USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 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 41 THR OG1 : rot -150:sc= 0.646 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 162:sc= 0.658 (180deg=0) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.16 K(o=-1.4,f=-4.2) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 157:sc= -0.234 (180deg=-1.05) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -0.78 (180deg=-2.02!) USER MOD Single : A 13 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 19 CYS SG : rot -71:sc= 0.141 USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= -0.185 (180deg=-1.17) USER MOD Single : A 24 SER OG : rot 25:sc= 1 USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.09 (180deg=-0.497) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc=-0.00907 (180deg=-0.912) USER MOD Single : A 34 CYS SG : rot -61:sc= -2.45 USER MOD Single : A 37 SER OG : rot 55:sc= 0.0793 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+ -168:sc= -0.689 (180deg=-1.1) USER MOD Single : A 53 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.0039) USER MOD Single : A 55 LYS NZ :NH3+ -103:sc= -1.87 (180deg=-4.16!) USER MOD Single : A 56 SER OG : rot 137:sc= -3.14! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.1) USER MOD Single : A 70 ASN : amide:sc= -16.2! C(o=-16!,f=-16!) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.136 (180deg=-1.06) USER MOD Single : A 79 SER OG : rot 180:sc=-0.00528 USER MOD Single : A 83 THR OG1 : rot 134:sc= 0.432 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= -0.375 (180deg=-1.66) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -6.77! (180deg=-7.44!) USER MOD Single : A 106 MET CE :methyl 176:sc= -6.82! (180deg=-7.27!) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.778 -3.334 -0.369 1.00 41.33 N ATOM 30 CA ALA A 2 5.963 -3.731 0.371 1.00 5.24 C ATOM 31 C ALA A 2 6.305 -5.185 0.038 1.00 54.50 C ATOM 32 O ALA A 2 7.447 -5.497 -0.294 1.00 71.33 O ATOM 33 CB ALA A 2 5.727 -3.516 1.868 1.00 55.04 C ATOM 0 HA ALA A 2 6.817 -3.118 0.084 1.00 5.24 H new ATOM 0 HB1 ALA A 2 6.616 -3.814 2.423 1.00 55.04 H new ATOM 0 HB2 ALA A 2 5.518 -2.463 2.056 1.00 55.04 H new ATOM 0 HB3 ALA A 2 4.878 -4.118 2.193 1.00 55.04 H new ATOM 39 N PHE A 3 5.293 -6.034 0.138 1.00 20.22 N ATOM 40 CA PHE A 3 5.471 -7.447 -0.149 1.00 25.54 C ATOM 41 C PHE A 3 6.198 -7.649 -1.480 1.00 73.31 C ATOM 42 O PHE A 3 6.828 -8.683 -1.697 1.00 71.10 O ATOM 43 CB PHE A 3 4.075 -8.064 -0.244 1.00 74.25 C ATOM 44 CG PHE A 3 3.559 -8.644 1.074 1.00 34.01 C ATOM 45 CD1 PHE A 3 2.572 -8.005 1.758 1.00 74.22 C ATOM 46 CD2 PHE A 3 4.087 -9.798 1.562 1.00 31.14 C ATOM 47 CE1 PHE A 3 2.093 -8.543 2.981 1.00 33.34 C ATOM 48 CE2 PHE A 3 3.608 -10.336 2.786 1.00 20.22 C ATOM 49 CZ PHE A 3 2.621 -9.697 3.470 1.00 70.31 C ATOM 0 H PHE A 3 4.347 -5.771 0.414 1.00 20.22 H new ATOM 0 HA PHE A 3 6.069 -7.913 0.634 1.00 25.54 H new ATOM 0 HB2 PHE A 3 3.376 -7.304 -0.593 1.00 74.25 H new ATOM 0 HB3 PHE A 3 4.088 -8.853 -0.996 1.00 74.25 H new ATOM 0 HD1 PHE A 3 2.153 -7.088 1.370 1.00 74.22 H new ATOM 0 HD2 PHE A 3 4.871 -10.305 1.019 1.00 31.14 H new ATOM 0 HE1 PHE A 3 1.309 -8.036 3.523 1.00 33.34 H new ATOM 0 HE2 PHE A 3 4.027 -11.253 3.174 1.00 20.22 H new ATOM 0 HZ PHE A 3 2.257 -10.106 4.401 1.00 70.31 H new ATOM 59 N ALA A 4 6.085 -6.645 -2.337 1.00 61.21 N ATOM 60 CA ALA A 4 6.723 -6.700 -3.641 1.00 41.55 C ATOM 61 C ALA A 4 8.130 -7.282 -3.492 1.00 41.24 C ATOM 62 O ALA A 4 8.650 -7.902 -4.418 1.00 44.04 O ATOM 63 CB ALA A 4 6.734 -5.302 -4.263 1.00 55.34 C ATOM 0 H ALA A 4 5.561 -5.789 -2.154 1.00 61.21 H new ATOM 0 HA ALA A 4 6.166 -7.352 -4.313 1.00 41.55 H new ATOM 0 HB1 ALA A 4 7.213 -5.343 -5.241 1.00 55.34 H new ATOM 0 HB2 ALA A 4 5.710 -4.945 -4.375 1.00 55.34 H new ATOM 0 HB3 ALA A 4 7.287 -4.621 -3.617 1.00 55.34 H new ATOM 69 N SER A 5 8.706 -7.062 -2.320 1.00 12.54 N ATOM 70 CA SER A 5 10.042 -7.557 -2.037 1.00 44.33 C ATOM 71 C SER A 5 9.986 -9.044 -1.684 1.00 35.22 C ATOM 72 O SER A 5 10.688 -9.856 -2.285 1.00 35.14 O ATOM 73 CB SER A 5 10.694 -6.766 -0.901 1.00 43.24 C ATOM 74 OG SER A 5 11.419 -5.638 -1.384 1.00 11.51 O ATOM 0 H SER A 5 8.271 -6.547 -1.554 1.00 12.54 H new ATOM 0 HA SER A 5 10.651 -7.425 -2.931 1.00 44.33 H new ATOM 0 HB2 SER A 5 9.925 -6.432 -0.204 1.00 43.24 H new ATOM 0 HB3 SER A 5 11.367 -7.418 -0.344 1.00 43.24 H new ATOM 0 HG SER A 5 11.819 -5.158 -0.629 1.00 11.51 H new ATOM 80 N VAL A 6 9.143 -9.356 -0.710 1.00 70.41 N ATOM 81 CA VAL A 6 8.985 -10.732 -0.269 1.00 42.03 C ATOM 82 C VAL A 6 8.423 -11.570 -1.419 1.00 75.10 C ATOM 83 O VAL A 6 9.077 -12.497 -1.895 1.00 11.44 O ATOM 84 CB VAL A 6 8.115 -10.782 0.988 1.00 3.04 C ATOM 85 CG1 VAL A 6 8.258 -12.129 1.701 1.00 40.55 C ATOM 86 CG2 VAL A 6 8.449 -9.625 1.932 1.00 53.41 C ATOM 0 H VAL A 6 8.562 -8.680 -0.214 1.00 70.41 H new ATOM 0 HA VAL A 6 9.950 -11.159 0.003 1.00 42.03 H new ATOM 0 HB VAL A 6 7.075 -10.674 0.680 1.00 3.04 H new ATOM 0 HG11 VAL A 6 7.629 -12.138 2.591 1.00 40.55 H new ATOM 0 HG12 VAL A 6 7.949 -12.930 1.030 1.00 40.55 H new ATOM 0 HG13 VAL A 6 9.298 -12.279 1.990 1.00 40.55 H new ATOM 0 HG21 VAL A 6 7.816 -9.684 2.818 1.00 53.41 H new ATOM 0 HG22 VAL A 6 9.496 -9.688 2.229 1.00 53.41 H new ATOM 0 HG23 VAL A 6 8.273 -8.677 1.423 1.00 53.41 H new ATOM 96 N LEU A 7 7.215 -11.214 -1.832 1.00 61.45 N ATOM 97 CA LEU A 7 6.557 -11.922 -2.917 1.00 71.15 C ATOM 98 C LEU A 7 6.589 -11.056 -4.179 1.00 32.53 C ATOM 99 O LEU A 7 7.042 -9.913 -4.140 1.00 75.41 O ATOM 100 CB LEU A 7 5.148 -12.351 -2.501 1.00 44.41 C ATOM 101 CG LEU A 7 5.035 -13.059 -1.149 1.00 53.45 C ATOM 102 CD1 LEU A 7 3.681 -12.777 -0.495 1.00 74.34 C ATOM 103 CD2 LEU A 7 5.302 -14.558 -1.292 1.00 30.31 C ATOM 0 H LEU A 7 6.675 -10.445 -1.435 1.00 61.45 H new ATOM 0 HA LEU A 7 7.090 -12.844 -3.149 1.00 71.15 H new ATOM 0 HB2 LEU A 7 4.511 -11.466 -2.480 1.00 44.41 H new ATOM 0 HB3 LEU A 7 4.749 -13.013 -3.270 1.00 44.41 H new ATOM 0 HG LEU A 7 5.802 -12.657 -0.487 1.00 53.45 H new ATOM 0 HD11 LEU A 7 3.626 -13.292 0.464 1.00 74.34 H new ATOM 0 HD12 LEU A 7 3.569 -11.704 -0.338 1.00 74.34 H new ATOM 0 HD13 LEU A 7 2.882 -13.134 -1.144 1.00 74.34 H new ATOM 0 HD21 LEU A 7 5.216 -15.038 -0.317 1.00 30.31 H new ATOM 0 HD22 LEU A 7 4.574 -14.994 -1.977 1.00 30.31 H new ATOM 0 HD23 LEU A 7 6.307 -14.713 -1.685 1.00 30.31 H new ATOM 115 N LYS A 8 6.102 -11.635 -5.267 1.00 2.40 N ATOM 116 CA LYS A 8 6.069 -10.930 -6.537 1.00 63.25 C ATOM 117 C LYS A 8 4.755 -10.155 -6.652 1.00 5.53 C ATOM 118 O LYS A 8 3.682 -10.706 -6.412 1.00 3.42 O ATOM 119 CB LYS A 8 6.313 -11.901 -7.695 1.00 1.13 C ATOM 120 CG LYS A 8 7.248 -13.035 -7.271 1.00 62.40 C ATOM 121 CD LYS A 8 8.038 -13.571 -8.467 1.00 53.22 C ATOM 122 CE LYS A 8 9.310 -12.752 -8.695 1.00 61.30 C ATOM 123 NZ LYS A 8 8.999 -11.505 -9.428 1.00 44.32 N ATOM 0 H LYS A 8 5.727 -12.583 -5.295 1.00 2.40 H new ATOM 0 HA LYS A 8 6.876 -10.199 -6.588 1.00 63.25 H new ATOM 0 HB2 LYS A 8 5.363 -12.315 -8.033 1.00 1.13 H new ATOM 0 HB3 LYS A 8 6.746 -11.364 -8.539 1.00 1.13 H new ATOM 0 HG2 LYS A 8 7.937 -12.676 -6.507 1.00 62.40 H new ATOM 0 HG3 LYS A 8 6.667 -13.842 -6.823 1.00 62.40 H new ATOM 0 HD2 LYS A 8 8.299 -14.615 -8.296 1.00 53.22 H new ATOM 0 HD3 LYS A 8 7.416 -13.540 -9.362 1.00 53.22 H new ATOM 0 HE2 LYS A 8 9.772 -12.512 -7.737 1.00 61.30 H new ATOM 0 HE3 LYS A 8 10.033 -13.342 -9.259 1.00 61.30 H new ATOM 0 HZ1 LYS A 8 9.819 -11.227 -10.003 1.00 44.32 H new ATOM 0 HZ2 LYS A 8 8.179 -11.662 -10.048 1.00 44.32 H new ATOM 0 HZ3 LYS A 8 8.780 -10.748 -8.749 1.00 44.32 H new ATOM 136 N ASP A 9 4.883 -8.888 -7.018 1.00 42.23 N ATOM 137 CA ASP A 9 3.719 -8.031 -7.167 1.00 42.23 C ATOM 138 C ASP A 9 2.701 -8.715 -8.082 1.00 23.01 C ATOM 139 O ASP A 9 1.495 -8.580 -7.885 1.00 13.33 O ATOM 140 CB ASP A 9 4.099 -6.691 -7.801 1.00 61.33 C ATOM 141 CG ASP A 9 4.264 -6.719 -9.322 1.00 71.32 C ATOM 142 OD1 ASP A 9 3.343 -6.360 -10.071 1.00 70.50 O ATOM 143 OD2 ASP A 9 5.411 -7.137 -9.739 1.00 2.24 O ATOM 0 H ASP A 9 5.775 -8.434 -7.216 1.00 42.23 H new ATOM 0 HA ASP A 9 3.301 -7.855 -6.176 1.00 42.23 H new ATOM 0 HB2 ASP A 9 3.335 -5.956 -7.547 1.00 61.33 H new ATOM 0 HB3 ASP A 9 5.033 -6.347 -7.356 1.00 61.33 H new ATOM 149 N ALA A 10 3.225 -9.435 -9.063 1.00 22.00 N ATOM 150 CA ALA A 10 2.377 -10.141 -10.009 1.00 2.33 C ATOM 151 C ALA A 10 1.773 -11.370 -9.327 1.00 23.02 C ATOM 152 O ALA A 10 0.704 -11.838 -9.716 1.00 2.31 O ATOM 153 CB ALA A 10 3.191 -10.505 -11.252 1.00 3.51 C ATOM 0 H ALA A 10 4.226 -9.545 -9.223 1.00 22.00 H new ATOM 0 HA ALA A 10 1.553 -9.506 -10.334 1.00 2.33 H new ATOM 0 HB1 ALA A 10 2.555 -11.034 -11.961 1.00 3.51 H new ATOM 0 HB2 ALA A 10 3.573 -9.596 -11.716 1.00 3.51 H new ATOM 0 HB3 ALA A 10 4.026 -11.145 -10.966 1.00 3.51 H new ATOM 159 N GLU A 11 2.484 -11.858 -8.321 1.00 63.42 N ATOM 160 CA GLU A 11 2.032 -13.024 -7.581 1.00 71.45 C ATOM 161 C GLU A 11 0.910 -12.638 -6.615 1.00 43.33 C ATOM 162 O GLU A 11 -0.212 -13.127 -6.734 1.00 51.51 O ATOM 163 CB GLU A 11 3.193 -13.686 -6.837 1.00 2.12 C ATOM 164 CG GLU A 11 4.006 -14.581 -7.774 1.00 24.32 C ATOM 165 CD GLU A 11 3.266 -15.889 -8.061 1.00 64.24 C ATOM 166 OE1 GLU A 11 3.841 -16.806 -8.667 1.00 74.05 O ATOM 167 OE2 GLU A 11 2.052 -15.935 -7.630 1.00 14.42 O ATOM 0 H GLU A 11 3.370 -11.467 -8.001 1.00 63.42 H new ATOM 0 HA GLU A 11 1.639 -13.751 -8.292 1.00 71.45 H new ATOM 0 HB2 GLU A 11 3.839 -12.920 -6.409 1.00 2.12 H new ATOM 0 HB3 GLU A 11 2.807 -14.278 -6.007 1.00 2.12 H new ATOM 0 HG2 GLU A 11 4.198 -14.055 -8.709 1.00 24.32 H new ATOM 0 HG3 GLU A 11 4.975 -14.798 -7.325 1.00 24.32 H new ATOM 175 N VAL A 12 1.253 -11.764 -5.680 1.00 41.35 N ATOM 176 CA VAL A 12 0.289 -11.306 -4.694 1.00 50.24 C ATOM 177 C VAL A 12 -0.967 -10.806 -5.410 1.00 15.41 C ATOM 178 O VAL A 12 -2.072 -10.908 -4.878 1.00 24.14 O ATOM 179 CB VAL A 12 0.926 -10.246 -3.793 1.00 34.01 C ATOM 180 CG1 VAL A 12 2.189 -10.786 -3.120 1.00 33.15 C ATOM 181 CG2 VAL A 12 1.226 -8.968 -4.578 1.00 3.42 C ATOM 0 H VAL A 12 2.185 -11.361 -5.584 1.00 41.35 H new ATOM 0 HA VAL A 12 -0.013 -12.127 -4.044 1.00 50.24 H new ATOM 0 HB VAL A 12 0.210 -9.997 -3.010 1.00 34.01 H new ATOM 0 HG11 VAL A 12 2.622 -10.013 -2.485 1.00 33.15 H new ATOM 0 HG12 VAL A 12 1.934 -11.654 -2.512 1.00 33.15 H new ATOM 0 HG13 VAL A 12 2.912 -11.076 -3.882 1.00 33.15 H new ATOM 0 HG21 VAL A 12 1.678 -8.231 -3.914 1.00 3.42 H new ATOM 0 HG22 VAL A 12 1.915 -9.194 -5.392 1.00 3.42 H new ATOM 0 HG23 VAL A 12 0.299 -8.567 -4.988 1.00 3.42 H new ATOM 191 N THR A 13 -0.757 -10.275 -6.606 1.00 31.23 N ATOM 192 CA THR A 13 -1.859 -9.759 -7.400 1.00 11.24 C ATOM 193 C THR A 13 -3.021 -10.754 -7.409 1.00 54.53 C ATOM 194 O THR A 13 -4.157 -10.390 -7.108 1.00 52.43 O ATOM 195 CB THR A 13 -1.325 -9.435 -8.796 1.00 64.22 C ATOM 196 OG1 THR A 13 -0.876 -8.087 -8.692 1.00 53.45 O ATOM 197 CG2 THR A 13 -2.433 -9.379 -9.849 1.00 73.41 C ATOM 0 H THR A 13 0.160 -10.191 -7.044 1.00 31.23 H new ATOM 0 HA THR A 13 -2.261 -8.842 -6.970 1.00 11.24 H new ATOM 0 HB THR A 13 -0.588 -10.184 -9.085 1.00 64.22 H new ATOM 0 HG1 THR A 13 -0.087 -8.049 -8.112 1.00 53.45 H new ATOM 0 HG21 THR A 13 -1.999 -9.146 -10.821 1.00 73.41 H new ATOM 0 HG22 THR A 13 -2.937 -10.344 -9.899 1.00 73.41 H new ATOM 0 HG23 THR A 13 -3.153 -8.607 -9.578 1.00 73.41 H new ATOM 205 N ALA A 14 -2.697 -11.990 -7.758 1.00 54.24 N ATOM 206 CA ALA A 14 -3.700 -13.040 -7.811 1.00 54.23 C ATOM 207 C ALA A 14 -4.393 -13.146 -6.451 1.00 72.33 C ATOM 208 O ALA A 14 -5.560 -13.527 -6.373 1.00 72.12 O ATOM 209 CB ALA A 14 -3.042 -14.354 -8.235 1.00 21.33 C ATOM 0 H ALA A 14 -1.754 -12.288 -8.007 1.00 54.24 H new ATOM 0 HA ALA A 14 -4.464 -12.805 -8.552 1.00 54.23 H new ATOM 0 HB1 ALA A 14 -3.795 -15.142 -8.275 1.00 21.33 H new ATOM 0 HB2 ALA A 14 -2.590 -14.234 -9.220 1.00 21.33 H new ATOM 0 HB3 ALA A 14 -2.271 -14.625 -7.513 1.00 21.33 H new ATOM 215 N ALA A 15 -3.645 -12.803 -5.413 1.00 62.03 N ATOM 216 CA ALA A 15 -4.172 -12.855 -4.060 1.00 74.24 C ATOM 217 C ALA A 15 -5.060 -11.633 -3.816 1.00 61.12 C ATOM 218 O ALA A 15 -5.984 -11.684 -3.006 1.00 21.40 O ATOM 219 CB ALA A 15 -3.015 -12.944 -3.064 1.00 2.31 C ATOM 0 H ALA A 15 -2.677 -12.488 -5.482 1.00 62.03 H new ATOM 0 HA ALA A 15 -4.789 -13.743 -3.922 1.00 74.24 H new ATOM 0 HB1 ALA A 15 -3.411 -12.983 -2.049 1.00 2.31 H new ATOM 0 HB2 ALA A 15 -2.433 -13.844 -3.261 1.00 2.31 H new ATOM 0 HB3 ALA A 15 -2.375 -12.068 -3.170 1.00 2.31 H new ATOM 225 N LEU A 16 -4.748 -10.563 -4.532 1.00 1.41 N ATOM 226 CA LEU A 16 -5.506 -9.329 -4.403 1.00 64.41 C ATOM 227 C LEU A 16 -6.803 -9.447 -5.205 1.00 51.04 C ATOM 228 O LEU A 16 -7.810 -8.832 -4.858 1.00 2.50 O ATOM 229 CB LEU A 16 -4.645 -8.128 -4.798 1.00 43.05 C ATOM 230 CG LEU A 16 -3.831 -7.486 -3.673 1.00 34.14 C ATOM 231 CD1 LEU A 16 -2.713 -6.608 -4.236 1.00 43.14 C ATOM 232 CD2 LEU A 16 -4.738 -6.713 -2.713 1.00 33.31 C ATOM 0 H LEU A 16 -3.981 -10.524 -5.203 1.00 1.41 H new ATOM 0 HA LEU A 16 -5.788 -9.161 -3.364 1.00 64.41 H new ATOM 0 HB2 LEU A 16 -3.957 -8.442 -5.583 1.00 43.05 H new ATOM 0 HB3 LEU A 16 -5.295 -7.367 -5.229 1.00 43.05 H new ATOM 0 HG LEU A 16 -3.356 -8.282 -3.099 1.00 34.14 H new ATOM 0 HD11 LEU A 16 -2.150 -6.164 -3.415 1.00 43.14 H new ATOM 0 HD12 LEU A 16 -2.045 -7.216 -4.846 1.00 43.14 H new ATOM 0 HD13 LEU A 16 -3.145 -5.817 -4.849 1.00 43.14 H new ATOM 0 HD21 LEU A 16 -4.135 -6.266 -1.923 1.00 33.31 H new ATOM 0 HD22 LEU A 16 -5.260 -5.927 -3.259 1.00 33.31 H new ATOM 0 HD23 LEU A 16 -5.466 -7.394 -2.273 1.00 33.31 H new ATOM 244 N ASP A 17 -6.737 -10.242 -6.263 1.00 51.45 N ATOM 245 CA ASP A 17 -7.894 -10.448 -7.118 1.00 11.30 C ATOM 246 C ASP A 17 -8.806 -11.503 -6.489 1.00 22.12 C ATOM 247 O ASP A 17 -10.002 -11.543 -6.771 1.00 53.12 O ATOM 248 CB ASP A 17 -7.475 -10.949 -8.501 1.00 61.12 C ATOM 249 CG ASP A 17 -8.472 -10.657 -9.625 1.00 4.44 C ATOM 250 OD1 ASP A 17 -8.094 -10.180 -10.705 1.00 70.13 O ATOM 251 OD2 ASP A 17 -9.700 -10.942 -9.352 1.00 23.12 O ATOM 0 H ASP A 17 -5.900 -10.751 -6.548 1.00 51.45 H new ATOM 0 HA ASP A 17 -8.411 -9.494 -7.222 1.00 11.30 H new ATOM 0 HB2 ASP A 17 -6.517 -10.498 -8.759 1.00 61.12 H new ATOM 0 HB3 ASP A 17 -7.316 -12.026 -8.448 1.00 61.12 H new ATOM 257 N GLY A 18 -8.205 -12.332 -5.648 1.00 33.13 N ATOM 258 CA GLY A 18 -8.948 -13.385 -4.976 1.00 52.02 C ATOM 259 C GLY A 18 -9.827 -12.811 -3.863 1.00 31.42 C ATOM 260 O GLY A 18 -10.627 -13.531 -3.265 1.00 45.55 O ATOM 0 H GLY A 18 -7.212 -12.296 -5.417 1.00 33.13 H new ATOM 0 HA2 GLY A 18 -9.569 -13.915 -5.698 1.00 52.02 H new ATOM 0 HA3 GLY A 18 -8.254 -14.114 -4.557 1.00 52.02 H new ATOM 264 N CYS A 19 -9.649 -11.522 -3.618 1.00 14.45 N ATOM 265 CA CYS A 19 -10.416 -10.843 -2.586 1.00 74.35 C ATOM 266 C CYS A 19 -11.017 -9.573 -3.192 1.00 21.00 C ATOM 267 O CYS A 19 -11.315 -8.620 -2.474 1.00 43.30 O ATOM 268 CB CYS A 19 -9.562 -10.539 -1.354 1.00 33.41 C ATOM 269 SG CYS A 19 -7.992 -9.749 -1.860 1.00 43.44 S ATOM 0 H CYS A 19 -8.985 -10.929 -4.116 1.00 14.45 H new ATOM 0 HA CYS A 19 -11.219 -11.494 -2.238 1.00 74.35 H new ATOM 0 HB2 CYS A 19 -10.107 -9.882 -0.677 1.00 33.41 H new ATOM 0 HB3 CYS A 19 -9.356 -11.460 -0.808 1.00 33.41 H new ATOM 0 HG CYS A 19 -7.237 -10.625 -2.454 1.00 43.44 H new ATOM 275 N LYS A 20 -11.177 -9.601 -4.507 1.00 30.01 N ATOM 276 CA LYS A 20 -11.737 -8.464 -5.217 1.00 43.40 C ATOM 277 C LYS A 20 -13.242 -8.394 -4.954 1.00 74.42 C ATOM 278 O LYS A 20 -13.798 -7.310 -4.791 1.00 14.54 O ATOM 279 CB LYS A 20 -11.374 -8.528 -6.702 1.00 41.20 C ATOM 280 CG LYS A 20 -11.188 -7.124 -7.282 1.00 71.32 C ATOM 281 CD LYS A 20 -11.503 -7.104 -8.779 1.00 55.33 C ATOM 282 CE LYS A 20 -13.004 -6.925 -9.021 1.00 44.11 C ATOM 283 NZ LYS A 20 -13.658 -8.239 -9.212 1.00 10.34 N ATOM 0 H LYS A 20 -10.929 -10.393 -5.099 1.00 30.01 H new ATOM 0 HA LYS A 20 -11.305 -7.534 -4.847 1.00 43.40 H new ATOM 0 HB2 LYS A 20 -10.457 -9.103 -6.831 1.00 41.20 H new ATOM 0 HB3 LYS A 20 -12.158 -9.051 -7.250 1.00 41.20 H new ATOM 0 HG2 LYS A 20 -11.838 -6.422 -6.760 1.00 71.32 H new ATOM 0 HG3 LYS A 20 -10.163 -6.791 -7.118 1.00 71.32 H new ATOM 0 HD2 LYS A 20 -10.954 -6.294 -9.259 1.00 55.33 H new ATOM 0 HD3 LYS A 20 -11.165 -8.033 -9.238 1.00 55.33 H new ATOM 0 HE2 LYS A 20 -13.456 -6.407 -8.175 1.00 44.11 H new ATOM 0 HE3 LYS A 20 -13.165 -6.301 -9.900 1.00 44.11 H new ATOM 0 HZ1 LYS A 20 -14.479 -8.130 -9.842 1.00 10.34 H new ATOM 0 HZ2 LYS A 20 -12.982 -8.905 -9.637 1.00 10.34 H new ATOM 0 HZ3 LYS A 20 -13.974 -8.606 -8.292 1.00 10.34 H new ATOM 296 N ALA A 21 -13.860 -9.566 -4.922 1.00 65.40 N ATOM 297 CA ALA A 21 -15.290 -9.653 -4.682 1.00 10.51 C ATOM 298 C ALA A 21 -15.558 -9.538 -3.180 1.00 75.00 C ATOM 299 O ALA A 21 -14.870 -10.161 -2.373 1.00 71.55 O ATOM 300 CB ALA A 21 -15.829 -10.957 -5.273 1.00 14.32 C ATOM 0 H ALA A 21 -13.396 -10.464 -5.059 1.00 65.40 