 1.00 32.44 C ATOM 906 OE1 GLU A 61 -13.331 -4.555 15.389 1.00 54.22 O ATOM 907 OE2 GLU A 61 -14.134 -6.345 14.298 1.00 3.24 O ATOM 0 H GLU A 61 -8.498 -5.298 16.123 1.00 20.23 H new ATOM 0 HA GLU A 61 -9.270 -6.293 13.744 1.00 73.52 H new ATOM 0 HB2 GLU A 61 -10.625 -5.783 15.888 1.00 61.22 H new ATOM 0 HB3 GLU A 61 -10.950 -4.220 15.165 1.00 61.22 H new ATOM 0 HG2 GLU A 61 -11.731 -5.518 13.061 1.00 33.03 H new ATOM 0 HG3 GLU A 61 -11.679 -6.962 14.052 1.00 33.03 H new ATOM 915 N GLU A 62 -8.812 -3.071 13.509 1.00 54.03 N ATOM 916 CA GLU A 62 -8.685 -1.966 12.574 1.00 1.30 C ATOM 917 C GLU A 62 -7.724 -2.336 11.442 1.00 12.22 C ATOM 918 O GLU A 62 -8.091 -2.281 10.269 1.00 23.03 O ATOM 919 CB GLU A 62 -8.226 -0.693 13.289 1.00 63.42 C ATOM 920 CG GLU A 62 -9.420 0.082 13.848 1.00 2.55 C ATOM 921 CD GLU A 62 -9.597 1.416 13.120 1.00 1.42 C ATOM 922 OE1 GLU A 62 -8.615 2.143 12.910 1.00 4.45 O ATOM 923 OE2 GLU A 62 -10.807 1.688 12.767 1.00 54.03 O ATOM 0 H GLU A 62 -8.519 -2.859 14.463 1.00 54.03 H new ATOM 0 HA GLU A 62 -9.665 -1.767 12.141 1.00 1.30 H new ATOM 0 HB2 GLU A 62 -7.545 -0.952 14.099 1.00 63.42 H new ATOM 0 HB3 GLU A 62 -7.671 -0.062 12.595 1.00 63.42 H new ATOM 0 HG2 GLU A 62 -10.326 -0.515 13.746 1.00 2.55 H new ATOM 0 HG3 GLU A 62 -9.275 0.261 14.913 1.00 2.55 H new ATOM 931 N GLU A 63 -6.513 -2.705 11.834 1.00 53.54 N ATOM 932 CA GLU A 63 -5.497 -3.084 10.866 1.00 13.44 C ATOM 933 C GLU A 63 -5.910 -4.364 10.137 1.00 2.23 C ATOM 934 O GLU A 63 -5.529 -4.578 8.988 1.00 43.14 O ATOM 935 CB GLU A 63 -4.134 -3.252 11.541 1.00 52.54 C ATOM 936 CG GLU A 63 -3.592 -1.905 12.024 1.00 31.15 C ATOM 937 CD GLU A 63 -2.129 -2.026 12.454 1.00 44.40 C ATOM 938 OE1 GLU A 63 -1.770 -1.350 13.443 1.00 60.41 O ATOM 939 OE2 GLU A 63 -1.402 -2.790 11.784 1.00 65.33 O ATOM 0 H GLU A 63 -6.213 -2.750 12.808 1.00 53.54 H new ATOM 0 HA GLU A 63 -5.406 -2.284 10.131 1.00 13.44 H new ATOM 0 HB2 GLU A 63 -4.224 -3.936 12.385 1.00 52.54 H new ATOM 0 HB3 GLU A 63 -3.430 -3.701 10.840 1.00 52.54 H new ATOM 0 HG2 GLU A 63 -3.681 -1.166 11.227 1.00 31.15 H new ATOM 0 HG3 GLU A 63 -4.192 -1.546 12.860 1.00 31.15 H new ATOM 946 N LEU A 64 -6.683 -5.182 10.836 1.00 13.30 N ATOM 947 CA LEU A 64 -7.152 -6.435 10.269 1.00 23.15 C ATOM 948 C LEU A 64 -7.804 -6.164 8.912 1.00 22.11 C ATOM 949 O LEU A 64 -7.342 -6.664 7.887 1.00 14.51 O ATOM 950 CB LEU A 64 -8.067 -7.161 11.258 1.00 51.24 C ATOM 951 CG LEU A 64 -7.396 -8.206 12.151 1.00 64.15 C ATOM 952 CD1 LEU A 64 -8.430 -8.948 13.000 1.00 42.43 C ATOM 953 CD2 LEU A 64 -6.539 -9.166 11.322 1.00 34.22 C ATOM 0 H LEU A 64 -6.996 -5.002 11.790 1.00 13.30 H new ATOM 0 HA LEU A 64 -6.315 -7.110 10.091 1.00 23.15 H new ATOM 0 HB2 LEU A 64 -8.541 -6.416 11.897 1.00 51.24 H new ATOM 0 HB3 LEU A 64 -8.862 -7.650 10.695 1.00 51.24 H new ATOM 0 HG LEU A 64 -6.727 -7.689 12.839 1.00 64.15 H new ATOM 0 HD11 LEU A 64 -7.926 -9.685 13.625 1.00 42.43 H new ATOM 0 HD12 LEU A 64 -8.959 -8.236 13.633 1.00 42.43 H new ATOM 0 HD13 LEU A 64 -9.142 -9.452 12.347 1.00 42.43 H new ATOM 0 HD21 LEU A 64 -6.073 -9.899 11.981 1.00 34.22 H new ATOM 0 HD22 LEU A 64 -7.168 -9.680 10.595 1.00 34.22 H new ATOM 0 HD23 LEU A 64 -5.765 -8.604 10.799 1.00 34.22 H new ATOM 965 N LYS A 65 -8.867 -5.374 8.949 1.00 4.13 N ATOM 966 CA LYS A 65 -9.587 -5.031 7.735 1.00 43.41 C ATOM 967 C LYS A 65 -8.623 -4.377 6.743 1.00 44.21 C ATOM 968 O LYS A 65 -8.910 -4.302 5.549 1.00 34.44 O ATOM 969 CB LYS A 65 -10.809 -4.171 8.062 1.00 53.31 C ATOM 970 CG LYS A 65 -10.390 -2.823 8.652 1.00 44.20 C ATOM 971 CD LYS A 65 -11.526 -1.803 8.552 1.00 3.11 C ATOM 972 CE LYS A 65 -12.365 -1.790 9.831 1.00 30.22 C ATOM 973 NZ LYS A 65 -11.656 -1.066 10.909 1.00 4.15 N ATOM 0 H LYS A 65 -9.247 -4.962 9.801 1.00 4.13 H new ATOM 0 HA LYS A 65 -9.977 -5.930 7.257 1.00 43.41 H new ATOM 0 HB2 LYS A 65 -11.397 -4.009 7.158 1.00 53.31 H new ATOM 0 HB3 LYS A 65 -11.450 -4.698 8.769 1.00 53.31 H new ATOM 0 HG2 LYS A 65 -10.104 -2.952 9.696 1.00 44.20 H new ATOM 0 HG3 LYS A 65 -9.513 -2.448 8.125 1.00 44.20 H new ATOM 0 HD2 LYS A 65 -11.113 -0.810 8.373 1.00 3.11 H new ATOM 0 HD3 LYS A 65 -12.161 -2.043 7.699 1.00 3.11 H new ATOM 0 HE2 LYS A 65 -13.327 -1.315 9.637 1.00 30.22 H new ATOM 0 HE3 LYS A 65 -12.573 -2.812 10.147 1.00 30.22 H new ATOM 0 HZ1 LYS A 65 -11.619 -1.661 11.761 1.00 4.15 H new ATOM 0 HZ2 LYS A 65 -10.688 -0.844 10.600 1.00 4.15 H new ATOM 0 HZ3 LYS A 65 -12.162 -0.183 11.125 1.00 4.15 H new ATOM 986 N LEU A 66 -7.498 -3.920 7.274 1.00 40.23 N ATOM 987 CA LEU A 66 -6.490 -3.275 6.450 1.00 43.31 C ATOM 988 C LEU A 66 -5.473 -4.319 5.984 1.00 34.30 C ATOM 989 O LEU A 66 -4.314 -3.994 5.733 1.00 51.20 O ATOM 990 CB LEU A 66 -5.862 -2.096 7.196 1.00 2.13 C ATOM 991 CG LEU A 66 -6.812 -0.957 7.572 1.00 33.45 C ATOM 992 CD1 LEU A 66 -6.036 0.324 7.885 1.00 35.44 C ATOM 993 CD2 LEU A 66 -7.864 -0.739 6.483 1.00 12.23 C ATOM 0 H LEU A 66 -7.263 -3.984 8.264 1.00 40.23 H new ATOM 0 HA LEU A 66 -6.945 -2.851 5.555 1.00 43.31 H new ATOM 0 HB2 LEU A 66 -5.400 -2.473 8.108 1.00 2.13 H new ATOM 0 HB3 LEU A 66 -5.062 -1.686 6.580 1.00 2.13 H new ATOM 0 HG LEU A 66 -7.343 -1.241 8.480 1.00 33.45 H new ATOM 0 HD11 LEU A 66 -6.735 1.118 8.149 1.00 35.44 H new ATOM 0 HD12 LEU A 66 -5.359 0.144 8.720 1.00 35.44 H new ATOM 0 HD13 LEU A 66 -5.461 0.624 7.009 1.00 35.44 H new ATOM 0 HD21 LEU A 66 -8.526 0.076 6.775 1.00 12.23 H new ATOM 0 HD22 LEU A 66 -7.370 -0.486 5.545 1.00 12.23 H new ATOM 0 HD23 LEU A 66 -8.447 -1.651 6.352 1.00 12.23 H new ATOM 1005 N PHE A 67 -5.945 -5.553 5.883 1.00 71.24 N ATOM 1006 CA PHE A 67 -5.092 -6.647 5.451 1.00 20.53 C ATOM 1007 C PHE A 67 -4.901 -6.628 3.933 1.00 20.44 C ATOM 1008 O PHE A 67 -4.277 -7.527 3.371 1.00 33.43 O ATOM 1009 CB PHE A 67 -5.796 -7.947 5.849 1.00 43.54 C ATOM 1010 CG PHE A 67 -5.093 -9.212 5.352 1.00 0.24 C ATOM 1011 CD1 PHE A 67 -5.594 -9.895 4.288 1.00 21.15 C ATOM 1012 CD2 PHE A 67 -3.967 -9.653 5.975 1.00 35.22 C ATOM 1013 CE1 PHE A 67 -4.942 -11.069 3.828 1.00 23.41 C ATOM 1014 CE2 PHE A 67 -3.315 -10.828 5.515 1.00 53.42 C ATOM 1015 CZ PHE A 67 -3.816 -11.511 4.451 1.00 52.11 C ATOM 0 H PHE A 67 -6.907 -5.819 6.093 1.00 71.24 H new ATOM 0 HA PHE A 67 -4.109 -6.558 5.914 1.00 20.53 H new ATOM 0 HB2 PHE A 67 -5.872 -7.989 6.936 1.00 43.54 H new ATOM 0 HB3 PHE A 67 -6.813 -7.932 5.458 1.00 43.54 H new ATOM 0 HD1 PHE A 67 -6.488 -9.544 3.793 1.00 21.15 H new ATOM 0 HD2 PHE A 67 -3.569 -9.110 6.819 1.00 35.22 H new ATOM 0 HE1 PHE A 67 -5.340 -11.612 2.983 1.00 23.41 H new ATOM 0 HE2 PHE A 67 -2.422 -11.179 6.010 1.00 53.42 H new ATOM 0 HZ PHE A 67 -3.320 -12.404 4.101 1.00 52.11 H new ATOM 1025 N LEU A 68 -5.449 -5.594 3.313 1.00 73.10 N ATOM 1026 CA LEU A 68 -5.347 -5.446 1.871 1.00 31.21 C ATOM 1027 C LEU A 68 -4.581 -4.162 1.548 1.00 53.34 C ATOM 1028 O LEU A 68 -4.222 -3.922 0.396 1.00 72.32 O ATOM 1029 CB LEU A 68 -6.733 -5.515 1.226 1.00 63.21 C ATOM 1030 CG LEU A 68 -7.336 -6.914 1.081 1.00 14.44 C ATOM 1031 CD1 LEU A 68 -8.577 -6.886 0.186 1.00 4.50 C ATOM 1032 CD2 LEU A 68 -6.291 -7.913 0.582 1.00 73.12 C ATOM 0 H LEU A 68 -5.965 -4.850 3.783 1.00 73.10 H new ATOM 0 HA LEU A 68 -4.780 -6.272 1.442 1.00 31.21 H new ATOM 0 HB2 LEU A 68 -7.417 -4.905 1.816 1.00 63.21 H new ATOM 0 HB3 LEU A 68 -6.675 -5.062 0.236 1.00 63.21 H new ATOM 0 HG LEU A 68 -7.658 -7.251 2.066 1.00 14.44 H new ATOM 0 HD11 LEU A 68 -8.986 -7.893 0.099 1.00 4.50 H new ATOM 0 HD12 LEU A 68 -9.326 -6.226 0.623 1.00 4.50 H new ATOM 0 HD13 LEU A 68 -8.304 -6.519 -0.803 1.00 4.50 H new ATOM 0 HD21 LEU A 68 -6.746 -8.899 0.488 1.00 73.12 H new ATOM 0 HD22 LEU A 68 -5.916 -7.592 -0.390 1.00 73.12 H new ATOM 0 HD23 LEU A 68 -5.465 -7.961 1.292 1.00 73.12 H new ATOM 1044 N GLN A 69 -4.354 -3.369 2.585 1.00 60.14 N ATOM 1045 CA GLN A 69 -3.637 -2.115 2.425 1.00 34.13 C ATOM 1046 C GLN A 69 -2.130 -2.344 2.557 1.00 34.52 C ATOM 1047 O GLN A 69 -1.344 -1.405 2.445 1.00 61.53 O ATOM 1048 CB GLN A 69 -4.124 -1.074 3.435 1.00 41.53 C ATOM 1049 CG GLN A 69 -5.424 -0.419 2.964 1.00 50.24 C ATOM 1050 CD GLN A 69 -5.840 0.714 3.905 1.00 70.52 C ATOM 1051 OE1 GLN A 69 -5.167 1.031 4.872 1.00 62.15 O ATOM 1052 NE2 GLN A 69 -6.984 1.303 3.569 1.00 10.12 N ATOM 0 H GLN A 69 -4.654 -3.570 3.539 1.00 60.14 H new ATOM 0 HA GLN A 69 -3.839 -1.728 1.426 1.00 34.13 H new ATOM 0 HB2 GLN A 69 -4.282 -1.548 4.404 1.00 41.53 H new ATOM 0 HB3 GLN A 69 -3.358 -0.311 3.574 1.00 41.53 H new ATOM 0 HG2 GLN A 69 -5.294 -0.029 1.955 1.00 50.24 H new ATOM 0 HG3 GLN A 69 -6.216 -1.167 2.917 1.00 50.24 H new ATOM 0 HE21 GLN A 69 -7.497 0.988 2.746 1.00 10.12 H new ATOM 0 HE22 GLN A 69 -7.348 2.070 4.134 1.00 10.12 H new ATOM 1061 N ASN A 70 -1.773 -3.598 2.794 1.00 74.21 N ATOM 1062 CA ASN A 70 -0.375 -3.963 2.942 1.00 4.33 C ATOM 1063 C ASN A 70 0.243 -4.173 1.558 1.00 12.13 C ATOM 1064 O ASN A 70 1.343 -3.695 1.287 1.00 63.44 O ATOM 1065 CB ASN A 70 -0.226 -5.266 3.729 1.00 23.23 C ATOM 1066 CG ASN A 70 -0.679 -6.466 2.894 1.00 4.43 C ATOM 1067 OD1 ASN A 70 0.105 -7.123 2.228 1.00 12.45 O ATOM 1068 ND2 ASN A 70 -1.983 -6.713 2.967 1.00 72.44 N ATOM 0 H ASN A 70 -2.428 -4.374 2.887 1.00 74.21 H new ATOM 0 HA ASN A 70 0.128 -3.158 3.478 1.00 4.33 H new ATOM 0 HB2 ASN A 70 0.814 -5.398 4.027 1.00 23.23 H new ATOM 0 HB3 ASN A 70 -0.816 -5.212 4.644 1.00 23.23 H new ATOM 0 HD21 ASN A 70 -2.384 -7.493 2.446 1.00 72.44 H new ATOM 0 HD22 ASN A 70 -2.582 -6.123 3.544 1.00 72.44 H new ATOM 1075 N PHE A 71 -0.493 -4.888 0.720 1.00 42.12 N ATOM 1076 CA PHE A 71 -0.031 -5.167 -0.629 1.00 73.24 C ATOM 1077 C PHE A 71 -0.345 -4.001 -1.569 1.00 1.24 C ATOM 1078 O PHE A 71 -0.122 -4.093 -2.775 1.00 33.32 O ATOM 1079 CB PHE A 71 -0.782 -6.410 -1.111 1.00 33.23 C ATOM 1080 CG PHE A 71 -0.601 -7.634 -0.211 1.00 21.23 C ATOM 1081 CD1 PHE A 71 -1.678 -8.189 0.408 1.00 43.11 C ATOM 1082 CD2 PHE A 71 0.637 -8.167 -0.029 1.00 71.33 C ATOM 1083 CE1 PHE A 71 -1.509 -9.325 1.243 1.00 13.22 C ATOM 1084 CE2 PHE A 71 0.805 -9.303 0.806 1.00 23.21 C ATOM 1085 CZ PHE A 71 -0.271 -9.858 1.425 1.00 74.03 C ATOM 0 H PHE A 71 -1.405 -5.282 0.949 1.00 42.12 H new ATOM 0 HA PHE A 71 1.049 -5.318 -0.628 1.00 73.24 H new ATOM 0 HB2 PHE A 71 -1.844 -6.176 -1.180 1.00 33.23 H new ATOM 0 HB3 PHE A 71 -0.445 -6.658 -2.117 1.00 33.23 H new ATOM 0 HD1 PHE A 71 -2.661 -7.766 0.264 1.00 