H new ATOM 0 HA ALA A 21 -15.813 -8.833 -5.174 1.00 10.51 H new ATOM 0 HB1 ALA A 21 -16.902 -11.022 -5.093 1.00 14.32 H new ATOM 0 HB2 ALA A 21 -15.640 -10.976 -6.346 1.00 14.32 H new ATOM 0 HB3 ALA A 21 -15.330 -11.804 -4.802 1.00 14.32 H new ATOM 306 N ALA A 22 -16.561 -8.737 -2.850 1.00 3.12 N ATOM 307 CA ALA A 22 -16.929 -8.533 -1.459 1.00 44.40 C ATOM 308 C ALA A 22 -17.505 -9.832 -0.892 1.00 50.35 C ATOM 309 O ALA A 22 -18.457 -10.384 -1.442 1.00 22.33 O ATOM 310 CB ALA A 22 -17.912 -7.365 -1.357 1.00 72.12 C ATOM 0 H ALA A 22 -17.130 -8.222 -3.522 1.00 3.12 H new ATOM 0 HA ALA A 22 -16.053 -8.274 -0.864 1.00 44.40 H new ATOM 0 HB1 ALA A 22 -18.188 -7.212 -0.314 1.00 72.12 H new ATOM 0 HB2 ALA A 22 -17.444 -6.460 -1.745 1.00 72.12 H new ATOM 0 HB3 ALA A 22 -18.805 -7.589 -1.940 1.00 72.12 H new ATOM 316 N GLY A 23 -16.904 -10.282 0.199 1.00 10.32 N ATOM 317 CA GLY A 23 -17.346 -11.505 0.846 1.00 23.52 C ATOM 318 C GLY A 23 -16.637 -12.725 0.255 1.00 65.35 C ATOM 319 O GLY A 23 -16.828 -13.847 0.722 1.00 12.33 O ATOM 0 H GLY A 23 -16.114 -9.821 0.651 1.00 10.32 H new ATOM 0 HA2 GLY A 23 -17.147 -11.447 1.916 1.00 23.52 H new ATOM 0 HA3 GLY A 23 -18.424 -11.614 0.728 1.00 23.52 H new ATOM 323 N SER A 24 -15.832 -12.465 -0.766 1.00 31.24 N ATOM 324 CA SER A 24 -15.093 -13.528 -1.426 1.00 54.11 C ATOM 325 C SER A 24 -13.649 -13.554 -0.921 1.00 13.50 C ATOM 326 O SER A 24 -12.802 -14.242 -1.487 1.00 41.04 O ATOM 327 CB SER A 24 -15.121 -13.355 -2.946 1.00 70.40 C ATOM 328 OG SER A 24 -13.953 -13.887 -3.565 1.00 4.10 O ATOM 0 H SER A 24 -15.676 -11.534 -1.152 1.00 31.24 H new ATOM 0 HA SER A 24 -15.571 -14.478 -1.186 1.00 54.11 H new ATOM 0 HB2 SER A 24 -16.004 -13.850 -3.351 1.00 70.40 H new ATOM 0 HB3 SER A 24 -15.210 -12.296 -3.189 1.00 70.40 H new ATOM 0 HG SER A 24 -13.571 -14.587 -2.996 1.00 4.10 H new ATOM 334 N PHE A 25 -13.414 -12.795 0.139 1.00 5.32 N ATOM 335 CA PHE A 25 -12.087 -12.722 0.727 1.00 3.30 C ATOM 336 C PHE A 25 -11.845 -13.893 1.682 1.00 43.34 C ATOM 337 O PHE A 25 -12.424 -13.945 2.766 1.00 42.55 O ATOM 338 CB PHE A 25 -12.019 -11.413 1.517 1.00 62.03 C ATOM 339 CG PHE A 25 -10.968 -11.411 2.628 1.00 4.05 C ATOM 340 CD1 PHE A 25 -9.661 -11.184 2.328 1.00 24.41 C ATOM 341 CD2 PHE A 25 -11.340 -11.636 3.917 1.00 51.30 C ATOM 342 CE1 PHE A 25 -8.685 -11.183 3.360 1.00 51.42 C ATOM 343 CE2 PHE A 25 -10.364 -11.634 4.949 1.00 55.22 C ATOM 344 CZ PHE A 25 -9.058 -11.407 4.648 1.00 25.34 C ATOM 0 H PHE A 25 -14.120 -12.225 0.606 1.00 5.32 H new ATOM 0 HA PHE A 25 -11.330 -12.764 -0.056 1.00 3.30 H new ATOM 0 HB2 PHE A 25 -11.806 -10.595 0.828 1.00 62.03 H new ATOM 0 HB3 PHE A 25 -12.997 -11.214 1.956 1.00 62.03 H new ATOM 0 HD1 PHE A 25 -9.365 -11.004 1.305 1.00 24.41 H new ATOM 0 HD2 PHE A 25 -12.378 -11.816 4.156 1.00 51.30 H new ATOM 0 HE1 PHE A 25 -7.647 -11.004 3.122 1.00 51.42 H new ATOM 0 HE2 PHE A 25 -10.659 -11.813 5.972 1.00 55.22 H new ATOM 0 HZ PHE A 25 -8.316 -11.405 5.433 1.00 25.34 H new ATOM 354 N ASP A 26 -10.988 -14.804 1.244 1.00 11.11 N ATOM 355 CA ASP A 26 -10.662 -15.971 2.046 1.00 13.11 C ATOM 356 C ASP A 26 -9.210 -15.872 2.516 1.00 65.33 C ATOM 357 O ASP A 26 -8.292 -16.259 1.793 1.00 33.43 O ATOM 358 CB ASP A 26 -10.810 -17.258 1.232 1.00 44.55 C ATOM 359 CG ASP A 26 -12.218 -17.854 1.213 1.00 15.25 C ATOM 360 OD1 ASP A 26 -13.221 -17.126 1.268 1.00 42.14 O ATOM 361 OD2 ASP A 26 -12.265 -19.141 1.139 1.00 2.13 O ATOM 0 H ASP A 26 -10.510 -14.757 0.344 1.00 11.11 H new ATOM 0 HA ASP A 26 -11.347 -16.000 2.893 1.00 13.11 H new ATOM 0 HB2 ASP A 26 -10.503 -17.058 0.205 1.00 44.55 H new ATOM 0 HB3 ASP A 26 -10.122 -18.003 1.631 1.00 44.55 H new ATOM 367 N HIS A 27 -9.045 -15.352 3.723 1.00 34.00 N ATOM 368 CA HIS A 27 -7.720 -15.198 4.298 1.00 43.44 C ATOM 369 C HIS A 27 -6.875 -16.433 3.979 1.00 33.11 C ATOM 370 O HIS A 27 -5.859 -16.335 3.293 1.00 1.05 O ATOM 371 CB HIS A 27 -7.808 -14.910 5.798 1.00 60.33 C ATOM 372 CG HIS A 27 -8.732 -15.840 6.548 1.00 53.43 C ATOM 373 ND1 HIS A 27 -8.277 -16.935 7.261 1.00 73.04 N ATOM 374 CD2 HIS A 27 -10.089 -15.825 6.689 1.00 41.32 C ATOM 375 CE1 HIS A 27 -9.322 -17.545 7.801 1.00 25.25 C ATOM 376 NE2 HIS A 27 -10.443 -16.856 7.445 1.00 14.15 N ATOM 0 H HIS A 27 -9.808 -15.032 4.319 1.00 34.00 H new ATOM 0 HA HIS A 27 -7.224 -14.336 3.851 1.00 43.44 H new ATOM 0 HB2 HIS A 27 -6.810 -14.979 6.230 1.00 60.33 H new ATOM 0 HB3 HIS A 27 -8.147 -13.884 5.941 1.00 60.33 H new ATOM 0 HD2 HIS A 27 -10.761 -15.097 6.258 1.00 41.32 H new ATOM 0 HE1 HIS A 27 -9.291 -18.433 8.416 1.00 25.25 H new ATOM 0 HE2 HIS A 27 -11.397 -17.094 7.715 1.00 14.15 H new ATOM 384 N LYS A 28 -7.328 -17.568 4.492 1.00 3.34 N ATOM 385 CA LYS A 28 -6.627 -18.821 4.271 1.00 24.14 C ATOM 386 C LYS A 28 -6.183 -18.901 2.809 1.00 22.34 C ATOM 387 O LYS A 28 -4.998 -19.072 2.525 1.00 74.20 O ATOM 388 CB LYS A 28 -7.489 -20.003 4.718 1.00 30.31 C ATOM 389 CG LYS A 28 -8.776 -20.085 3.895 1.00 71.13 C ATOM 390 CD LYS A 28 -9.773 -21.056 4.531 1.00 51.12 C ATOM 391 CE LYS A 28 -10.412 -20.445 5.780 1.00 72.34 C ATOM 392 NZ LYS A 28 -11.027 -19.138 5.460 1.00 13.53 N ATOM 0 H LYS A 28 -8.172 -17.646 5.060 1.00 3.34 H new ATOM 0 HA LYS A 28 -5.725 -18.866 4.881 1.00 24.14 H new ATOM 0 HB2 LYS A 28 -6.925 -20.930 4.611 1.00 30.31 H new ATOM 0 HB3 LYS A 28 -7.735 -19.899 5.775 1.00 30.31 H new ATOM 0 HG2 LYS A 28 -9.226 -19.095 3.817 1.00 71.13 H new ATOM 0 HG3 LYS A 28 -8.543 -20.410 2.881 1.00 71.13 H new ATOM 0 HD2 LYS A 28 -10.549 -21.311 3.809 1.00 51.12 H new ATOM 0 HD3 LYS A 28 -9.265 -21.984 4.795 1.00 51.12 H new ATOM 0 HE2 LYS A 28 -11.168 -21.122 6.177 1.00 72.34 H new ATOM 0 HE3 LYS A 28 -9.658 -20.318 6.557 1.00 72.34 H new ATOM 0 HZ1 LYS A 28 -11.764 -18.920 6.161 1.00 13.53 H new ATOM 0 HZ2 LYS A 28 -10.298 -18.397 5.482 1.00 13.53 H new ATOM 0 HZ3 LYS A 28 -11.452 -19.177 4.512 1.00 13.53 H new ATOM 405 N LYS A 29 -7.157 -18.774 1.921 1.00 72.13 N ATOM 406 CA LYS A 29 -6.882 -18.830 0.495 1.00 22.10 C ATOM 407 C LYS A 29 -5.708 -17.905 0.170 1.00 5.31 C ATOM 408 O LYS A 29 -4.680 -18.354 -0.334 1.00 64.14 O ATOM 409 CB LYS A 29 -8.148 -18.523 -0.308 1.00 4.54 C ATOM 410 CG LYS A 29 -9.230 -19.572 -0.048 1.00 13.05 C ATOM 411 CD LYS A 29 -8.992 -20.826 -0.891 1.00 21.23 C ATOM 412 CE LYS A 29 -9.613 -20.678 -2.281 1.00 64.22 C ATOM 413 NZ LYS A 29 -11.090 -20.666 -2.191 1.00 2.03 N ATOM 0 H LYS A 29 -8.138 -18.632 2.161 1.00 72.13 H new ATOM 0 HA LYS A 29 -6.585 -19.837 0.204 1.00 22.10 H new ATOM 0 HB2 LYS A 29 -8.522 -17.535 -0.040 1.00 4.54 H new ATOM 0 HB3 LYS A 29 -7.911 -18.496 -1.372 1.00 4.54 H new ATOM 0 HG2 LYS A 29 -9.238 -19.837 1.009 1.00 13.05 H new ATOM 0 HG3 LYS A 29 -10.210 -19.154 -0.280 1.00 13.05 H new ATOM 0 HD2 LYS A 29 -7.921 -21.008 -0.985 1.00 21.23 H new ATOM 0 HD3 LYS A 29 -9.420 -21.693 -0.388 1.00 21.23 H new ATOM 0 HE2 LYS A 29 -9.264 -19.756 -2.745 1.00 64.22 H new ATOM 0 HE3 LYS A 29 -9.289 -21.499 -2.920 1.00 64.22 H new ATOM 0 HZ1 LYS A 29 -11.496 -20.970 -3.099 1.00 2.03 H new ATOM 0 HZ2 LYS A 29 -11.397 -21.316 -1.439 1.00 2.03 H new ATOM 0 HZ3 LYS A 29 -11.417 -19.703 -1.971 1.00 2.03 H new ATOM 426 N PHE A 30 -5.900 -16.629 0.473 1.00 65.25 N ATOM 427 CA PHE A 30 -4.869 -15.637 0.219 1.00 51.41 C ATOM 428 C PHE A 30 -3.481 -16.193 0.542 1.00 2.53 C ATOM 429 O PHE A 30 -2.636 -16.316 -0.343 1.00 42.30 O ATOM 430 CB PHE A 30 -5.157 -14.448 1.139 1.00 64.41 C ATOM 431 CG PHE A 30 -4.627 -13.112 0.614 1.00 73.45 C ATOM 432 CD1 PHE A 30 -3.287 -12.890 0.548 1.00 71.53 C ATOM 433 CD2 PHE A 30 -5.497 -12.147 0.212 1.00 1.25 C ATOM 434 CE1 PHE A 30 -2.796 -11.651 0.060 1.00 1.42 C ATOM 435 CE2 PHE A 30 -5.006 -10.907 -0.275 1.00 43.20 C ATOM 436 CZ PHE A 30 -3.665 -10.685 -0.341 1.00 15.12 C ATOM 0 H PHE A 30 -6.754 -16.260 0.892 1.00 65.25 H new ATOM 0 HA PHE A 30 -4.879 -15.350 -0.832 1.00 51.41 H new ATOM 0 HB2 PHE A 30 -6.234 -14.368 1.285 1.00 64.41 H new ATOM 0 HB3 PHE A 30 -4.716 -14.643 2.117 1.00 64.41 H new ATOM 0 HD1 PHE A 30 -2.596 -13.657 0.867 1.00 71.53 H new ATOM 0 HD2 PHE A 30 -6.561 -12.324 0.263 1.00 1.25 H new ATOM 0 HE1 PHE A 30 -1.732 -11.475 0.007 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -5.697 -10.140 -0.593 1.00 43.20 H new ATOM 0 HZ PHE A 30 -3.291 -9.742 -0.712 1.00 15.12 H new ATOM 446 N PHE A 31 -3.288 -16.514 1.813 1.00 13.53 N ATOM 447 CA PHE A 31 -2.017 -17.053 2.265 1.00 60.55 C ATOM 448 C PHE A 31 -1.678 -18.349 1.524 