43.11 H new ATOM 0 HD2 PHE A 71 1.492 -7.726 -0.520 1.00 71.33 H new ATOM 0 HE1 PHE A 71 -2.364 -9.766 1.734 1.00 13.22 H new ATOM 0 HE2 PHE A 71 1.788 -9.727 0.950 1.00 23.21 H new ATOM 0 HZ PHE A 71 -0.143 -10.722 2.061 1.00 74.03 H new ATOM 1095 N LYS A 72 -0.857 -2.930 -0.980 1.00 2.11 N ATOM 1096 CA LYS A 72 -1.203 -1.747 -1.749 1.00 53.20 C ATOM 1097 C LYS A 72 -1.658 -0.639 -0.796 1.00 63.41 C ATOM 1098 O LYS A 72 -2.216 -0.918 0.264 1.00 75.04 O ATOM 1099 CB LYS A 72 -2.233 -2.091 -2.827 1.00 62.12 C ATOM 1100 CG LYS A 72 -2.430 -0.919 -3.791 1.00 33.30 C ATOM 1101 CD LYS A 72 -1.477 -1.023 -4.983 1.00 61.11 C ATOM 1102 CE LYS A 72 -0.042 -0.695 -4.567 1.00 45.14 C ATOM 1103 NZ LYS A 72 -0.025 0.431 -3.606 1.00 62.45 N ATOM 0 H LYS A 72 -1.040 -2.857 0.021 1.00 2.11 H new ATOM 0 HA LYS A 72 -0.330 -1.371 -2.282 1.00 53.20 H new ATOM 0 HB2 LYS A 72 -1.905 -2.971 -3.381 1.00 62.12 H new ATOM 0 HB3 LYS A 72 -3.184 -2.345 -2.359 1.00 62.12 H new ATOM 0 HG2 LYS A 72 -3.461 -0.904 -4.145 1.00 33.30 H new ATOM 0 HG3 LYS A 72 -2.260 0.021 -3.266 1.00 33.30 H new ATOM 0 HD2 LYS A 72 -1.518 -2.030 -5.399 1.00 61.11 H new ATOM 0 HD3 LYS A 72 -1.797 -0.340 -5.770 1.00 61.11 H new ATOM 0 HE2 LYS A 72 0.422 -1.572 -4.116 1.00 45.14 H new ATOM 0 HE3 LYS A 72 0.548 -0.439 -5.447 1.00 45.14 H new ATOM 0 HZ1 LYS A 72 0.820 1.014 -3.769 1.00 62.45 H new ATOM 0 HZ2 LYS A 72 -0.877 1.012 -3.737 1.00 62.45 H new ATOM 0 HZ3 LYS A 72 -0.006 0.059 -2.635 1.00 62.45 H new ATOM 1116 N ALA A 73 -1.401 0.594 -1.208 1.00 30.44 N ATOM 1117 CA ALA A 73 -1.777 1.744 -0.404 1.00 3.32 C ATOM 1118 C ALA A 73 -3.057 2.361 -0.971 1.00 2.10 C ATOM 1119 O ALA A 73 -3.339 3.536 -0.741 1.00 44.22 O ATOM 1120 CB ALA A 73 -0.617 2.741 -0.365 1.00 64.03 C ATOM 0 H ALA A 73 -0.937 0.821 -2.088 1.00 30.44 H new ATOM 0 HA ALA A 73 -1.983 1.443 0.623 1.00 3.32 H new ATOM 0 HB1 ALA A 73 -0.899 3.604 0.238 1.00 64.03 H new ATOM 0 HB2 ALA A 73 0.259 2.263 0.073 1.00 64.03 H new ATOM 0 HB3 ALA A 73 -0.384 3.067 -1.378 1.00 64.03 H new ATOM 1126 N GLY A 74 -3.798 1.541 -1.701 1.00 61.31 N ATOM 1127 CA GLY A 74 -5.041 1.991 -2.303 1.00 34.10 C ATOM 1128 C GLY A 74 -6.060 0.852 -2.374 1.00 33.41 C ATOM 1129 O GLY A 74 -7.031 0.928 -3.126 1.00 1.04 O ATOM 0 H GLY A 74 -3.561 0.567 -1.889 1.00 61.31 H new ATOM 0 HA2 GLY A 74 -5.453 2.816 -1.722 1.00 34.10 H new ATOM 0 HA3 GLY A 74 -4.846 2.373 -3.305 1.00 34.10 H new ATOM 1133 N ALA A 75 -5.804 -0.178 -1.581 1.00 35.51 N ATOM 1134 CA ALA A 75 -6.687 -1.332 -1.544 1.00 72.13 C ATOM 1135 C ALA A 75 -7.949 -0.978 -0.755 1.00 31.33 C ATOM 1136 O ALA A 75 -8.146 0.176 -0.377 1.00 75.44 O ATOM 1137 CB ALA A 75 -5.941 -2.527 -0.947 1.00 75.00 C ATOM 0 H ALA A 75 -4.998 -0.238 -0.959 1.00 35.51 H new ATOM 0 HA ALA A 75 -6.996 -1.611 -2.551 1.00 72.13 H new ATOM 0 HB1 ALA A 75 -6.603 -3.392 -0.919 1.00 75.00 H new ATOM 0 HB2 ALA A 75 -5.070 -2.756 -1.561 1.00 75.00 H new ATOM 0 HB3 ALA A 75 -5.617 -2.285 0.065 1.00 75.00 H new ATOM 1143 N ARG A 76 -8.771 -1.993 -0.528 1.00 45.20 N ATOM 1144 CA ARG A 76 -10.008 -1.803 0.210 1.00 61.51 C ATOM 1145 C ARG A 76 -9.906 -2.451 1.592 1.00 22.04 C ATOM 1146 O ARG A 76 -8.942 -3.160 1.880 1.00 14.53 O ATOM 1147 CB ARG A 76 -11.196 -2.407 -0.542 1.00 65.41 C ATOM 1148 CG ARG A 76 -11.035 -3.921 -0.695 1.00 35.44 C ATOM 1149 CD ARG A 76 -12.399 -4.615 -0.740 1.00 45.04 C ATOM 1150 NE ARG A 76 -12.218 -6.082 -0.806 1.00 63.42 N ATOM 1151 CZ ARG A 76 -13.144 -6.978 -0.403 1.00 51.14 C ATOM 1152 NH1 ARG A 76 -12.877 -8.266 -0.508 1.00 25.35 N ATOM 1153 NH2 ARG A 76 -14.326 -6.562 0.099 1.00 73.14 N ATOM 0 H ARG A 76 -8.604 -2.949 -0.842 1.00 45.20 H new ATOM 0 HA ARG A 76 -10.168 -0.730 0.318 1.00 61.51 H new ATOM 0 HB2 ARG A 76 -12.120 -2.188 -0.006 1.00 65.41 H new ATOM 0 HB3 ARG A 76 -11.281 -1.945 -1.526 1.00 65.41 H new ATOM 0 HG2 ARG A 76 -10.480 -4.141 -1.607 1.00 35.44 H new ATOM 0 HG3 ARG A 76 -10.450 -4.314 0.136 1.00 35.44 H new ATOM 0 HD2 ARG A 76 -12.980 -4.351 0.144 1.00 45.04 H new ATOM 0 HD3 ARG A 76 -12.963 -4.270 -1.607 1.00 45.04 H new ATOM 0 HE ARG A 76 -11.338 -6.439 -1.179 1.00 63.42 H new ATOM 0 HH11 ARG A 76 -11.982 -8.572 -0.889 1.00 25.35 H new ATOM 0 HH12 ARG A 76 -13.566 -8.956 -0.208 1.00 25.35 H new ATOM 0 HH21 ARG A 76 -14.525 -5.565 0.176 1.00 73.14 H new ATOM 0 HH22 ARG A 76 -15.020 -7.245 0.401 1.00 73.14 H new ATOM 1166 N ALA A 77 -10.913 -2.185 2.411 1.00 2.32 N ATOM 1167 CA ALA A 77 -10.948 -2.733 3.756 1.00 15.35 C ATOM 1168 C ALA A 77 -12.028 -3.814 3.834 1.00 54.33 C ATOM 1169 O ALA A 77 -13.184 -3.568 3.490 1.00 44.10 O ATOM 1170 CB ALA A 77 -11.181 -1.603 4.762 1.00 72.21 C ATOM 0 H ALA A 77 -11.711 -1.597 2.169 1.00 2.32 H new ATOM 0 HA ALA A 77 -9.995 -3.200 4.005 1.00 15.35 H new ATOM 0 HB1 ALA A 77 -11.207 -2.014 5.771 1.00 72.21 H new ATOM 0 HB2 ALA A 77 -10.372 -0.877 4.687 1.00 72.21 H new ATOM 0 HB3 ALA A 77 -12.130 -1.113 4.545 1.00 72.21 H new ATOM 1176 N LEU A 78 -11.614 -4.988 4.287 1.00 11.31 N ATOM 1177 CA LEU A 78 -12.532 -6.107 4.414 1.00 64.22 C ATOM 1178 C LEU A 78 -13.767 -5.662 5.199 1.00 22.34 C ATOM 1179 O LEU A 78 -13.686 -4.758 6.030 1.00 75.25 O ATOM 