1.00 2.14 C ATOM 449 O PHE A 31 -0.507 -18.696 1.378 1.00 21.34 O ATOM 450 CB PHE A 31 -2.164 -17.356 3.757 1.00 72.20 C ATOM 451 CG PHE A 31 -2.499 -16.131 4.610 1.00 30.23 C ATOM 452 CD1 PHE A 31 -1.672 -15.052 4.604 1.00 2.43 C ATOM 453 CD2 PHE A 31 -3.624 -16.122 5.375 1.00 44.11 C ATOM 454 CE1 PHE A 31 -1.983 -13.915 5.396 1.00 4.33 C ATOM 455 CE2 PHE A 31 -3.934 -14.985 6.167 1.00 13.00 C ATOM 456 CZ PHE A 31 -3.107 -13.905 6.161 1.00 72.41 C ATOM 0 H PHE A 31 -3.991 -16.411 2.544 1.00 13.53 H new ATOM 0 HA PHE A 31 -1.219 -16.336 2.073 1.00 60.55 H new ATOM 0 HB2 PHE A 31 -2.946 -18.104 3.890 1.00 72.20 H new ATOM 0 HB3 PHE A 31 -1.236 -17.797 4.121 1.00 72.20 H new ATOM 0 HD1 PHE A 31 -0.779 -15.060 3.997 1.00 2.43 H new ATOM 0 HD2 PHE A 31 -4.281 -16.979 5.380 1.00 44.11 H new ATOM 0 HE1 PHE A 31 -1.326 -13.058 5.391 1.00 4.33 H new ATOM 0 HE2 PHE A 31 -4.827 -14.978 6.775 1.00 13.00 H new ATOM 0 HZ PHE A 31 -3.343 -13.040 6.763 1.00 72.41 H new ATOM 466 N LYS A 32 -2.723 -19.028 1.077 1.00 75.40 N ATOM 467 CA LYS A 32 -2.551 -20.278 0.356 1.00 51.14 C ATOM 468 C LYS A 32 -2.197 -19.976 -1.102 1.00 2.22 C ATOM 469 O LYS A 32 -1.680 -20.838 -1.811 1.00 35.35 O ATOM 470 CB LYS A 32 -3.788 -21.165 0.517 1.00 45.41 C ATOM 471 CG LYS A 32 -3.753 -21.917 1.849 1.00 50.50 C ATOM 472 CD LYS A 32 -5.164 -22.307 2.295 1.00 44.21 C ATOM 473 CE LYS A 32 -5.571 -23.658 1.705 1.00 71.24 C ATOM 474 NZ LYS A 32 -5.994 -23.502 0.295 1.00 43.31 N ATOM 0 H LYS A 32 -3.693 -18.737 1.200 1.00 75.40 H new ATOM 0 HA LYS A 32 -1.722 -20.848 0.775 1.00 51.14 H new ATOM 0 HB2 LYS A 32 -4.688 -20.553 0.464 1.00 45.41 H new ATOM 0 HB3 LYS A 32 -3.839 -21.878 -0.306 1.00 45.41 H new ATOM 0 HG2 LYS A 32 -3.139 -22.812 1.750 1.00 50.50 H new ATOM 0 HG3 LYS A 32 -3.286 -21.293 2.611 1.00 50.50 H new ATOM 0 HD2 LYS A 32 -5.205 -22.354 3.383 1.00 44.21 H new ATOM 0 HD3 LYS A 32 -5.873 -21.541 1.982 1.00 44.21 H new ATOM 0 HE2 LYS A 32 -4.735 -24.354 1.765 1.00 71.24 H new ATOM 0 HE3 LYS A 32 -6.385 -24.086 2.290 1.00 71.24 H new ATOM 0 HZ1 LYS A 32 -6.693 -24.235 0.059 1.00 43.31 H new ATOM 0 HZ2 LYS A 32 -6.420 -22.562 0.162 1.00 43.31 H new ATOM 0 HZ3 LYS A 32 -5.167 -23.599 -0.328 1.00 43.31 H new ATOM 487 N ALA A 33 -2.488 -18.748 -1.506 1.00 34.20 N ATOM 488 CA ALA A 33 -2.207 -18.321 -2.866 1.00 72.42 C ATOM 489 C ALA A 33 -0.748 -17.871 -2.963 1.00 53.32 C ATOM 490 O ALA A 33 0.038 -18.456 -3.706 1.00 71.04 O ATOM 491 CB ALA A 33 -3.187 -17.217 -3.268 1.00 3.23 C ATOM 0 H ALA A 33 -2.916 -18.035 -0.915 1.00 34.20 H new ATOM 0 HA ALA A 33 -2.344 -19.147 -3.564 1.00 72.42 H new ATOM 0 HB1 ALA A 33 -2.976 -16.897 -4.288 1.00 3.23 H new ATOM 0 HB2 ALA A 33 -4.207 -17.597 -3.211 1.00 3.23 H new ATOM 0 HB3 ALA A 33 -3.077 -16.369 -2.592 1.00 3.23 H new ATOM 497 N CYS A 34 -0.431 -16.834 -2.202 1.00 23.13 N ATOM 498 CA CYS A 34 0.920 -16.298 -2.192 1.00 71.15 C ATOM 499 C CYS A 34 1.855 -17.363 -1.616 1.00 3.52 C ATOM 500 O CYS A 34 3.069 -17.293 -1.801 1.00 63.41 O ATOM 501 CB CYS A 34 1.002 -14.984 -1.413 1.00 55.23 C ATOM 502 SG CYS A 34 0.206 -15.176 0.224 1.00 65.44 S ATOM 0 H CYS A 34 -1.086 -16.350 -1.588 1.00 23.13 H new ATOM 0 HA CYS A 34 1.227 -16.059 -3.210 1.00 71.15 H new ATOM 0 HB2 CYS A 34 2.044 -14.690 -1.288 1.00 55.23 H new ATOM 0 HB3 CYS A 34 0.512 -14.188 -1.974 1.00 55.23 H new ATOM 0 HG CYS A 34 -1.046 -15.486 0.064 1.00 65.44 H new ATOM 508 N GLY A 35 1.255 -18.323 -0.928 1.00 54.41 N ATOM 509 CA GLY A 35 2.019 -19.400 -0.323 1.00 71.20 C ATOM 510 C GLY A 35 2.404 -19.057 1.117 1.00 25.44 C ATOM 511 O GLY A 35 2.986 -19.882 1.821 1.00 43.41 O ATOM 0 H GLY A 35 0.248 -18.377 -0.776 1.00 54.41 H new ATOM 0 HA2 GLY A 35 1.433 -20.319 -0.338 1.00 71.20 H new ATOM 0 HA3 GLY A 35 2.919 -19.586 -0.909 1.00 71.20 H new ATOM 515 N LEU A 36 2.065 -17.840 1.513 1.00 15.43 N ATOM 516 CA LEU A 36 2.368 -17.378 2.857 1.00 12.41 C ATOM 517 C LEU A 36 2.116 -18.513 3.851 1.00 25.31 C ATOM 518 O LEU A 36 2.788 -18.605 4.877 1.00 4.13 O ATOM 519 CB LEU A 36 1.588 -16.100 3.173 1.00 12.22 C ATOM 520 CG LEU A 36 2.311 -14.783 2.882 1.00 21.25 C ATOM 521 CD1 LEU A 36 1.370 -13.590 3.060 1.00 62.01 C ATOM 522 CD2 LEU A 36 3.573 -14.650 3.738 1.00 72.44 C ATOM 0 H LEU A 36 1.583 -17.159 0.927 1.00 15.43 H new ATOM 0 HA LEU A 36 3.421 -17.110 2.939 1.00 12.41 H new ATOM 0 HB2 LEU A 36 0.659 -16.115 2.603 1.00 12.22 H new ATOM 0 HB3 LEU A 36 1.315 -16.116 4.228 1.00 12.22 H new ATOM 0 HG LEU A 36 2.628 -14.790 1.839 1.00 21.25 H new ATOM 0 HD11 LEU A 36 1.909 -12.667 2.847 1.00 62.01 H new ATOM 0 HD12 LEU A 36 0.528 -13.685 2.374 1.00 62.01 H new ATOM 0 HD13 LEU A 36 1.002 -13.567 4.086 1.00 62.01 H new ATOM 0 HD21 LEU A 36 4.068 -13.706 3.512 1.00 72.44 H new ATOM 0 HD22 LEU A 36 3.301 -14.674 4.793 1.00 72.44 H new ATOM 0 HD23 LEU A 36 4.250 -15.476 3.519 1.00 72.44 H new ATOM 534 N SER A 37 1.147 -19.350 3.512 1.00 70.14 N ATOM 535 CA SER A 37 0.799 -20.476 4.361 1.00 34.14 C ATOM 536 C SER A 37 1.935 -21.501 4.364 1.00 13.11 C ATOM 537 O SER A 37 2.405 -21.909 5.425 1.00 51.11 O ATOM 538 CB SER A 37 -0.506 -21.131 3.901 1.00 5.52 C ATOM 539 OG SER A 37 -0.654 -22.449 4.421 1.00 3.04 O ATOM 0 H SER A 37 0.592 -19.271 2.660 1.00 70.14 H new ATOM 0 HA SER A 37 0.650 -20.106 5.375 1.00 34.14 H new ATOM 0 HB2 SER A 37 -1.350 -20.519 4.219 1.00 5.52 H new ATOM 0 HB3 SER A 37 -0.530 -21.166 2.812 1.00 5.52 H new ATOM 0 HG SER A 37 -0.580 -22.426 5.398 1.00 3.04 H new ATOM 545 N GLY A 38 2.343 -21.887 3.164 1.00 32.34 N ATOM 546 CA GLY A 38 3.415 -22.857 3.015 1.00 51.31 C ATOM 547 C GLY A 38 4.784 -22.181 3.118 1.00 13.21 C ATOM 548 O GLY A 38 5.816 -22.845 3.034 1.00 53.45 O ATOM 0 H GLY A 38 1.951 -21.546 2.286 1.00 32.34 H new ATOM 0 HA2 GLY A 38 3.326 -23.624 3.784 1.00 51.31 H new ATOM 0 HA3 GLY A 38 3.325 -23.359 2.052 1.00 51.31 H new ATOM 552 N LYS A 39 4.748 -20.869 3.299 1.00 0.25 N ATOM 553 CA LYS A 39 5.973 -20.096 3.415 1.00 11.31 C ATOM 554 C LYS A 39 6.676 -20.455 4.726 1.00 15.30 C ATOM 555 O LYS A 39 6.274 -21.393 5.413 1.00 42.21 O ATOM 556 CB LYS A 39 5.680 -18.602 3.263 1.00 12.35 C ATOM 557 CG LYS A 39 5.613 -18.203 1.788 1.00 74.23 C ATOM 558 CD LYS A 39 6.915 -18.553 1.065 1.00 22.44 C ATOM 559 CE LYS A 39 7.194 -17.567 -0.071 1.00 22.43 C ATOM 560 NZ LYS A 39 8.051 -18.194 -1.102 1.00 75.23 N ATOM 0 H LYS A 39 3.890 -20.322 3.368 1.00 0.25 H new ATOM 0 HA LYS A 39 6.659 -20.347 2.606 1.00 11.31 H new ATOM 0 HB2 LYS A 39 4.736 -18.362 3.752 1.00 12.35 H new ATOM 0 HB3 LYS A 39 6.455 -18.023 3.765 1.00 12.35 H new ATOM 0 HG2 LYS A 39 4.778 -18.713 1.307 1.00 74.23 H new ATOM 0 HG3 LYS A 39 5.424 -17.133 1.705 1.00 74.23 H new ATOM 0 HD2 LYS A 39 7.743 -18.541 1.774 1.00 22.44 H new ATOM 0 HD3 LYS A 39 6.852 -19.565 0.666 1.00 22.44 H new ATOM 0 HE2 LYS A 39 6.254 -17.243 -0.518 1.00 22.43 H new ATOM 0 HE3 LYS A 39 7.683 -16.676 0.324 1.00 22.43 H new ATOM 0 HZ1 LYS A 39 8.231 -17.512 -1.866 1.00 75.23 H new ATOM 0 HZ2 LYS A 39 8.955 -18.481 -0.675 1.00 75.23 H new ATOM 0 HZ3 LYS A 39 7.571 -19.030 -1.491 1.00 75.23 H new ATOM 573 N SER A 40 7.712 -19.689 5.034 1.00 41.05 N ATOM 574 CA SER A 40 8.474 -19.914 6.250 1.00 64.51 C ATOM 575 C SER A 40 8.103 -18.867 7.302 1.00 61.32 C ATOM 576 O SER A 40 7.957 -17.688 6.984 1.00 5.23 O ATOM 577 CB SER A 40 9.978 -19.878 5.972 1.00 4.30 C ATOM 578 OG SER A 40 10.381 -20.908 5.074 1.00 73.41 O ATOM 0 H SER A 40 8.042 -18.911 4.462 1.00 41.05 H new ATOM 0 HA SER A 40 8.226 -20.905 6.630 1.00 64.51 H new ATOM 0 HB2 SER A 40 10.246 -18.908 5.554 1.00 4.30 H new ATOM 0 HB3 SER A 40 10.522 -19.982 6.911 1.00 4.30 H new ATOM 0 HG SER A 40 11.347 -20.849 4.921 1.00 73.41 H new ATOM 584 N THR A 41 7.961 -19.336 8.533 1.00 73.23 N ATOM 585 CA THR A 41 7.609 -18.455 9.633 1.00 2.03 C ATOM 586 C THR A 41 8.562 -17.259 9.684 1.00 52.12 C ATOM 587 O THR A 41 8.236 -16.225 10.266 1.00 60.42 O ATOM 588 CB THR A 41 7.605 -19.283 10.920 1.00 63.45 C ATOM 589 OG1 THR A 41 6.303 -19.862 10.956 1.00 5.30 O ATOM 590 CG2 THR A 41 7.662 -18.413 12.177 1.00 72.23 C ATOM 0 H THR A 41 8.083 -20.315 8.793 1.00 73.23 H new ATOM 0 HA THR A 41 6.613 -18.033 9.498 1.00 2.03 H new ATOM 0 HB THR A 41 8.454 -19.967 10.914 1.00 63.45 H new ATOM 0 HG1 THR A 41 6.030 -19.995 11.888 1.00 5.30 H new ATOM 0 HG21 THR A 41 7.657 -19.050 13.061 1.00 72.23 H new ATOM 0 HG22 THR A 41 8.574 -17.816 12.165 1.00 72.23 H new ATOM 0 HG23 THR A 41 6.796 -17.752 12.201 1.00 72.23 H new ATOM 598 N ASP A 42 9.720 -17.439 9.066 1.00 21.23 N ATOM 599 CA ASP A 42 10.722 -16.388 9.033 1.00 3.45 C ATOM 600 C ASP A 42 10.148 -15.164 8.316 1.00 23.04 C ATOM 601 O ASP A 42 10.004 -14.100 8.916 1.00 13.21 O ATOM 602 CB ASP A 42 11.970 -16.840 8.272 1.00 0.51 C ATOM 603 CG ASP A 42 12.903 -17.767 9.053 1.00 63.24 C ATOM 604 OD1 ASP A 42 13.072 -17.624 10.273 1.00 44.14 O ATOM 605 OD2 ASP A 42 13.478 -18.681 8.347 1.00 23.41 O ATOM 0 H ASP A 42 9.987 -18.298 8.584 1.00 21.23 H new ATOM 0 HA ASP A 42 10.994 -16.149 10.061 1.00 3.45 H new ATOM 0 HB2 ASP A 42 11.657 -17.349 7.360 1.00 0.51 H new ATOM 0 HB3 ASP A 42 12.531 -15.957 7.968 1.00 0.51 H new ATOM 611 N GLU A 43 9.837 -15.356 7.043 1.00 35.32 N ATOM 612 CA GLU A 43 9.281 -14.282 6.238 1.00 5.40 C ATOM 613 C GLU A 43 7.965 -13.790 6.844 1.00 61.25 C ATOM 614 O GLU A 43 7.684 -12.593 6.838 1.00 51.32 O ATOM 615 CB GLU A 43 9.085 -14.728 4.788 1.00 70.10 C ATOM 616 CG GLU A 43 7.755 -15.466 4.617 1.00 45.33 C ATOM 617 CD GLU A 43 7.541 -15.877 3.159 1.00 72.52 C ATOM 618 OE1 GLU A 43 8.373 -16.599 2.589 1.00 5.52 O ATOM 619 OE2 GLU A 43 6.463 -15.422 2.617 1.00 54.13 O ATOM 0 H GLU A 43 9.960 -16.240 6.549 1.00 35.32 H new ATOM 0 HA GLU A 43 9.989 -13.453 6.235 1.00 5.40 H new ATOM 0 HB2 GLU A 43 9.110 -13.859 4.130 1.00 70.10 H new ATOM 0 HB3 GLU A 43 9.907 -15.378 4.489 1.00 70.10 H new ATOM 0 HG2 GLU A 43 7.741 -16.350 5.254 1.00 45.33 H new ATOM 0 HG3 GLU A 43 6.935 -14.826 4.942 1.00 45.33 H new ATOM 627 N VAL A 44 7.193 -14.740 7.351 1.00 4.25 N ATOM 628 CA VAL A 44 5.913 -14.419 7.960 1.00 44.54 C ATOM 629 C VAL A 44 6.071 -13.182 8.847 1.00 42.14 C ATOM 630 O VAL A 44 5.310 -12.224 8.723 1.00 42.43 O ATOM 631 CB VAL A 44 5.375 -15.633 8.718 1.00 73.42 C ATOM 632 CG1 VAL A 44 4.135 -15.264 9.534 1.00 34.34 C ATOM 633 CG2 VAL A 44 5.077 -16.789 7.761 1.00 70.33 C ATOM 0 H VAL A 44 7.429 -15.732 7.353 1.00 4.25 H new ATOM 0 HA VAL A 44 5.176 -14.178 7.194 1.00 44.54 H new ATOM 0 HB VAL A 44 6.147 -15.964 9.413 1.00 73.42 H new ATOM 0 HG11 VAL A 44 3.772 -16.145 10.063 1.00 34.34 H new ATOM 0 HG12 VAL A 44 4.392 -14.488 10.255 1.00 34.34 H new ATOM 0 HG13 VAL A 44 3.356 -14.896 8.866 1.00 34.34 H new ATOM 0 HG21 VAL A 44 4.696 -17.640 8.326 1.00 70.33 H new ATOM 0 HG22 VAL A 44 4.331 -16.474 7.031 1.00 70.33 H new ATOM 0 HG23 VAL A 44 5.992 -17.078 7.243 1.00 70.33 H new ATOM 643 N LYS A 45 7.064 -13.244 9.722 1.00 41.53 N ATOM 644 CA LYS A 45 7.331 -12.141 10.629 1.00 4.41 C ATOM 645 C LYS A 45 7.644 -10.882 9.817 1.00 24.21 C ATOM 646 O LYS A 45 7.247 -9.781 10.194 1.00 14.00 O ATOM 647 CB LYS A 45 8.430 -12.520 11.624 1.00 2.40 C ATOM 648 CG LYS A 45 8.049 -13.777 12.409 1.00 45.32 C ATOM 649 CD LYS A 45 9.296 -14.508 12.911 1.00 10.14 C ATOM 650 CE LYS A 45 8.945 -15.475 14.044 1.00 41.11 C ATOM 651 NZ LYS A 45 8.832 -14.749 15.329 1.00 60.12 N ATOM 0 H LYS A 45 7.693 -14.041 9.822 1.00 41.53 H new ATOM 0 HA LYS A 45 6.449 -11.921 11.231 1.00 4.41 H new ATOM 0 HB2 LYS A 45 9.366 -12.689 11.091 1.00 2.40 H new ATOM 0 HB3 LYS A 45 8.601 -11.694 12.314 1.00 2.40 H new ATOM 0 HG2 LYS A 45 7.417 -13.505 13.255 1.00 45.32 H new ATOM 0 HG3 LYS A 45 7.463 -14.443 11.775 1.00 45.32 H new ATOM 0 HD2 LYS A 45 9.756 -15.057 12.089 1.00 10.14 H new ATOM 0 HD3 LYS A 45 10.031 -13.783 13.261 1.00 10.14 H new ATOM 0 HE2 LYS A 45 8.005 -15.980 13.821 1.00 41.11 H new ATOM 0 HE3 LYS A 45 9.711 -16.247 14.122 1.00 41.11 H new ATOM 0 HZ1 LYS A 45 8.593 -15.420 16.087 1.00 60.12 H new ATOM 0 HZ2 LYS A 45 9.738 -14.287 15.548 1.00 60.12 H new ATOM 0 HZ3 LYS A 45 8.085 -14.029 15.256 1.00 60.12 H new ATOM 664 N LYS A 46 8.354 -11.088 8.718 1.00 44.45 N ATOM 665 CA LYS A 46 8.725 -9.983 7.849 1.00 23.21 C ATOM 666 C LYS A 46 7.493 -9.514 7.074 1.00 52.34 C ATOM 667 O LYS A 46 7.459 -8.389 6.577 1.00 50.03 O ATOM 668 CB LYS A 46 9.902 -10.377 6.954 1.00 72.52 C ATOM 669 CG LYS A 46 10.989 -11.091 7.760 1.00 42.21 C ATOM 670 CD LYS A 46 12.374 -10.832 7.162 1.00 74.31 C ATOM 671 CE LYS A 46 13.023 -9.600 7.795 1.00 31.22 C ATOM 672 NZ LYS A 46 12.295 -8.372 7.405 1.00 34.21 N ATOM 0 H LYS A 46 8.682 -12.003 8.409 1.00 44.45 H new ATOM 0 HA LYS A 46 9.073 -9.135 8.438 1.00 23.21 H new ATOM 0 HB2 LYS A 46 9.552 -11.028 6.153 1.00 72.52 H new ATOM 0 HB3 LYS A 46 10.319 -9.487 6.483 1.00 72.52 H new ATOM 0 HG2 LYS A 46 10.965 -10.747 8.794 1.00 42.21 H new ATOM 0 HG3 LYS A 46 10.790 -12.163 7.776 1.00 42.21 H new ATOM 0 HD2 LYS A 46 13.010 -11.703 7.318 1.00 74.31 H new ATOM 0 HD3 LYS A 46 12.288 -10.689 6.085 1.00 74.31 H new ATOM 0 HE2 LYS A 46 13.024 -9.700 8.880 1.00 31.22 H new ATOM 0 HE3 LYS A 46 14.064 -9.528 7.480 1.00 31.22 H new ATOM 0 HZ1 LYS A 46 12.856 -7.537 7.669 1.00 34.21 H new ATOM 0 HZ2 LYS A 46 12.138 -8.373 6.377 1.00 34.21 H new ATOM 0 HZ3 LYS A 46 11.378 -8.342 7.895 1.00 34.21 H new ATOM 685 N ALA A 47 6.510 -10.399 6.994 1.00 24.03 N ATOM 686 CA ALA A 47 5.279 -10.089 6.288 1.00 70.32 C ATOM 687 C ALA A 47 4.369 -9.260 7.197 1.00 64.14 C ATOM 688 O ALA A 47 3.658 -8.373 6.727 1.00 62.32 O ATOM 689 CB ALA A 47 4.615 -11.388 5.826 1.00 13.11 C ATOM 0 H ALA A 47 6.541 -11.331 7.407 1.00 24.03 H new ATOM 0 HA ALA A 47 5.486 -9.494 5.399 1.00 70.32 H new ATOM 0 HB1 ALA A 47 3.691 -11.156 5.296 1.00 13.11 H new ATOM 0 HB2 ALA A 47 5.290 -11.925 5.160 1.00 13.11 H new ATOM 0 HB3 ALA A 47 4.390 -12.010 6.693 1.00 13.11 H new ATOM 695 N PHE A 48 4.422 -9.578 8.482 1.00 72.03 N ATOM 696 CA PHE A 48 3.611 -8.873 9.461 1.00 64.53 C ATOM 697 C PHE A 48 3.984 -7.391 9.516 1.00 4.41 C ATOM 698 O PHE A 48 3.190 -6.563 9.961 1.00 60.34 O ATOM 699 CB PHE A 48 3.899 -9.511 10.821 1.00 2.24 C ATOM 700 CG PHE A 48 3.100 -8.902 11.975 1.00 33.12 C ATOM 701 CD1 PHE A 48 1.821 -9.305 12.203 1.00 12.12 C ATOM 702 CD2 PHE A 48 3.668 -7.958 12.773 1.00 73.23 C ATOM 703 CE1 PHE A 48 1.079 -8.740 13.274 1.00 53.11 C ATOM 704 CE2 PHE A 48 2.926 -7.393 13.843 1.00 34.25 C ATOM 705 CZ PHE A 48 1.647 -7.796 14.071 1.00 33.05 C ATOM 0 H PHE A 48 5.013 -10.314 8.868 1.00 72.03 H new ATOM 0 HA PHE A 48 2.557 -8.944 9.193 1.00 64.53 H new ATOM 0 HB2 PHE A 48 3.681 -10.577 10.764 1.00 2.24 H new ATOM 0 HB3 PHE A 48 4.963 -9.415 11.038 1.00 2.24 H new ATOM 0 HD1 PHE A 48 1.370 -10.055 11.570 1.00 12.12 H new ATOM 0 HD2 PHE A 48 4.684 -7.638 12.592 1.00 73.23 H new ATOM 0 HE1 PHE A 48 0.064 -9.060 13.455 1.00 53.11 H new ATOM 0 HE2 PHE A 48 3.377 -6.643 14.476 1.00 34.25 H new ATOM 0 HZ PHE A 48 1.083 -7.366 14.885 1.00 33.05 H new ATOM 715 N ALA A 49 5.193 -7.100 9.058 1.00 2.24 N ATOM 716 CA ALA A 49 5.681 -5.731 9.050 1.00 22.23 C ATOM 717 C ALA A 49 5.225 -5.039 7.764 1.00 20.32 C ATOM 718 O ALA A 49 5.321 -3.819 7.644 1.00 50.11 O ATOM 719 CB ALA A 49 7.203 -5.731 9.204 1.00 4.23 C ATOM 0 H ALA A 49 5.849 -7.789 8.690 1.00 2.24 H new ATOM 0 HA ALA A 49 5.268 -5.171 9.889 1.00 22.23 H new ATOM 0 HB1 ALA A 49 7.569 -4.704 9.198 1.00 4.23 H new ATOM 0 HB2 ALA A 49 7.473 -6.207 10.146 1.00 4.23 H new ATOM 0 HB3 ALA A 49 7.652 -6.281 8.377 1.00 4.23 H new ATOM 725 N ILE A 50 4.738 -5.849 6.835 1.00 5.01 N ATOM 726 CA ILE A 50 4.267 -5.330 5.562 1.00 22.04 C ATOM 727 C ILE A 50 2.965 -4.558 5.782 1.00 10.42 C ATOM 728 O ILE A 50 2.884 -3.370 5.473 1.00 11.33 O ATOM 729 CB ILE A 50 4.148 -6.458 4.535 1.00 15.42 C ATOM 730 CG1 ILE A 50 5.452 -7.250 4.437 1.00 65.42 C ATOM 731 CG2 ILE A 50 3.702 -5.916 3.175 1.00 1.35 C ATOM 732 CD1 ILE A 50 6.530 -6.444 3.709 1.00 61.41 C ATOM 0 H ILE A 50 4.659 -6.861 6.939 1.00 5.01 H new ATOM 0 HA ILE A 50 4.988 -4.627 5.146 1.00 22.04 H new ATOM 0 HB ILE A 50 3.377 -7.149 4.875 1.00 15.42 H new ATOM 0 HG12 ILE A 50 5.800 -7.509 5.437 1.00 65.42 H new ATOM 0 HG13 ILE A 50 5.274 -8.186 3.908 1.00 65.42 H new ATOM 0 HG21 ILE A 50 3.625 -6.738 2.463 1.00 1.35 H new ATOM 0 HG22 ILE A 50 2.731 -5.432 3.277 1.00 1.35 H new ATOM 0 HG23 ILE A 50 4.432 -5.191 2.815 1.00 1.35 H new ATOM 0 HD11 ILE A 50 7.447 -7.030 3.653 1.00 61.41 H new ATOM 0 HD12 ILE A 50 6.189 -6.207 2.701 1.00 61.41 H new ATOM 0 HD13 ILE A 50 6.723 -5.520 4.253 1.00 61.41 H new ATOM 744 N ILE A 51 1.978 -5.264 6.314 1.00 2.43 N ATOM 745 CA ILE A 51 0.684 -4.659 6.579 1.00 34.21 C ATOM 746 C ILE A 51 0.831 -3.611 7.684 1.00 23.42 C ATOM 747 O ILE A 51 0.733 -2.413 7.425 1.00 2.14 O ATOM 748 CB ILE A 51 -0.358 -5.737 6.888 1.00 4.34 C ATOM 749 CG1 ILE A 51 -0.131 -6.981 6.027 1.00 34.03 C ATOM 750 CG2 