1180 CB LEU A 78 -11.819 -7.318 5.021 1.00 15.52 C ATOM 1181 CG LEU A 78 -10.653 -7.886 4.211 1.00 41.24 C ATOM 1182 CD1 LEU A 78 -10.965 -7.866 2.713 1.00 43.10 C ATOM 1183 CD2 LEU A 78 -9.351 -7.151 4.535 1.00 64.02 C ATOM 0 H LEU A 78 -10.655 -5.189 4.571 1.00 11.31 H new ATOM 0 HA LEU A 78 -12.878 -6.429 3.432 1.00 64.22 H new ATOM 0 HB2 LEU A 78 -11.448 -7.039 6.007 1.00 15.52 H new ATOM 0 HB3 LEU A 78 -12.553 -8.110 5.168 1.00 15.52 H new ATOM 0 HG LEU A 78 -10.514 -8.929 4.497 1.00 41.24 H new ATOM 0 HD11 LEU A 78 -10.120 -8.275 2.160 1.00 43.10 H new ATOM 0 HD12 LEU A 78 -11.852 -8.469 2.518 1.00 43.10 H new ATOM 0 HD13 LEU A 78 -11.146 -6.840 2.393 1.00 43.10 H new ATOM 0 HD21 LEU A 78 -8.538 -7.574 3.946 1.00 64.02 H new ATOM 0 HD22 LEU A 78 -9.461 -6.093 4.295 1.00 64.02 H new ATOM 0 HD23 LEU A 78 -9.126 -7.261 5.596 1.00 64.02 H new ATOM 1195 N SER A 79 -14.881 -6.318 4.909 1.00 20.05 N ATOM 1196 CA SER A 79 -16.131 -6.001 5.578 1.00 34.44 C ATOM 1197 C SER A 79 -16.028 -6.338 7.067 1.00 33.43 C ATOM 1198 O SER A 79 -15.080 -6.995 7.495 1.00 40.04 O ATOM 1199 CB SER A 79 -17.302 -6.755 4.943 1.00 2.25 C ATOM 1200 OG SER A 79 -18.555 -6.355 5.493 1.00 63.34 O ATOM 0 H SER A 79 -14.944 -7.067 4.220 1.00 20.05 H new ATOM 0 HA SER A 79 -16.318 -4.933 5.466 1.00 34.44 H new ATOM 0 HB2 SER A 79 -17.306 -6.580 3.867 1.00 2.25 H new ATOM 0 HB3 SER A 79 -17.166 -7.826 5.091 1.00 2.25 H new ATOM 0 HG SER A 79 -19.277 -6.857 5.061 1.00 63.34 H new ATOM 1206 N ASP A 80 -17.017 -5.874 7.816 1.00 14.43 N ATOM 1207 CA ASP A 80 -17.050 -6.117 9.248 1.00 20.44 C ATOM 1208 C ASP A 80 -17.165 -7.622 9.503 1.00 44.23 C ATOM 1209 O ASP A 80 -16.761 -8.109 10.558 1.00 71.25 O ATOM 1210 CB ASP A 80 -18.257 -5.435 9.896 1.00 64.21 C ATOM 1211 CG ASP A 80 -19.584 -5.637 9.162 1.00 11.15 C ATOM 1212 OD1 ASP A 80 -19.663 -6.390 8.181 1.00 53.05 O ATOM 1213 OD2 ASP A 80 -20.580 -4.973 9.644 1.00 4.05 O ATOM 0 H ASP A 80 -17.802 -5.331 7.458 1.00 14.43 H new ATOM 0 HA ASP A 80 -16.134 -5.714 9.679 1.00 20.44 H new ATOM 0 HB2 ASP A 80 -18.362 -5.807 10.915 1.00 64.21 H new ATOM 0 HB3 ASP A 80 -18.057 -4.366 9.966 1.00 64.21 H new ATOM 1219 N ALA A 81 -17.717 -8.316 8.518 1.00 3.42 N ATOM 1220 CA ALA A 81 -17.889 -9.755 8.622 1.00 15.41 C ATOM 1221 C ALA A 81 -16.625 -10.453 8.119 1.00 62.42 C ATOM 1222 O ALA A 81 -16.204 -11.464 8.681 1.00 51.54 O ATOM 1223 CB ALA A 81 -19.138 -10.177 7.844 1.00 4.52 C ATOM 0 H ALA A 81 -18.051 -7.908 7.645 1.00 3.42 H new ATOM 0 HA ALA A 81 -18.037 -10.050 9.661 1.00 15.41 H new ATOM 0 HB1 ALA A 81 -19.268 -11.256 7.922 1.00 4.52 H new ATOM 0 HB2 ALA A 81 -20.012 -9.676 8.260 1.00 4.52 H new ATOM 0 HB3 ALA A 81 -19.025 -9.900 6.796 1.00 4.52 H new ATOM 1229 N GLU A 82 -16.054 -9.888 7.065 1.00 11.24 N ATOM 1230 CA GLU A 82 -14.846 -10.444 6.480 1.00 0.11 C ATOM 1231 C GLU A 82 -13.698 -10.400 7.490 1.00 2.14 C ATOM 1232 O GLU A 82 -12.973 -11.380 7.654 1.00 3.13 O ATOM 1233 CB GLU A 82 -14.472 -9.708 5.192 1.00 4.43 C ATOM 1234 CG GLU A 82 -15.379 -10.130 4.035 1.00 14.14 C ATOM 1235 CD GLU A 82 -15.159 -9.238 2.812 1.00 55.30 C ATOM 1236 OE1 GLU A 82 -16.087 -8.536 2.382 1.00 42.12 O ATOM 1237 OE2 GLU A 82 -13.974 -9.290 2.305 1.00 12.55 O ATOM 0 H GLU A 82 -16.406 -9.051 6.601 1.00 11.24 H new ATOM 0 HA GLU A 82 -15.037 -11.486 6.222 1.00 0.11 H new ATOM 0 HB2 GLU A 82 -14.552 -8.632 5.348 1.00 4.43 H new ATOM 0 HB3 GLU A 82 -13.433 -9.917 4.939 1.00 4.43 H new ATOM 0 HG2 GLU A 82 -15.180 -11.169 3.772 1.00 14.14 H new ATOM 0 HG3 GLU A 82 -16.422 -10.075 4.347 1.00 14.14 H new ATOM 1245 N THR A 83 -13.568 -9.253 8.141 1.00 34.35 N ATOM 1246 CA THR A 83 -12.521 -9.069 9.131 1.00 2.13 C ATOM 1247 C THR A 83 -12.817 -9.898 10.382 1.00 13.15 C ATOM 1248 O THR A 83 -11.914 -10.196 11.163 1.00 52.24 O ATOM 1249 CB THR A 83 -12.394 -7.570 9.411 1.00 24.14 C ATOM 1250 OG1 THR A 83 -11.653 -7.071 8.301 1.00 23.13 O ATOM 1251 CG2 THR A 83 -11.501 -7.274 10.618 1.00 13.35 C ATOM 0 H THR A 83 -14.171 -8.442 8.002 1.00 34.35 H new ATOM 0 HA THR A 83 -11.560 -9.428 8.762 1.00 2.13 H new ATOM 0 HB THR A 83 -13.384 -7.147 9.579 1.00 24.14 H new ATOM 0 HG1 THR A 83 -10.843 -7.610 8.179 1.00 23.13 H new ATOM 0 HG21 THR A 83 -11.444 -6.197 10.773 1.00 13.35 H new ATOM 0 HG22 THR A 83 -11.921 -7.747 11.506 1.00 13.35 H new ATOM 0 HG23 THR A 83 -10.501 -7.667 10.436 1.00 13.35 H new ATOM 1259 N LYS A 84 -14.086 -10.247 10.535 1.00 53.00 N ATOM 1260 CA LYS A 84 -14.513 -11.036 11.678 1.00 13.21 C ATOM 1261 C LYS A 84 -13.897 -12.433 11.587 1.00 74.45 C ATOM 1262 O LYS A 84 -13.132 -12.837 12.461 1.00 14.01 O ATOM 1263 CB LYS A 84 -16.040 -11.042 11.785 1.00 64.14 C ATOM 1264 CG LYS A 84 -16.530 -9.921 12.703 1.00 3.21 C ATOM 1265 CD LYS A 84 -16.568 -10.383 14.161 1.00 25.40 C ATOM 1266 CE LYS A 84 -17.547 -11.545 14.343 1.00 51.55 C ATOM 1267 NZ LYS A 84 -18.769 -11.322 13.538 1.00 34.11 N ATOM 0 H LYS A 84 -14.833 -9.998 9.886 1.00 53.00 H new ATOM 0 HA LYS A 84 -14.154 -10.589 12.605 1.00 13.21 H new ATOM 0 HB2 LYS A 84 -16.478 -10.923 10.794 1.00 64.14 H new ATOM 0 HB3 LYS A 84 -16.377 -12.005 12.169 1.00 64.14 H new ATOM 0 HG2 LYS A 84 -15.873 -9.056 12.609 1.00 3.21 H new ATOM 0 HG3 LYS A 84 -17.525 -9.601 12.393 1.00 3.21 H new ATOM 0 HD2 LYS A 84 -15.571 -10.691 14.475 1.00 25.40 H new ATOM 0 HD3 LYS A 84 -16.862 -9.552 14.802 1.00 25.40 H new ATOM 0 HE2 LYS A 84 -17.072 -12.479 14.043 1.00 51.55 H new ATOM 0 HE3 LYS A 84 -17.811 -11.645 15.396 1.00 51.55 H new ATOM 0 HZ1 LYS A 84 -19.538 -11.921 13.901 1.00 34.11 H new ATOM 0 HZ2 LYS A 84 -19.049 -10.322 13.602 1.00 34.11 H new ATOM 0 HZ3 LYS A 84 -18.580 -11.566 12.545 1.00 34.11 H new ATOM 1280 N ALA A 85 -14.254 -13.134 10.520 1.00 51.41 N ATOM 1281 CA ALA A 85 -13.746 -14.478 10.303 1.00 50.53 C ATOM 1282 C ALA A 85 -12.221 -14.429 10.184 1.00 54.33 C ATOM 1283 O ALA A 85 -11.554 -15.458 10.280 1.00 14.44 O ATOM 1284 CB ALA A 85 -14.409 -15.080 9.062 1.00 44.40 C ATOM 0 H ALA A 85 -14.889 -12.796 9.797 1.00 51.41 H new ATOM 0 HA ALA A 85 -13.990 -15.122 11.148 1.00 50.53 H new ATOM 0 HB1 ALA A 85 -14.028 -16.088 8.899 1.00 44.40 H new ATOM 0 HB2 ALA A 85 -15.488 -15.119 9.209 1.00 44.40 H new ATOM 0 HB3 ALA A 85 -14.183 -14.462 8.193 1.00 44.40 H new ATOM 1290 N PHE A 86 -11.714 -13.222 9.976 1.00 74.42 N ATOM 1291 CA PHE A 86 -10.281 -13.026 9.843 1.00 41.14 C ATOM 1292 C PHE A 86 -9.605 -12.969 11.214 1.00 15.14 C ATOM 1293 O PHE A 86 -8.485 -13.448 11.379 1.00 63.32 O ATOM 1294 CB PHE A 86 -10.077 -11.687 9.131 1.00 12.01 C ATOM 1295 CG PHE A 86 -8.827 -11.634 8.250 1.00 75.42 C ATOM 1296 CD1 PHE A 86 -7.853 -12.572 8.395 1.00 72.32 C ATOM 1297 CD2 PHE A 86 -8.691 -10.650 7.321 1.00 1.05 C ATOM 1298 CE1 PHE A 86 -6.693 -12.523 7.577 1.00 75.50 C ATOM 1299 CE2 PHE A 86 -7.531 -10.601 6.504 1.00 71.24 C ATOM 1300 CZ PHE A 86 -6.557 -11.539 6.649 1.00 42.03 C ATOM 0 H PHE A 86 -12.270 -12.371 9.896 1.00 74.42 H new ATOM 0 HA PHE A 86 -9.843 -13.854 9.286 1.00 41.14 H new ATOM 0 HB2 PHE A 86 -10.952 -11.478 8.515 1.00 12.01 H new ATOM 0 HB3 PHE A 86 -10.016 -10.896 9.878 1.00 12.01 H new ATOM 0 HD1 PHE A 86 -7.962 -13.354 9.132 1.00 72.32 H new ATOM 0 HD2 PHE A 86 -9.465 -9.906 7.205 1.00 1.05 H new ATOM 0 HE1 PHE A 86 -5.919 -13.267 7.692 1.00 75.50 H new ATOM 0 HE2 PHE A 86 -7.422 -9.819 5.767 1.00 71.24 H new ATOM 0 HZ PHE A 86 -5.675 -11.502 6.027 1.00 42.03 H new ATOM 1310 N LEU A 87 -10.316 -12.379 12.164 1.00 0.32 N ATOM 1311 CA LEU A 87 -9.799 -12.253 13.516 1.00 13.24 C ATOM 1312 C LEU A 87 -9.732 -13.638 14.163 1.00 44.11 C ATOM 1313 O LEU A 87 -8.647 -14.136 14.459 1.00 22.22 O ATOM 1314 CB LEU A 87 -10.626 -11.242 14.314 1.00 44.32 C ATOM 1315 CG LEU A 87 -10.183 -11.005 15.759 1.00 11.02 C ATOM 1316 CD1 LEU A 87 -8.800 -10.354 15.809 1.00 5.04 C ATOM 1317 CD2 LEU A 87 -11.228 -10.191 16.526 1.00 25.41 C ATOM 0 H LEU A 87 -11.246 -11.983 12.024 1.00 0.32 H new ATOM 0 HA LEU A 87 -8.783 -11.858 13.500 1.00 13.24 H new ATOM 0 HB2 LEU A 87 -10.604 -10.288 13.787 1.00 44.32 H new ATOM 0 HB3 LEU A 87 -11.663 -11.577 14.323 1.00 44.32 H new ATOM 0 HG LEU A 87 -10.101 -11.973 16.254 1.00 11.02 H new ATOM 0 HD11 LEU A 87 -8.509 -10.197 16.848 1.00 5.04 H new ATOM 0 HD12 LEU A 87 -8.073 -11.006 15.324 1.00 5.04 H new ATOM 0 HD13 LEU A 87 -8.830 -9.395 15.291 1.00 5.04 H new ATOM 0 HD21 LEU A 87 -10.889 -10.037 17.550 1.00 25.41 H new ATOM 0 HD22 LEU A 87 -11.366 -9.225 16.040 1.00 25.41 H new ATOM 0 HD23 LEU A 87 -12.175 -10.731 16.535 1.00 25.41 H new ATOM 1329 N LYS A 88 -10.905 -14.220 14.363 1.00 63.55 N ATOM 1330 CA LYS A 88 -10.992 -15.538 14.968 1.00 34.25 C ATOM 1331 C LYS A 88 -10.170 -16.530 14.143 1.00 1.03 C ATOM 1332 O LYS A 88 -9.801 -17.596 14.634 1.00 12.22 O ATOM 1333 CB LYS A 88 -12.455 -15.950 15.146 1.00 72.12 C ATOM 1334 CG LYS A 88 -12.987 -15.511 16.512 1.00 42.45 C ATOM 1335 CD LYS A 88 -14.233 -16.310 16.898 1.00 22.01 C ATOM 1336 CE LYS A 88 -15.162 -15.481 17.787 1.00 21.33 C ATOM 1337 NZ LYS A 88 -14.643 -15.429 19.172 1.00 11.14 N ATOM 0 H LYS A 88 -11.803 -13.803 14.117 1.00 63.55 H new ATOM 0 HA LYS A 88 -10.564 -15.525 15.970 1.00 34.25 H new ATOM 0 HB2 LYS A 88 -13.060 -15.505 14.356 1.00 72.12 H new ATOM 0 HB3 LYS A 88 -12.546 -17.032 15.047 1.00 72.12 H new ATOM 0 HG2 LYS A 88 -12.214 -15.648 17.268 1.00 42.45 H new ATOM 0 HG3 LYS A 88 -13.225 -14.448 16.489 1.00 42.45 H new ATOM 0 HD2 LYS A 88 -14.765 -16.619 15.998 1.00 22.01 H new ATOM 0 HD3 LYS A 88 -13.938 -17.219 17.422 1.00 22.01 H new ATOM 0 HE2 LYS A 88 -15.251 -14.471 17.388 1.00 21.33 H new ATOM 0 HE3 LYS A 88 -16.162 -15.915 17.783 1.00 21.33 H new ATOM 0 HZ1 LYS A 88 -15.285 -14.863 19.762 1.00 11.14 H new ATOM 0 HZ2 LYS A 88 -14.580 -16.394 19.556 1.00 11.14 H new ATOM 0 HZ3 LYS A 88 -13.698 -14.994 19.173 1.00 11.14 H new ATOM 1350 N ALA A 89 -9.906 -16.144 12.904 1.00 54.34 N ATOM 1351 CA ALA A 89 -9.134 -16.986 12.006 1.00 54.45 C ATOM 1352 C ALA A 89 -7.717 -17.148 12.558 1.00 30.33 C ATOM 1353 O ALA A 89 -7.112 -18.211 12.423 1.00 52.31 O ATOM 1354 CB ALA A 89 -9.146 -16.380 10.601 1.00 54.52 C ATOM 0 H ALA A 89 -10.213 -15.259 12.500 1.00 54.34 H new ATOM 0 HA ALA A 89 -9.577 -17.980 11.937 1.00 54.45 H new ATOM 0 HB1 ALA A 89 -8.567 -17.012 9.927 1.00 54.52 H new ATOM 0 HB2 ALA A 89 -10.173 -16.313 10.242 1.00 54.52 H new