ILE A 51 -1.777 -5.186 6.739 1.00 73.34 C ATOM 751 CD1 ILE A 51 0.298 -8.172 6.887 1.00 44.25 C ATOM 0 H ILE A 51 2.049 -6.249 6.569 1.00 2.43 H new ATOM 0 HA ILE A 51 0.319 -4.139 5.694 1.00 34.21 H new ATOM 0 HB ILE A 51 -0.239 -6.040 7.928 1.00 4.34 H new ATOM 0 HG12 ILE A 51 -1.046 -7.227 5.489 1.00 34.03 H new ATOM 0 HG13 ILE A 51 0.633 -6.775 5.278 1.00 34.03 H new ATOM 0 HG21 ILE A 51 -2.498 -5.972 6.964 1.00 73.34 H new ATOM 0 HG22 ILE A 51 -1.919 -4.355 7.430 1.00 73.34 H new ATOM 0 HG23 ILE A 51 -1.927 -4.838 5.717 1.00 73.34 H new ATOM 0 HD11 ILE A 51 0.453 -9.043 6.251 1.00 44.25 H new ATOM 0 HD12 ILE A 51 1.226 -7.931 7.405 1.00 44.25 H new ATOM 0 HD13 ILE A 51 -0.479 -8.391 7.619 1.00 44.25 H new ATOM 763 N ASP A 52 1.065 -4.101 8.893 1.00 72.52 N ATOM 764 CA ASP A 52 1.227 -3.222 10.038 1.00 30.43 C ATOM 765 C ASP A 52 2.064 -2.009 9.630 1.00 41.42 C ATOM 766 O ASP A 52 3.283 -2.107 9.496 1.00 31.24 O ATOM 767 CB ASP A 52 1.953 -3.935 11.181 1.00 44.22 C ATOM 768 CG ASP A 52 1.507 -3.526 12.586 1.00 41.51 C ATOM 769 OD1 ASP A 52 1.570 -2.344 12.957 1.00 30.11 O ATOM 770 OD2 ASP A 52 1.074 -4.491 13.323 1.00 31.32 O ATOM 0 H ASP A 52 1.146 -5.096 9.104 1.00 72.52 H new ATOM 0 HA ASP A 52 0.235 -2.919 10.374 1.00 30.43 H new ATOM 0 HB2 ASP A 52 1.808 -5.010 11.069 1.00 44.22 H new ATOM 0 HB3 ASP A 52 3.022 -3.746 11.086 1.00 44.22 H new ATOM 776 N GLN A 53 1.377 -0.892 9.442 1.00 14.35 N ATOM 777 CA GLN A 53 2.042 0.340 9.052 1.00 75.22 C ATOM 778 C GLN A 53 2.383 1.174 10.288 1.00 22.12 C ATOM 779 O GLN A 53 3.436 1.763 10.433 1.00 63.23 O ATOM 780 CB GLN A 53 1.182 1.140 8.071 1.00 32.13 C ATOM 781 CG GLN A 53 0.402 0.209 7.141 1.00 55.34 C ATOM 782 CD GLN A 53 -0.469 1.009 6.169 1.00 44.30 C ATOM 783 OE1 GLN A 53 -0.011 1.906 5.479 1.00 31.24 O ATOM 784 NE2 GLN A 53 -1.745 0.636 6.153 1.00 51.20 N ATOM 0 H GLN A 53 0.366 -0.814 9.553 1.00 14.35 H new ATOM 0 HA GLN A 53 2.971 0.083 8.544 1.00 75.22 H new ATOM 0 HB2 GLN A 53 0.488 1.773 8.623 1.00 32.13 H new ATOM 0 HB3 GLN A 53 1.817 1.801 7.481 1.00 32.13 H new ATOM 0 HG2 GLN A 53 1.097 -0.417 6.581 1.00 55.34 H new ATOM 0 HG3 GLN A 53 -0.225 -0.459 7.731 1.00 55.34 H new ATOM 0 HE21 GLN A 53 -2.062 -0.123 6.756 1.00 51.20 H new ATOM 0 HE22 GLN A 53 -2.407 1.109 5.537 1.00 51.20 H new ATOM 793 N ASP A 54 1.452 1.215 11.200 1.00 35.12 N ATOM 794 CA ASP A 54 1.666 1.990 12.455 1.00 72.50 C ATOM 795 C ASP A 54 2.648 1.248 13.367 1.00 64.40 C ATOM 796 O ASP A 54 3.221 1.894 14.243 1.00 43.02 O ATOM 797 CB ASP A 54 0.286 2.074 13.108 1.00 11.13 C ATOM 798 CG ASP A 54 -0.323 0.674 13.201 1.00 50.11 C ATOM 799 OD1 ASP A 54 0.363 -0.274 12.854 1.00 2.23 O ATOM 800 OD2 ASP A 54 -1.466 0.572 13.615 1.00 32.42 O ATOM 0 H ASP A 54 0.550 0.744 11.131 1.00 35.12 H new ATOM 0 HA ASP A 54 2.087 2.978 12.267 1.00 72.50 H new ATOM 0 HB2 ASP A 54 0.369 2.512 14.103 1.00 11.13 H new ATOM 0 HB3 ASP A 54 -0.364 2.727 12.525 1.00 11.13 H new ATOM 805 N LYS A 55 2.819 -0.050 13.159 1.00 15.23 N ATOM 806 CA LYS A 55 3.728 -0.827 13.984 1.00 44.31 C ATOM 807 C LYS A 55 3.368 -0.630 15.458 1.00 71.42 C ATOM 808 O LYS A 55 4.216 -0.787 16.334 1.00 25.23 O ATOM 809 CB LYS A 55 5.181 -0.477 13.654 1.00 21.33 C ATOM 810 CG LYS A 55 5.326 -0.064 12.188 1.00 4.55 C ATOM 811 CD LYS A 55 5.028 -1.238 11.255 1.00 71.41 C ATOM 812 CE LYS A 55 6.116 -2.309 11.355 1.00 5.24 C ATOM 813 NZ LYS A 55 5.851 -3.213 12.497 1.00 53.42 N ATOM 0 H LYS A 55 2.343 -0.583 12.431 1.00 15.23 H new ATOM 0 HA LYS A 55 3.623 -1.891 13.770 1.00 44.31 H new ATOM 0 HB2 LYS A 55 5.519 0.334 14.299 1.00 21.33 H new ATOM 0 HB3 LYS A 55 5.821 -1.335 13.859 1.00 21.33 H new ATOM 0 HG2 LYS A 55 4.646 0.760 11.970 1.00 4.55 H new ATOM 0 HG3 LYS A 55 6.337 0.301 12.008 1.00 4.55 H new ATOM 0 HD2 LYS A 55 4.061 -1.672 11.509 1.00 71.41 H new ATOM 0 HD3 LYS A 55 4.957 -0.881 10.227 1.00 71.41 H new ATOM 0 HE2 LYS A 55 6.154 -2.884 10.430 1.00 5.24 H new ATOM 0 HE3 LYS A 55 7.090 -1.836 11.477 1.00 5.24 H new ATOM 0 HZ1 LYS A 55 6.481 -2.968 13.287 1.00 53.42 H new ATOM 0 HZ2 LYS A 55 4.861 -3.110 12.799 1.00 53.42 H new ATOM 0 HZ3 LYS A 55 6.024 -4.197 12.208 1.00 53.42 H new ATOM 826 N SER A 56 2.108 -0.290 15.685 1.00 31.05 N ATOM 827 CA SER A 56 1.625 -0.071 17.038 1.00 14.41 C ATOM 828 C SER A 56 2.055 -1.228 17.942 1.00 40.13 C ATOM 829 O SER A 56 2.158 -1.066 19.157 1.00 64.23 O ATOM 830 CB SER A 56 0.103 0.083 17.061 1.00 34.01 C ATOM 831 OG SER A 56 -0.420 0.417 15.778 1.00 44.30 O ATOM 0 H SER A 56 1.407 -0.161 14.955 1.00 31.05 H new ATOM 0 HA SER A 56 2.063 0.855 17.411 1.00 14.41 H new ATOM 0 HB2 SER A 56 -0.350 -0.846 17.406 1.00 34.01 H new ATOM 0 HB3 SER A 56 -0.172 0.857 17.777 1.00 34.01 H new ATOM 0 HG SER A 56 -1.232 -0.105 15.610 1.00 44.30 H new ATOM 837 N GLY A 57 2.294 -2.370 17.314 1.00 43.55 N ATOM 838 CA GLY A 57 2.711 -3.553 18.046 1.00 62.54 C ATOM 839 C GLY A 57 1.906 -4.779 17.610 1.00 32.31 C ATOM 840 O GLY A 57 2.478 -5.795 17.217 1.00 11.15 O ATOM 0 H GLY A 57 2.207 -2.501 16.306 1.00 43.55 H new ATOM 0 HA2 GLY A 57 3.773 -3.733 17.879 1.00 62.54 H new ATOM 0 HA3 GLY A 57 2.580 -3.389 19.115 1.00 62.54 H new ATOM 844 N PHE A 58 0.590 -4.644 17.694 1.00 5.12 N ATOM 845 CA PHE A 58 -0.299 -5.728 17.314 1.00 53.23 C ATOM 846 C PHE A 58 -1.345 -5.250 16.304 1.00 62.01 C ATOM 847 O PHE A 58 -1.941 -4.189 16.478 1.00 55.51 O ATOM 848 CB PHE A 58 -1.011 -6.190 18.587 1.00 50.12 C ATOM 849 CG PHE A 58 -0.114 -6.964 19.555 1.00 72.11 C ATOM 850 CD1 PHE A 58 0.941 -6.344 20.148 1.00 41.11 C ATOM 851 CD2 PHE A 58 -0.372 -8.272 19.822 1.00 31.35 C ATOM 852 CE1 PHE A 58 1.773 -7.062 21.046 1.00 24.44 C ATOM 853 CE2 PHE A 58 0.460 -8.991 20.721 1.00 43.21 C ATOM 854 CZ PHE A 58 1.516 -8.371 21.314 1.00 55.31 C ATOM 0 H PHE A 58 0.119 -3.800 18.020 1.00 5.12 H new ATOM 0 HA PHE A 58 0.272 -6.533 16.852 1.00 53.23 H new ATOM 0 HB2 PHE A 58 -1.416 -5.318 19.101 1.00 50.12 H new ATOM 0 HB3 PHE A 58 -1.857 -6.819 18.310 1.00 50.12 H new ATOM 0 HD1 PHE A 58 1.146 -5.305 19.936 1.00 41.11 H new ATOM 0 HD2 PHE A 58 -1.210 -8.764 19.350 1.00 31.35 H new ATOM 0 HE1 PHE A 58 2.611 -6.569 21.517 1.00 24.44 H new ATOM 0 HE2 PHE A 58 0.254 -10.030 20.934 1.00 43.21 H new ATOM 0 HZ PHE A 58 2.150 -8.917 21.997 1.00 55.31 H new ATOM 864 N ILE A 59 -1.535 -6.057 15.270 1.00 22.05 N ATOM 865 CA ILE A 59 -2.498 -5.730 14.233 1.00 61.13 C ATOM 866 C ILE A 59 -3.913 -5.824 14.808 1.00 45.01 C ATOM 867 O ILE A 59 -4.582 -6.844 14.655 1.00 30.54 O ATOM 868 CB ILE A 59 -2.276 -6.608 13.000 1.00 62.33 C ATOM 869 CG1 ILE A 59 -0.894 -6.360 12.392 1.00 62.43 C ATOM 870 CG2 ILE A 59 -3.396 -6.410 11.977 1.00 71.34 C ATOM 871 CD1 ILE A 59 -0.568 -7.408 11.325 1.00 53.21 C ATOM 0 H ILE A 59 -1.038 -6.936 15.129 1.00 22.05 H new ATOM 0 HA ILE A 59 -2.359 -4.703 13.894 1.00 61.13 H new ATOM 0 HB ILE A 59 -2.307 -7.651 13.314 1.00 62.33 H new ATOM 0 HG12 ILE A 59 -0.860 -5.364 11.951 1.00 62.43 H new ATOM 0 HG13 ILE A 59 -0.138 -6.387 13.176 1.00 62.43 H new ATOM 0 HG21 ILE A 59 -3.214 -7.046 11.110 1.00 71.34 H new ATOM 0 HG22 ILE A 59 -4.352 -6.676 12.428 1.00 71.34 H new ATOM 0 HG23 ILE A 59 -3.421 -5.367 11.663 1.00 71.34 H new ATOM 0 HD11 ILE A 59 0.420 -7.209 10.909 1.00 53.21 H new ATOM 0 HD12 ILE A 59 -0.579 -8.401 11.775 1.00 53.21 H new ATOM 0 HD13 ILE A 59 -1.313 -7.362 10.530 1.00 53.21 H new ATOM 883 N GLU A 60 -4.326 -4.745 15.457 1.00 23.52 N ATOM 884 CA GLU A 60 -5.649 -4.693 16.056 1.00 24.40 C ATOM 885 C GLU A 60 -6.719 -4.999 15.006 1.00 1.41 C ATOM 886 O GLU A 60 -6.438 -4.994 13.809 1.00 62.33 O ATOM 887 CB GLU A 60 -5.899 -3.336 16.715 1.00 2.34 C ATOM 888 CG GLU A 60 -4.831 -3.032 17.768 1.00 63.10 C ATOM 889 CD GLU A 60 -4.437 -1.554 17.739 1.00 12.23 C ATOM 890 OE1 GLU A 60 -5.305 -0.685 17.566 1.00 5.31 O ATOM 891 OE2 GLU A 60 -3.179 -1.321 17.906 1.00 34.10 O ATOM 0 H GLU A 60 -3.768 -3.900 15.581 1.00 23.52 H new ATOM 0 HA GLU A 60 -5.705 -5.453 16.835 1.00 24.40 H new ATOM 0 HB2 GLU A 60 -5.899 -2.554 15.956 1.00 2.34 H new ATOM 0 HB3 GLU A 60 -6.885 -3.330 17.180 1.00 2.34 H new ATOM 0 HG2 GLU A 60 -5.206 -3.293 18.758 1.00 63.10 H new ATOM 0 HG3 GLU A 60 -3.951 -3.650 17.588 1.00 63.10 H new ATOM 899 N GLU A 61 -7.924 -5.256 15.493 1.00 23.13 N ATOM 900 CA GLU A 61 -9.037 -5.563 14.612 1.00 55.22 C ATOM 901 C GLU A 61 -9.193 -4.470 13.552 1.00 4.15 C ATOM 902 O GLU A 61 -9.565 -4.752 12.415 1.00 41.25 O ATOM 903 CB GLU A 61 -10.332 -5.744 15.407 1.00 51.52 C ATOM 904 CG GLU A 61 -11.543 -5.816 14.474 1.00 62.11 C ATOM 905 CD GLU A 61 -12.121 -4.423 14.216 1.00 23.04 C ATOM 906 OE1 GLU A 61 -11.805 -3.800 13.192 1.00 64.42 O ATOM 907 OE2 GLU A 61 -12.927 -3.990 15.126 1.00 23.51 O ATOM 0 H GLU A 61 -8.154 -5.258 16.487 1.00 23.13 H new ATOM 0 HA GLU A 61 -8.825 -6.505 14.106 1.00 55.22 H new ATOM 0 HB2 GLU A 61 -10.273 -6.655 16.003 1.00 51.52 H new ATOM 0 HB3 GLU A 61 -10.454 -4.915 16.104 1.00 51.52 H new ATOM 0 HG2 GLU A 61 -11.251 -6.273 13.529 1.00 62.11 H new ATOM 0 HG3 GLU A 61 -12.308 -6.455 14.914 1.00 62.11 H new ATOM 915 N GLU A 62 -8.899 -3.245 13.964 1.00 33.22 N ATOM 916 CA GLU A 62 -9.002 -2.109 13.065 1.00 45.42 C ATOM 917 C GLU A 62 -7.957 -2.217 11.952 1.00 75.04 C ATOM 918 O GLU A 62 -8.151 -1.685 10.860 1.00 54.41 O ATOM 919 CB GLU A 62 -8.855 -0.791 13.828 1.00 44.33 C ATOM 920 CG GLU A 62 -9.894 -0.686 14.946 1.00 41.53 C ATOM 921 CD GLU A 62 -9.843 0.690 15.614 1.00 55.25 C ATOM 922 OE1 GLU A 62 -8.770 1.126 16.055 1.00 22.01 O ATOM 923 OE2 GLU A 62 -10.972 1.313 15.664 1.00 1.33 O ATOM 0 H GLU A 62 -8.590 -3.015 14.908 1.00 33.22 H new ATOM 0 HA GLU A 62 -9.992 -2.119 12.610 1.00 45.42 H new ATOM 0 HB2 GLU A 62 -7.853 -0.721 14.250 1.00 44.33 H new ATOM 0 HB3 GLU A 62 -8.970 0.046 13.140 1.00 44.33 H new ATOM 0 HG2 GLU A 62 -10.890 -0.860 14.539 1.00 41.53 H new ATOM 0 HG3 GLU A 62 -9.713 -1.462 15.690 1.00 41.53 H new ATOM 931 N GLU A 63 -6.873 -2.910 12.267 1.00 71.04 N ATOM 932 CA GLU A 63 -5.798 -3.095 11.307 1.00 71.05 C ATOM 933 C GLU A 63 -6.081 -4.310 10.421 1.00 61.03 C ATOM 934 O GLU A 63 -5.691 -4.337 9.254 1.00 3.45 O ATOM 935 CB GLU A 63 -4.449 -3.235 12.014 1.00 1.33 C ATOM 936 CG GLU A 63 -3.836 -1.863 12.301 1.00 4.41 C ATOM 937 CD GLU A 63 -2.635 -1.985 13.242 1.00 51.52 C ATOM 938 OE1 GLU A 63 -2.842 -1.772 14.456 1.00 22.21 O ATOM 939 OE2 GLU A 63 -1.538 -2.287 12.725 1.00 22.42 O ATOM 0 H GLU A 63 -6.716 -3.350 13.174 1.00 71.04 H new ATOM 0 HA GLU A 63 -5.748 -2.210 10.672 1.00 71.05 H new ATOM 0 HB2 GLU A 63 -4.579 -3.782 12.948 1.00 1.33 H new ATOM 0 HB3 GLU A 63 -3.768 -3.819 11.394 1.00 1.33 H new ATOM 0 HG2 GLU A 63 -3.524 -1.397 11.366 1.00 4.41 H new ATOM 0 HG3 GLU A 63 -4.587 -1.211 12.747 1.00 4.41 H new ATOM 946 N LEU A 64 -6.757 -5.286 11.008 1.00 31.22 N ATOM 947 CA LEU A 64 -7.097 -6.501 10.287 1.00 44.02 C ATOM 948 C LEU A 64 -7.776 -6.132 8.967 1.00 54.13 C ATOM 949 O LEU A 64 -7.347 -6.569 7.900 1.00 40.50 O ATOM 950 CB LEU A 64 -7.931 -7.432 11.169 1.00 64.43 C ATOM 951 CG LEU A 64 -7.146 -8.452 11.998 1.00 53.44 C ATOM 952 CD1 LEU A 64 -8.067 -9.194 12.968 1.00 1.55 C ATOM 953 CD2 LEU A 64 -6.372 -9.413 11.094 1.00 25.23 C ATOM 0 H LEU A 64 -7.079 -5.260 11.976 1.00 31.22 H new ATOM 0 HA LEU A 64 -6.196 -7.061 10.037 1.00 44.02 H new ATOM 0 HB2 LEU A 64 -8.525 -6.821 11.849 1.00 64.43 H new ATOM 0 HB3 LEU A 64 -8.631 -7.973 10.532 1.00 64.43 H new ATOM 0 HG LEU A 64 -6.413 -7.913 12.598 1.00 53.44 H new ATOM 0 HD11 LEU A 64 -7.485 -9.913 13.545 1.00 1.55 H new ATOM 0 HD12 LEU A 64 -8.534 -8.479 13.645 1.00 1.55 H new ATOM 0 HD13 LEU A 64 -8.839 -9.720 12.406 1.00 1.55 H new ATOM 0 HD21 LEU A 64 -5.823 -10.127 11.708 1.00 25.23 H new ATOM 0 HD22 LEU A 64 -7.070 -9.949 10.450 1.00 25.23 H new ATOM 0 HD23 LEU A 64 -5.671 -8.849 10.479 1.00 25.23 H new ATOM 965 N LYS A 65 -8.826 -5.332 9.082 1.00 40.40 N ATOM 966 CA LYS A 65 -9.569 -4.899 7.911 1.00 53.11 C ATOM 967 C LYS A 65 -8.606 -4.264 6.906 1.00 24.32 C ATOM 968 O LYS A 65 -8.915 -4.168 5.720 1.00 50.33 O ATOM 969 CB LYS A 65 -10.725 -3.982 8.318 1.00 23.32 C ATOM 970 CG LYS A 65 -10.248 -2.537 8.477 1.00 52.13 C ATOM 971 CD LYS A 65 -11.362 -1.651 9.038 1.00 51.23 C ATOM 972 CE LYS A 65 -11.804 -2.135 10.420 1.00 32.01 C ATOM 973 NZ LYS A 65 -12.323 -1.005 11.223 1.00 32.54 N ATOM 0 H LYS A 65 -9.180 -4.972 9.969 1.00 40.40 H new ATOM 0 HA LYS A 65 -10.029 -5.754 7.416 1.00 53.11 H new ATOM 0 HB2 LYS A 65 -11.513 -4.028 7.566 1.00 23.32 H new ATOM 0 HB3 LYS A 65 -11.158 -4.331 9.255 1.00 23.32 H new ATOM 0 HG2 LYS A 65 -9.384 -2.506 9.141 1.00 52.13 H new ATOM 0 HG3 LYS A 65 -9.921 -2.150 7.512 1.00 52.13 H new ATOM 0 HD2 LYS A 65 -11.013 -0.620 9.104 1.00 51.23 H new ATOM 0 HD3 LYS A 65 -12.213 -1.656 8.357 1.00 51.23 H new ATOM 0 HE2 LYS A 65 -12.575 -2.899 10.315 1.00 32.01 H new ATOM 0 HE3 LYS A 65 -10.963 -2.599 10.935 1.00 32.01 H new ATOM 0 HZ1 LYS A 65 -12.619 -1.351 12.158 1.00 32.54 H new ATOM 0 HZ2 LYS A 65 -11.577 -0.290 11.338 1.00 32.54 H new ATOM 0 HZ3 LYS A 65 -13.138 -0.580 10.737 1.00 32.54 H new ATOM 986 N LEU A 66 -7.457 -3.848 7.418 1.00 22.14 N ATOM 987 CA LEU A 66 -6.446 -3.225 6.581 1.00 62.52 C ATOM 988 C LEU A 66 -5.469 -4.295 6.087 1.00 12.13 C ATOM 989 O LEU A 66 -4.308 -4.000 5.811 1.00 44.33 O ATOM 990 CB LEU A 66 -5.770 -2.072 7.325 1.00 50.23 C ATOM 991 CG LEU A 66 -6.705 -1.108 8.059 1.00 64.22 C ATOM 992 CD1 LEU A 66 -5.930 0.086 8.619 1.00 14.41 C ATOM 993 CD2 LEU A 66 -7.860 -0.670 7.156 1.00 23.22 C ATOM 0 H LEU A 66 -7.204 -3.930 8.403 1.00 22.14 H new ATOM 0 HA LEU A 66 -6.904 -2.779 5.698 1.00 62.52 H new ATOM 0 HB2 LEU A 66 -5.072 -2.492 8.049 1.00 50.23 H new ATOM 0 HB3 LEU A 66 -5.180 -1.500 6.609 1.00 50.23 H new ATOM 0 HG LEU A 66 -7.142 -1.635 8.907 1.00 64.22 H new ATOM 0 HD11 LEU A 66 -6.617 0.756 9.136 1.00 14.41 H new ATOM 0 HD12 LEU A 66 -5.173 -0.268 9.319 1.00 14.41 H new ATOM 0 HD13 LEU A 66 -5.447 0.622 7.802 1.00 14.41 H new ATOM 0 HD21 LEU A 66 -8.509 0.014 7.702 1.00 23.22 H new ATOM 0 HD22 LEU A 66 -7.462 -0.167 6.274 1.00 23.22 H new ATOM 0 HD23 LEU A 66 -8.433 -1.545 6.847 1.00 23.22 H new ATOM 1005 N PHE A 67 -5.976 -5.515 5.992 1.00 34.10 N ATOM 1006 CA PHE A 67 -5.163 -6.630 5.537 1.00 74.13 C ATOM 1007 C PHE A 67 -4.999 -6.603 4.016 1.00 64.42 C ATOM 1008 O PHE A 67 -4.383 -7.498 3.439 1.00 60.43 O ATOM 1009 CB PHE A 67 -5.898 -7.911 5.936 1.00 61.53 C ATOM 1010 CG PHE A 67 -5.277 -9.188 5.364 1.00 34.04 C ATOM 1011 CD1 PHE A 67 -4.169 -9.723 5.943 1.00 61.11 C ATOM 1012 CD2 PHE A 67 -5.834 -9.788 4.278 1.00 12.42 C ATOM 1013 CE1 PHE A 67 -3.593 -10.908 5.413 1.00 40.33 C ATOM 1014 CE2 PHE A 67 -5.258 -10.972 3.748 1.00 73.31 C ATOM 1015 CZ PHE A 67 -4.150 -11.507 4.326 1.00 23.44 C ATOM 0 H PHE A 67 -6.940 -5.756 6.222 1.00 34.10 H new ATOM 0 HA PHE A 67 -4.170 -6.574 5.984 1.00 74.13 H new ATOM 0 HB2 PHE A 67 -5.916 -7.984 7.023 1.00 61.53 H new ATOM 0 HB3 PHE A 67 -6.934 -7.842 5.603 1.00 61.53 H new ATOM 0 HD1 PHE A 67 -3.727 -9.247 6.806 1.00 61.11 H new ATOM 0 HD2 PHE A 67 -6.715 -9.364 3.819 1.00 12.42 H new ATOM 0 HE1 PHE A 67 -2.713 -11.333 5.873 1.00 40.33 H new ATOM 0 HE2 PHE A 67 -5.700 -11.448 2.885 1.00 73.31 H new ATOM 0 HZ PHE A 67 -3.712 -12.408 3.922 1.00 23.44 H new ATOM 1025 N LEU A 68 -5.560 -5.567 3.410 1.00 64.31 N ATOM 1026 CA LEU A 68 -5.482 -5.412 1.967 1.00 35.22 C ATOM 1027 C LEU A 68 -4.728 -4.123 1.637 1.00 41.12 C ATOM 1028 O LEU A 68 -4.414 -3.863 0.476 1.00 14.11 O ATOM 1029 CB LEU A 68 -6.878 -5.484 1.345 1.00 35.32 C ATOM 1030 CG LEU A 68 -7.470 -6.886 1.185 1.00 63.41 C ATOM 1031 CD1 LEU A 68 -8.732 -6.854 0.320 1.00 5.34 C ATOM 1032 CD2 LEU A 68 -6.426 -7.862 0.639 1.00 62.53 C ATOM 0 H LEU A 68 -6.070 -4.827 3.892 1.00 64.31 H new ATOM 0 HA LEU A 68 -4.918 -6.234 1.525 1.00 35.22 H new ATOM 0 HB2 LEU A 68 -7.558 -4.892 1.958 1.00 35.32 H new ATOM 0 HB3 LEU A 68 -6.841 -5.013 0.363 1.00 35.32 H new ATOM 0 HG LEU A 68 -7.765 -7.247 2.170 1.00 63.41 H new ATOM 0 HD11 LEU A 68 -9.132 -7.863 0.223 1.00 5.34 H new ATOM 0 HD12 LEU A 68 -9.478 -6.212 0.788 1.00 5.34 H new ATOM 0 HD13 LEU A 68 -8.486 -6.464 -0.668 1.00 5.34 H new ATOM 0 HD21 LEU A 68 -6.872 -8.851 0.535 1.00 62.53 H new ATOM 0 HD22 LEU A 68 -6.079 -7.516 -0.334 1.00 62.53 H new ATOM 0 HD23 LEU A 68 -5.583 -7.915 1.327 1.00 62.53 H new ATOM 1044 N GLN A 69 -4.458 -3.350 2.678 1.00 1.42 N ATOM 1045 CA GLN A 69 -3.746 -2.094 2.513 1.00 0.32 C ATOM 1046 C GLN A 69 -2.235 -2.326 2.585 1.00 35.34 C ATOM 1047 O GLN A 69 -1.453 -1.382 2.487 1.00 31.33 O ATOM 1048 CB GLN A 69 -4.193 -1.069 3.557 1.00 14.50 C ATOM 1049 CG GLN A 69 -5.670 -0.712 3.377 1.00 13.32 C ATOM 1050 CD GLN A 69 -5.992 0.635 4.028 1.00 40.32 C ATOM 1051 OE1 GLN A 69 -5.204 1.200 4.769 1.00 72.11 O ATOM 1052 NE2 GLN A 69 -7.190 1.117 3.710 1.00 34.03 N ATOM 0 H GLN A 69 -4.719 -3.569 3.639 1.00 1.42 H new ATOM 0 HA GLN A 69 -3.985 -1.690 