ATOM 0 HB3 ALA A 89 -8.707 -15.383 10.631 1.00 54.52 H new ATOM 1360 N GLY A 90 -7.228 -16.079 13.170 1.00 73.24 N ATOM 1361 CA GLY A 90 -5.893 -16.090 13.743 1.00 14.04 C ATOM 1362 C GLY A 90 -5.951 -15.971 15.268 1.00 61.32 C ATOM 1363 O GLY A 90 -5.525 -16.878 15.981 1.00 22.31 O ATOM 0 H GLY A 90 -7.733 -15.200 13.281 1.00 73.24 H new ATOM 0 HA2 GLY A 90 -5.382 -17.012 13.466 1.00 14.04 H new ATOM 0 HA3 GLY A 90 -5.310 -15.266 13.332 1.00 14.04 H new ATOM 1367 N ASP A 91 -6.481 -14.845 15.722 1.00 32.42 N ATOM 1368 CA ASP A 91 -6.600 -14.596 17.149 1.00 61.42 C ATOM 1369 C ASP A 91 -7.425 -15.714 17.790 1.00 14.42 C ATOM 1370 O ASP A 91 -8.653 -15.643 17.822 1.00 70.43 O ATOM 1371 CB ASP A 91 -7.311 -13.269 17.419 1.00 43.22 C ATOM 1372 CG ASP A 91 -6.810 -12.505 18.646 1.00 21.25 C ATOM 1373 OD1 ASP A 91 -5.604 -12.481 18.936 1.00 74.41 O ATOM 1374 OD2 ASP A 91 -7.728 -11.909 19.329 1.00 4.33 O ATOM 0 H ASP A 91 -6.833 -14.095 15.127 1.00 32.42 H new ATOM 0 HA ASP A 91 -5.595 -14.559 17.570 1.00 61.42 H new ATOM 0 HB2 ASP A 91 -7.201 -12.630 16.542 1.00 43.22 H new ATOM 0 HB3 ASP A 91 -8.377 -13.463 17.541 1.00 43.22 H new ATOM 1380 N SER A 92 -6.718 -16.718 18.286 1.00 72.44 N ATOM 1381 CA SER A 92 -7.370 -17.849 18.924 1.00 31.04 C ATOM 1382 C SER A 92 -7.700 -17.509 20.379 1.00 20.33 C ATOM 1383 O SER A 92 -8.200 -18.297 21.158 1.00 64.42 O ATOM 1384 CB SER A 92 -6.493 -19.101 18.857 1.00 2.44 C ATOM 1385 OG SER A 92 -7.187 -20.264 19.301 1.00 41.52 O ATOM 0 H SER A 92 -5.700 -16.772 18.259 1.00 72.44 H new ATOM 0 HA SER A 92 -8.295 -18.058 18.387 1.00 31.04 H new ATOM 0 HB2 SER A 92 -6.153 -19.251 17.832 1.00 2.44 H new ATOM 0 HB3 SER A 92 -5.604 -18.954 19.470 1.00 2.44 H new ATOM 0 HG SER A 92 -7.783 -20.026 20.042 1.00 41.52 H new ATOM 1391 N ASP A 93 -7.405 -16.292 20.742 1.00 44.44 N ATOM 1392 CA ASP A 93 -7.683 -15.836 22.133 1.00 51.13 C ATOM 1393 C ASP A 93 -8.676 -14.669 22.113 1.00 43.25 C ATOM 1394 O ASP A 93 -9.081 -14.239 23.191 1.00 21.15 O ATOM 1395 CB ASP A 93 -6.329 -15.380 22.678 1.00 34.23 C ATOM 1396 CG ASP A 93 -5.596 -14.566 21.612 1.00 43.33 C ATOM 1397 OD1 ASP A 93 -6.219 -13.697 21.024 1.00 14.30 O ATOM 1398 OD2 ASP A 93 -4.423 -14.825 21.398 1.00 44.52 O ATOM 0 H ASP A 93 -6.982 -15.591 20.133 1.00 44.44 H new ATOM 0 HA ASP A 93 -8.124 -16.621 22.747 1.00 51.13 H new ATOM 0 HB2 ASP A 93 -6.471 -14.779 23.576 1.00 34.23 H new ATOM 0 HB3 ASP A 93 -5.731 -16.245 22.965 1.00 34.23 H new ATOM 1403 N GLY A 94 -9.035 -14.189 20.931 1.00 41.00 N ATOM 1404 CA GLY A 94 -9.968 -13.080 20.826 1.00 43.22 C ATOM 1405 C GLY A 94 -9.731 -12.057 21.938 1.00 4.45 C ATOM 1406 O GLY A 94 -10.549 -11.920 22.846 1.00 35.52 O ATOM 0 H GLY A 94 -8.697 -14.548 20.038 1.00 41.00 H new ATOM 0 HA2 GLY A 94 -9.858 -12.598 19.854 1.00 43.22 H new ATOM 0 HA3 GLY A 94 -10.990 -13.454 20.883 1.00 43.22 H new ATOM 1410 N ASP A 95 -8.607 -11.363 21.832 1.00 64.54 N ATOM 1411 CA ASP A 95 -8.252 -10.357 22.817 1.00 5.24 C ATOM 1412 C ASP A 95 -8.561 -8.968 22.256 1.00 42.44 C ATOM 1413 O ASP A 95 -8.746 -8.015 23.012 1.00 71.42 O ATOM 1414 CB ASP A 95 -6.759 -10.412 23.147 1.00 4.44 C ATOM 1415 CG ASP A 95 -6.236 -11.791 23.552 1.00 32.44 C ATOM 1416 OD1 ASP A 95 -5.020 -12.004 23.671 1.00 74.52 O ATOM 1417 OD2 ASP A 95 -7.147 -12.682 23.752 1.00 35.34 O ATOM 0 H ASP A 95 -7.930 -11.478 21.078 1.00 64.54 H new ATOM 0 HA ASP A 95 -8.829 -10.552 23.721 1.00 5.24 H new ATOM 0 HB2 ASP A 95 -6.198 -10.068 22.278 1.00 4.44 H new ATOM 0 HB3 ASP A 95 -6.555 -9.711 23.956 1.00 4.44 H new ATOM 1423 N GLY A 96 -8.607 -8.896 20.933 1.00 0.04 N ATOM 1424 CA GLY A 96 -8.891 -7.639 20.262 1.00 64.25 C ATOM 1425 C GLY A 96 -7.722 -7.219 19.368 1.00 4.13 C ATOM 1426 O GLY A 96 -7.790 -6.194 18.692 1.00 41.03 O ATOM 0 H GLY A 96 -8.452 -9.688 20.309 1.00 0.04 H new ATOM 0 HA2 GLY A 96 -9.795 -7.739 19.661 1.00 64.25 H new ATOM 0 HA3 GLY A 96 -9.085 -6.863 21.002 1.00 64.25 H new ATOM 1430 N LYS A 97 -6.676 -8.032 19.395 1.00 21.11 N ATOM 1431 CA LYS A 97 -5.494 -7.758 18.596 1.00 3.53 C ATOM 1432 C LYS A 97 -4.922 -9.075 18.070 1.00 70.35 C ATOM 1433 O LYS A 97 -5.153 -10.133 18.653 1.00 72.55 O ATOM 1434 CB LYS A 97 -4.488 -6.927 19.396 1.00 41.22 C ATOM 1435 CG LYS A 97 -5.203 -5.984 20.365 1.00 14.40 C ATOM 1436 CD LYS A 97 -4.198 -5.147 21.159 1.00 62.11 C ATOM 1437 CE LYS A 97 -3.474 -6.003 22.200 1.00 12.25 C ATOM 1438 NZ LYS A 97 -4.238 -6.033 23.468 1.00 73.34 N ATOM 0 H LYS A 97 -6.623 -8.881 19.958 1.00 21.11 H new ATOM 0 HA LYS A 97 -5.754 -7.153 17.727 1.00 3.53 H new ATOM 0 HB2 LYS A 97 -3.824 -7.589 19.951 1.00 41.22 H new ATOM 0 HB3 LYS A 97 -3.865 -6.349 18.714 1.00 41.22 H new ATOM 0 HG2 LYS A 97 -5.872 -5.326 19.810 1.00 14.40 H new ATOM 0 HG3 LYS A 97 -5.822 -6.563 21.051 1.00 14.40 H new ATOM 0 HD2 LYS A 97 -3.471 -4.703 20.479 1.00 62.11 H new ATOM 0 HD3 LYS A 97 -4.715 -4.325 21.654 1.00 62.11 H new ATOM 0 HE2 LYS A 97 -3.347 -7.017 21.821 1.00 12.25 H new ATOM 0 HE3 LYS A 97 -2.476 -5.602 22.379 1.00 12.25 H new ATOM 0 HZ1 LYS A 97 -3.733 -6.618 24.164 1.00 73.34 H new ATOM 0 HZ2 LYS A 97 -4.338 -5.066 23.836 1.00 73.34 H new ATOM 0 HZ3 LYS A 97 -5.181 -6.436 23.296 1.00 73.34 H new ATOM 1451 N ILE A 98 -4.187 -8.968 16.973 1.00 44.03 N ATOM 1452 CA ILE A 98 -3.580 -10.138 16.361 1.00 71.12 C ATOM 1453 C ILE A 98 -2.066 -9.937 16.277 1.00 24.21 C ATOM 1454 O ILE A 98 -1.586 -9.123 15.489 1.00 34.50 O ATOM 1455 CB ILE A 98 -4.236 -10.438 15.012 1.00 52.14 C ATOM 1456 CG1 ILE A 98 -5.531 -11.233 15.196 1.00 45.21 C ATOM 1457 CG2 ILE A 98 -3.258 -11.145 14.071 1.00 31.24 C ATOM 1458 CD1 ILE A 98 -5.933 -11.934 13.897 1.00 22.41 C ATOM 0 H ILE A 98 -3.998 -8.089 16.492 1.00 44.03 H new ATOM 0 HA ILE A 98 -3.751 -11.021 16.976 1.00 71.12 H new ATOM 0 HB ILE A 98 -4.504 -9.490 14.545 1.00 52.14 H new ATOM 0 HG12 ILE A 98 -5.399 -11.972 15.986 1.00 45.21 H new ATOM 0 HG13 ILE A 98 -6.330 -10.564 15.515 1.00 45.21 H new ATOM 0 HG21 ILE A 98 -3.750 -11.347 13.119 1.00 31.24 H new ATOM 0 HG22 ILE A 98 -2.390 -10.508 13.903 1.00 31.24 H new ATOM 0 HG23 ILE A 98 -2.937 -12.085 14.520 1.00 31.24 H new ATOM 0 HD11 ILE A 98 -6.856 -12.492 14.055 1.00 22.41 H new ATOM 0 HD12 ILE A 98 -6.088 -11.190 13.115 1.00 22.41 H new ATOM 0 HD13 ILE A 98 -5.142 -12.620 13.594 1.00 22.41 H new ATOM 1470 N GLY A 99 -1.354 -10.693 17.101 1.00 53.14 N ATOM 1471 CA GLY A 99 0.096 -10.608 17.130 1.00 60.24 C ATOM 1472 C GLY A 99 0.716 -11.417 15.988 1.00 35.44 C ATOM 1473 O GLY A 99 0.033 -11.759 15.024 1.00 64.43 O ATOM 0 H GLY A 99 -1.755 -11.367 17.753 1.00 53.14 H new ATOM 0 HA2 GLY A 99 0.404 -9.566 17.051 1.00 60.24 H new ATOM 0 HA3 GLY A 99 0.467 -10.978 18.086 1.00 60.24 H new ATOM 1477 N ILE A 100 2.001 -11.700 16.136 1.00 5.01 N ATOM 1478 CA ILE A 100 2.721 -12.463 15.130 1.00 54.52 C ATOM 1479 C ILE A 100 2.430 -13.952 15.321 1.00 75.44 C ATOM 1480 O ILE A 100 2.321 -14.697 14.348 1.00 65.15 O ATOM 1481 CB ILE A 100 4.211 -12.118 15.160 1.00 20.23 C ATOM 1482 CG1 ILE A 100 4.798 -12.097 13.747 1.00 20.45 C ATOM 1483 CG2 ILE A 100 4.975 -13.069 16.084 1.00 34.22 C ATOM 1484 CD1 ILE A 100 4.732 -13.485 13.106 1.00 44.21 C ATOM 0 H ILE A 100 2.563 -11.415 16.938 1.00 5.01 H new ATOM 0 HA ILE A 100 2.377 -12.196 14.131 1.00 54.52 H new ATOM 0 HB ILE A 100 4.321 -11.114 15.569 1.00 20.23 H new ATOM 0 HG12 ILE A 100 4.251 -11.382 13.132 1.00 20.45 H new ATOM 0 HG13 ILE A 100 5.833 -11.758 13.784 1.00 20.45 H new ATOM 0 HG21 ILE A 100 6.032 -12.802 16.087 1.00 34.22 H new ATOM 0 HG22 ILE A 100 4.578 -12.990 17.096 1.00 34.22 H new ATOM 0 HG23 ILE A 100 4.860 -14.093 15.728 1.00 34.22 H new ATOM 0 HD11 ILE A 100 5.155 -13.443 12.102 1.00 44.21 H new ATOM 0 HD12 ILE A 100 5.300 -14.192 13.710 1.00 44.21 H new ATOM 0 HD13 ILE A 100 3.693 -13.810 13.048 1.00 44.21 H new ATOM 1496 N ASP A 101 2.311 -14.343 16.581 1.00 11.21 N ATOM 1497 CA ASP A 101 2.034 -15.730 16.912 1.00 25.40 C ATOM 1498 C ASP A 101 0.591 -16.063 16.530 1.00 33.33 C ATOM 1499 O ASP A 101 0.241 -17.231 16.368 1.00 24.52 O ATOM 1500 CB ASP A 101 2.197 -15.982 18.412 1.00 12.34 C ATOM 1501 CG ASP A 101 3.207 -15.072 19.115 1.00 70.32 C ATOM 1502 OD1 ASP A 101 4.422 -15.320 19.080 1.00 55.13 O ATOM 1503 OD2 ASP A 101 2.695 -14.058 19.726 1.00 32.42 O ATOM 0 H ASP A 101 2.401 -13.723 17.386 1.00 11.21 H new ATOM 0 HA ASP A 101 2.739 -16.354 16.363 1.00 25.40 H new ATOM 0 HB2 ASP A 101 1.226 -15.862 18.893 1.00 12.34 H new ATOM 0 HB3 ASP A 101 2.500 -17.019 18.560 1.00 12.34 H new ATOM 1509 N GLU A 102 -0.209 -15.016 16.398 1.00 52.51 N ATOM 1510 CA GLU A 102 -1.607 -15.182 16.038 1.00 12.03 C ATOM 1511 C GLU A 102 -1.789 -15.022 14.528 1.00 55.43 C ATOM 1512 O GLU A 102 -2.605 -15.714 13.920 1.00 24.23 O ATOM 1513 CB GLU A 102 -2.492 -14.197 16.805 1.00 44.41 C ATOM 1514 CG GLU A 102 -2.648 -14.622 18.266 1.00 22.22 C ATOM 1515 CD GLU A 102 -2.812 -13.404 19.177 1.00 23.15 C ATOM 1516 OE1 GLU A 102 -3.117 -12.323 18.630 1.00 43.32 O ATOM 1517 OE2 GLU A 102 -2.628 -13.582 20.401 1.00 33.11 O ATOM 0 H GLU A 102 0.084 -14.049 16.534 1.00 52.51 H new ATOM 0 HA GLU A 102 -1.916 -16.189 16.316 1.00 12.03 H new ATOM 0 HB2 GLU A 102 -2.057 -13.199 16.758 1.00 44.41 H new ATOM 0 HB3 GLU A 102 -3.473 -14.140 16.333 1.00 44.41 H new ATOM 0 HG2 GLU A 102 -3.514 -15.276 18.368 1.00 22.22 H new ATOM 0 HG3 GLU A 102 -1.776 -15.198 18.576 1.00 22.22 H new ATOM 1524 N PHE A 103 -1.017 -14.104 13.965 1.00 61.33 N ATOM 1525 CA PHE A 103 -1.083 -13.844 12.537 1.00 60.34 C ATOM 1526 C PHE A 103 -0.343 -14.926 11.747 1.00 24.05 C ATOM 1527 O PHE A 103 -0.700 -15.223 10.608 1.00 2.44 O ATOM 1528 CB PHE A 103 -0.400 -12.497 12.295 1.00 12.54 C ATOM 1529 CG PHE A 103 -0.082 -12.214 10.826 1.00 62.54 C ATOM 1530 CD1 PHE A 103 -1.067 -11.805 9.983 1.00 55.41 C ATOM 1531 CD2 PHE A 103 1.187 -12.374 10.362 1.00 13.30 C ATOM 1532 CE1 PHE A 103 -0.772 -11.543 8.619 1.00 40.11 C ATOM 1533 CE2 PHE A 103 1.482 -12.112 8.998 1.00 62.11 C ATOM 1534 CZ PHE A 103 0.497 -11.702 8.155 1.00 35.22 C ATOM 0 H PHE A 103 -0.343 -13.531 14.472 1.00 61.33 H new ATOM 0 HA PHE A 103 -2.122 -13.838 12.208 1.00 60.34 H new ATOM 0 HB2 PHE A 103 -1.041 -11.703 12.676 1.00 12.54 H new ATOM 0 HB3 PHE A 103 0.526 -12.463 12.869 1.00 12.54 H new ATOM 0 HD1 PHE A 103 -2.075 -11.679 10.351 1.00 55.41 H new ATOM 0 HD2 PHE A 103 1.970 -12.700 11.031 1.00 13.30 H new ATOM 0 HE1 PHE A 103 -1.555 -11.218 7.950 1.00 40.11 H new ATOM 0 HE2 PHE A 103 2.489 -12.238 8.630 1.00 62.11 H new ATOM 0 HZ PHE A 103 0.722 -11.503 7.118 1.00 35.22 H new ATOM 1544 N ALA A 104 0.675 -15.486 12.384 1.00 22.04 N ATOM 1545 CA ALA A 104 1.469 -16.528 11.756 1.00 30.53 C ATOM 1546 C ALA A 104 0.817 -17.888 12.019 1.00 44.31 C ATOM 1547 O ALA A 104 1.257 -18.905 11.484 1.00 1.54 O ATOM 1548 CB ALA A 104 2.906 -16.460 12.277 1.00 32.34 C ATOM 0 H ALA A 104 0.968 -15.238 13.329 1.00 22.04 H new ATOM 0 HA ALA A 104 1.507 -16.383 10.676 1.00 30.53 H new ATOM 0 HB1 ALA A 104 3.501 -17.242 11.806 1.00 32.34 H new ATOM 0 HB2 ALA A 104 3.333 -15.486 12.040 1.00 32.34 H new ATOM 0 HB3 ALA A 104 2.908 -16.604 13.357 1.00 32.34 H new ATOM 1554 N ALA A 105 -0.220 -17.861 12.842 1.00 34.41 N ATOM 1555 CA ALA A 105 -0.937 -19.079 13.182 1.00 0.11 C ATOM 1556 C ALA A 105 -1.944 -19.399 12.075 1.00 2.14 C ATOM 1557 O ALA A 105 -1.927 -20.493 11.513 1.00 2.13 O ATOM 1558 CB ALA A 105 -1.605 -18.913 14.548 1.00 34.34 C ATOM 0 H ALA A 105 -0.581 -17.016 13.284 1.00 34.41 H new ATOM 0 HA ALA A 105 -0.250 -19.922 13.255 1.00 0.11 H new ATOM 0 HB1 ALA A 105 -2.143 -19.826 14.803 1.00 34.34 H new ATOM 0 HB2 ALA A 105 -0.844 -18.717 15.304 1.00 34.34 H new ATOM 0 HB3 ALA A 105 -2.305 -18.078 14.512 1.00 34.34 H new ATOM 1564 N MET A 106 -2.797 -18.425 11.796 1.00 41.43 N ATOM 1565 CA MET A 106 -3.809 -18.589 10.766 1.00 12.23 C ATOM 1566 C MET A 106 -3.195 -19.136 9.476 1.00 53.31 C ATOM 1567 O MET A 106 -3.896 -19.715 8.648 1.00 73.41 O ATOM 1568 CB MET A 106 -4.474 -17.240 10.484 1.00 61.00 C ATOM 1569 CG MET A 106 -3.427 -16.165 10.186 1.00 10.54 C ATOM 1570 SD MET A 106 -4.053 -14.559 10.651 1.00 44.42 S ATOM 1571 CE MET A 106 -5.580 -14.542 9.727 1.00 31.14 C ATOM 0 H MET A 106 -2.808 -17.519 12.265 1.00 41.43 H new ATOM 0 HA MET A 106 -4.552 -19.302 11.123 1.00 12.23 H new ATOM 0 HB2 MET A 106 -5.154 -17.335 9.637 1.00 61.00 H new ATOM 0 HB3 MET A 106 -5.075 -16.940 11.343 1.00 61.00 H new ATOM 0 HG2 MET A 106 -2.508 -16.379 10.732 1.00 10.54 H new ATOM 0 HG3 MET A 106 -3.176 -16.174 9.125 1.00 10.54 H new ATOM 0 HE1 MET A 106 -6.136 -13.633 9.959 1.00 31.14 H new ATOM 0 HE2 MET A 106 -5.360 -14.570 8.660 1.00 31.14 H new ATOM 0 HE3 MET A 106 -6.178 -15.412 9.997 1.00 31.14 H new ATOM 1581 N ILE A 107 -1.893 -18.932 9.345 1.00 3.13 N ATOM 1582 CA ILE A 107 -1.177 -19.397 8.170 1.00 65.32 C ATOM 1583 C ILE A 107 -0.422 -20.683 8.513 1.00 32.24 C ATOM 1584 O ILE A 107 -0.462 -21.652 7.756 1.00 10.32 O ATOM 1585 CB ILE A 107 -0.281 -18.288 7.614 1.00 25.44 C ATOM 1586 CG1 ILE A 107 0.367 -17.488 8.746 1.00 13.13 C ATOM 1587 CG2 ILE A 107 -1.055 -17.390 6.647 1.00 20.54 C ATOM 1588 CD1 ILE A 107 1.426 -16.528 8.202 1.00 4.44 C ATOM 0 H ILE A 107 -1.315 -18.451 10.034 1.00 3.13 H new ATOM 0 HA ILE A 107 -1.876 -19.641 7.370 1.00 65.32 H new ATOM 0 HB ILE A 107 0.525 -18.753 7.046 1.00 25.44 H new ATOM 0 HG12 ILE A 107 -0.397 -16.926 9.283 1.00 13.13 H new ATOM 0 HG13 ILE A 107 0.823 -18.170 9.463 1.00 13.13 H new ATOM 0 HG21 ILE A 107 -0.395 -16.611 6.267 1.00 20.54 H new ATOM 0 HG22 ILE A 107 -1.428 -17.987 5.815 1.00 20.54 H new ATOM 0 HG23 ILE A 107 -1.895 -16.931 7.169 1.00 20.54 H new ATOM 0 HD11 ILE A 107 1.871 -15.972 9.027 1.00 4.44 H new ATOM 0 HD12 ILE A 107 2.201 -17.095 7.687 1.00 4.44 H new ATOM 0 HD13 ILE A 107 0.962 -15.832 7.504 1.00 4.44 H new ATOM 1600 N LYS A 108 0.248 -20.651 9.656 1.00 71.00 N ATOM 1601 CA LYS A 108 1.010 -21.802 10.109 1.00 2.02 C ATOM 1602 C LYS A 108 0.075 -23.004 10.251 1.00 34.20 C ATOM 1603 O LYS A 108 0.528 -24.147 10.287 1.00 72.25 O ATOM 1604 CB LYS A 108 1.778 -21.466 11.389 1.00 10.22 C ATOM 1605 CG LYS A 108 2.487 -22.703 11.944 1.00 14.05 C ATOM 1606 CD LYS A 108 3.909 -22.364 12.395 1.00 12.05 C ATOM 1607 CE LYS A 108 4.932 -22.770 11.333 1.00 23.23 C ATOM 1608 NZ LYS A 108 6.283 -22.874 11.928 1.00 23.45 N ATOM 0 H LYS A 108 0.279 -19.846 10.282 1.00 71.00 H new ATOM 0 HA LYS A 108 1.766 -22.072 9.372 1.00 2.02 H new ATOM 0 HB2 LYS A 108 2.510 -20.685 11.184 1.00 10.22 H new ATOM 0 HB3 LYS A 108 1.090 -21.070 12.137 1.00 10.22 H new ATOM 0 HG2 LYS A 108 1.921 -23.104 12.785 1.00 14.05 H new ATOM 0 HG3 LYS A 108 2.519 -23.481 11.181 1.00 14.05 H new ATOM 0 HD2 LYS A 108 3.987 -21.295 12.590 1.00 12.05 H new ATOM 0 HD3 LYS A 108 4.129 -22.876 13.332 1.00 12.05 H new ATOM 0 HE2 LYS A 108 4.648 -23.726 10.892 1.00 23.23 H new ATOM 0 HE3 LYS A 108 4.939 -22.036 10.527 1.00 23.23 H new ATOM 0 HZ1 LYS A 108 6.883 -23.472 11.325 1.00 23.45 H new ATOM 0 HZ2 LYS A 108 6.703 -21.926 12.002 1.00 23.45 H new ATOM 0 HZ3 LYS A 108 6.213 -23.297 12.875 1.00 23.45 H new ATOM 1621 N GLY A 109 -1.214 -22.705 10.328 1.00 23.12 N ATOM 1622 CA GLY A 109 -2.217 -23.747 10.465 1.00 31.14 C ATOM 1623 C GLY A 109 -3.614 -23.207 10.153 1.00 34.35 C ATOM 1624 O GLY A 109 -4.287 -23.702 9.250 1.00 13.34 O ATOM 0 H GLY A 109 -1.586 -21.756 10.298 1.00 23.12 H new ATOM 0 HA2 GLY A 109 -1.984 -24.572 9.792 1.00 31.14 H new ATOM 0 HA3 GLY A 109 -2.196 -24.146 11.479 1.00 31.14 H new