1.529 1.00 0.32 H new ATOM 0 HB2 GLN A 69 -4.031 -1.470 4.558 1.00 14.50 H new ATOM 0 HB3 GLN A 69 -3.584 -0.169 3.472 1.00 14.50 H new ATOM 0 HG2 GLN A 69 -5.912 -0.674 2.315 1.00 13.32 H new ATOM 0 HG3 GLN A 69 -6.292 -1.491 3.818 1.00 13.32 H new ATOM 0 HE21 GLN A 69 -7.801 0.593 3.084 1.00 34.03 H new ATOM 0 HE22 GLN A 69 -7.498 2.011 4.093 1.00 34.03 H new ATOM 1061 N ASN A 70 -1.871 -3.589 2.756 1.00 1.55 N ATOM 1062 CA ASN A 70 -0.468 -3.957 2.843 1.00 30.10 C ATOM 1063 C ASN A 70 0.097 -4.131 1.432 1.00 61.31 C ATOM 1064 O ASN A 70 1.180 -3.634 1.127 1.00 12.51 O ATOM 1065 CB ASN A 70 -0.291 -5.281 3.590 1.00 54.33 C ATOM 1066 CG ASN A 70 -0.804 -6.455 2.753 1.00 4.21 C ATOM 1067 OD1 ASN A 70 -0.066 -7.103 2.029 1.00 30.43 O ATOM 1068 ND2 ASN A 70 -2.105 -6.691 2.892 1.00 50.10 N ATOM 0 H ASN A 70 -2.523 -4.369 2.837 1.00 1.55 H new ATOM 0 HA ASN A 70 0.055 -3.167 3.381 1.00 30.10 H new ATOM 0 HB2 ASN A 70 0.762 -5.431 3.827 1.00 54.33 H new ATOM 0 HB3 ASN A 70 -0.828 -5.243 4.538 1.00 54.33 H new ATOM 0 HD21 ASN A 70 -2.543 -7.454 2.375 1.00 50.10 H new ATOM 0 HD22 ASN A 70 -2.665 -6.110 3.515 1.00 50.10 H new ATOM 1075 N PHE A 71 -0.662 -4.840 0.608 1.00 3.54 N ATOM 1076 CA PHE A 71 -0.250 -5.086 -0.763 1.00 51.42 C ATOM 1077 C PHE A 71 -0.574 -3.886 -1.656 1.00 73.45 C ATOM 1078 O PHE A 71 -0.368 -3.937 -2.868 1.00 55.21 O ATOM 1079 CB PHE A 71 -1.038 -6.301 -1.255 1.00 54.15 C ATOM 1080 CG PHE A 71 -0.873 -7.546 -0.381 1.00 44.25 C ATOM 1081 CD1 PHE A 71 0.347 -8.135 -0.262 1.00 23.11 C ATOM 1082 CD2 PHE A 71 -1.945 -8.063 0.276 1.00 60.03 C ATOM 1083 CE1 PHE A 71 0.501 -9.290 0.549 1.00 22.41 C ATOM 1084 CE2 PHE A 71 -1.791 -9.218 1.087 1.00 71.42 C ATOM 1085 CZ PHE A 71 -0.571 -9.808 1.206 1.00 12.34 C ATOM 0 H PHE A 71 -1.559 -5.251 0.864 1.00 3.54 H new ATOM 0 HA PHE A 71 0.826 -5.255 -0.804 1.00 51.42 H new ATOM 0 HB2 PHE A 71 -2.095 -6.040 -1.302 1.00 54.15 H new ATOM 0 HB3 PHE A 71 -0.723 -6.539 -2.271 1.00 54.15 H new ATOM 0 HD1 PHE A 71 1.198 -7.724 -0.784 1.00 23.11 H new ATOM 0 HD2 PHE A 71 -2.914 -7.595 0.181 1.00 60.03 H new ATOM 0 HE1 PHE A 71 1.470 -9.757 0.644 1.00 22.41 H new ATOM 0 HE2 PHE A 71 -2.642 -9.628 1.610 1.00 71.42 H new ATOM 0 HZ PHE A 71 -0.454 -10.687 1.822 1.00 12.34 H new ATOM 1095 N LYS A 72 -1.076 -2.836 -1.024 1.00 22.15 N ATOM 1096 CA LYS A 72 -1.430 -1.626 -1.746 1.00 34.13 C ATOM 1097 C LYS A 72 -1.866 -0.551 -0.748 1.00 72.11 C ATOM 1098 O LYS A 72 -2.407 -0.865 0.311 1.00 2.23 O ATOM 1099 CB LYS A 72 -2.478 -1.930 -2.819 1.00 22.12 C ATOM 1100 CG LYS A 72 -2.585 -0.780 -3.822 1.00 42.11 C ATOM 1101 CD LYS A 72 -1.646 -0.999 -5.010 1.00 23.31 C ATOM 1102 CE LYS A 72 -0.194 -0.715 -4.621 1.00 3.23 C ATOM 1103 NZ LYS A 72 0.504 -1.972 -4.268 1.00 42.45 N ATOM 0 H LYS A 72 -1.246 -2.798 -0.019 1.00 22.15 H new ATOM 0 HA LYS A 72 -0.565 -1.234 -2.280 1.00 34.13 H new ATOM 0 HB2 LYS A 72 -2.213 -2.849 -3.341 1.00 22.12 H new ATOM 0 HB3 LYS A 72 -3.447 -2.099 -2.349 1.00 22.12 H new ATOM 0 HG2 LYS A 72 -3.612 -0.696 -4.177 1.00 42.11 H new ATOM 0 HG3 LYS A 72 -2.340 0.161 -3.329 1.00 42.11 H new ATOM 0 HD2 LYS A 72 -1.737 -2.025 -5.365 1.00 23.31 H new ATOM 0 HD3 LYS A 72 -1.939 -0.349 -5.834 1.00 23.31 H new ATOM 0 HE2 LYS A 72 0.321 -0.226 -5.448 1.00 3.23 H new ATOM 0 HE3 LYS A 72 -0.166 -0.027 -3.776 1.00 3.23 H new ATOM 0 HZ1 LYS A 72 1.296 -1.761 -3.628 1.00 42.45 H new ATOM 0 HZ2 LYS A 72 -0.161 -2.617 -3.795 1.00 42.45 H new ATOM 0 HZ3 LYS A 72 0.868 -2.422 -5.132 1.00 42.45 H new ATOM 1116 N ALA A 73 -1.615 0.695 -1.122 1.00 64.20 N ATOM 1117 CA ALA A 73 -1.974 1.818 -0.273 1.00 51.13 C ATOM 1118 C ALA A 73 -3.284 2.430 -0.773 1.00 13.32 C ATOM 1119 O ALA A 73 -3.555 3.606 -0.534 1.00 42.21 O ATOM 1120 CB ALA A 73 -0.827 2.831 -0.254 1.00 35.24 C ATOM 0 H ALA A 73 -1.167 0.952 -2.002 1.00 64.20 H new ATOM 0 HA ALA A 73 -2.134 1.488 0.753 1.00 51.13 H new ATOM 0 HB1 ALA A 73 -1.096 3.674 0.383 1.00 35.24 H new ATOM 0 HB2 ALA A 73 0.073 2.355 0.135 1.00 35.24 H new ATOM 0 HB3 ALA A 73 -0.639 3.187 -1.267 1.00 35.24 H new ATOM 1126 N GLY A 74 -4.063 1.605 -1.457 1.00 1.10 N ATOM 1127 CA GLY A 74 -5.338 2.051 -1.992 1.00 72.42 C ATOM 1128 C GLY A 74 -6.320 0.883 -2.113 1.00 42.25 C ATOM 1129 O GLY A 74 -7.282 0.954 -2.876 1.00 35.40 O ATOM 0 H GLY A 74 -3.836 0.630 -1.653 1.00 1.10 H new ATOM 0 HA2 GLY A 74 -5.759 2.820 -1.344 1.00 72.42 H new ATOM 0 HA3 GLY A 74 -5.187 2.507 -2.971 1.00 72.42 H new ATOM 1133 N ALA A 75 -6.042 -0.163 -1.350 1.00 32.40 N ATOM 1134 CA ALA A 75 -6.889 -1.344 -1.362 1.00 62.33 C ATOM 1135 C ALA A 75 -8.014 -1.171 -0.340 1.00 4.13 C ATOM 1136 O ALA A 75 -7.848 -0.471 0.658 1.00 41.42 O ATOM 1137 CB ALA A 75 -6.038 -2.586 -1.088 1.00 4.30 C ATOM 0 H ALA A 75 -5.242 -0.218 -0.719 1.00 32.40 H new ATOM 0 HA ALA A 75 -7.351 -1.475 -2.341 1.00 62.33 H new ATOM 0 HB1 ALA A 75 -6.673 -3.472 -1.097 1.00 4.30 H new ATOM 0 HB2 ALA A 75 -5.273 -2.680 -1.859 1.00 4.30 H new ATOM 0 HB3 ALA A 75 -5.561 -2.492 -0.113 1.00 4.30 H new ATOM 1143 N ARG A 76 -9.133 -1.821 -0.623 1.00 1.21 N ATOM 1144 CA ARG A 76 -10.285 -1.747 0.260 1.00 62.22 C ATOM 1145 C ARG A 76 -9.935 -2.313 1.637 1.00 22.54 C ATOM 1146 O ARG A 76 -8.770 -2.584 1.923 1.00 25.24 O ATOM 1147 CB ARG A 76 -11.471 -2.523 -0.317 1.00 23.14 C ATOM 1148 CG ARG A 76 -11.168 -4.022 -0.379 1.00 4.45 C ATOM 1149 CD ARG A 76 -12.440 -4.847 -0.178 1.00 32.12 C ATOM 1150 NE ARG A 76 -12.135 -6.289 -0.315 1.00 52.34 N ATOM 1151 CZ ARG A 76 -12.997 -7.278 0.000 1.00 35.33 C ATOM 1152 NH1 ARG A 76 -12.620 -8.533 -0.162 1.00 44.44 N ATOM 1153 NH2 ARG A 76 -14.228 -6.989 0.475 1.00 24.54 N ATOM 0 H ARG A 76 -9.267 -2.401 -1.451 1.00 1.21 H new ATOM 0 HA ARG A 76 -10.564 -0.698 0.355 1.00 62.22 H new ATOM 0 HB2 ARG A 76 -12.355 -2.352 0.297 1.00 23.14 H new ATOM 0 HB3 ARG A 76 -11.701 -2.153 -1.316 1.00 23.14 H new ATOM 0 HG2 ARG A 76 -10.720 -4.267 -1.342 1.00 4.45 H new ATOM 0 HG3 ARG A 76 -10.437 -4.281 0.387 1.00 4.45 H new ATOM 0 HD2 ARG A 76 -12.861 -4.648 0.808 1.00 32.12 H new ATOM 0 HD3 ARG A 76 -13.192 -4.555 -0.911 1.00 32.12 H new ATOM 0 HE ARG A 76 -11.215 -6.551 -0.670 1.00 52.34 H new ATOM 0 HH11 ARG A 76 -11.689 -8.743 -0.521 1.00 44.44 H new ATOM 0 HH12 ARG A 76 -13.260 -9.292 0.072 1.00 44.44 H new ATOM 0 HH21 ARG A 76 -14.512 -6.017 0.598 1.00 24.54 H new ATOM 0 HH22 ARG A 76 -14.874 -7.743 0.711 1.00 24.54 H new ATOM 1166 N ALA A 77 -10.965 -2.476 2.454 1.00 12.44 N ATOM 1167 CA ALA A 77 -10.781 -3.005 3.795 1.00 12.31 C ATOM 1168 C ALA A 77 -11.858 -4.055 4.077 1.00 42.34 C ATOM 1169 O ALA A 77 -13.050 -3.773 3.962 1.00 64.25 O ATOM 1170 CB ALA A 77 -10.809 -1.856 4.806 1.00 64.24 C ATOM 0 H ALA A 77 -11.930 -2.251 2.213 1.00 12.44 H new ATOM 0 HA ALA A 77 -9.811 -3.495 3.884 1.00 12.31 H new ATOM 0 HB1 ALA A 77 -10.671 -2.253 5.812 1.00 64.24 H new ATOM 0 HB2 ALA A 77 -10.007 -1.153 4.580 1.00 64.24 H new ATOM 0 HB3 ALA A 77 -11.769 -1.343 4.747 1.00 64.24 H new ATOM 1176 N LEU A 78 -11.399 -5.243 4.440 1.00 32.41 N ATOM 1177 CA LEU A 78 -12.308 -6.337 4.739 1.00 52.11 C ATOM 1178 C LEU A 78 -13.506 -5.799 5.524 1.00 52.53 C ATOM 1179 O LEU A 78 -13.339 -5.027 6.467 1.00 41.44 O ATOM 1180 CB LEU A 78 -11.567 -7.471 5.450 1.00 42.14 C ATOM 1181 CG LEU A 78 -10.568 -8.257 4.598 1.00 40.24 C ATOM 1182 CD1 LEU A 78 -11.035 -8.341 3.143 1.00 33.43 C ATOM 1183 CD2 LEU A 78 -9.162 -7.664 4.714 1.00 33.14 C ATOM 0 H LEU A 78 -10.410 -5.473 4.534 1.00 32.41 H new ATOM 0 HA LEU A 78 -12.698 -6.770 3.818 1.00 52.11 H new ATOM 0 HB2 LEU A 78 -11.035 -7.052 6.304 1.00 42.14 H new ATOM 0 HB3 LEU A 78 -12.305 -8.169 5.846 1.00 42.14 H new ATOM 0 HG LEU A 78 -10.521 -9.276 4.981 1.00 40.24 H new ATOM 0 HD11 LEU A 78 -10.307 -8.905 2.559 1.00 33.43 H new ATOM 0 HD12 LEU A 78 -12.002 -8.843 3.100 1.00 33.43 H new ATOM 0 HD13 LEU A 78 -11.129 -7.336 2.732 1.00 33.43 H new ATOM 0 HD21 LEU A 78 -8.472 -8.241 4.099 1.00 33.14 H new ATOM 0 HD22 LEU A 78 -9.174 -6.629 4.372 1.00 33.14 H new ATOM 0 HD23 LEU A 78 -8.837 -7.699 5.754 1.00 33.14 H new ATOM 1195 N SER A 79 -14.688 -6.227 5.105 1.00 20.24 N ATOM 1196 CA SER A 79 -15.914 -5.798 5.757 1.00 5.14 C ATOM 1197 C SER A 79 -15.915 -6.250 7.219 1.00 22.30 C ATOM 1198 O SER A 79 -15.091 -7.072 7.619 1.00 12.41 O ATOM 1199 CB SER A 79 -17.144 -6.345 5.031 1.00 12.24 C ATOM 1200 OG SER A 79 -18.343 -5.702 5.455 1.00 54.20 O ATOM 0 H SER A 79 -14.823 -6.867 4.322 1.00 20.24 H new ATOM 0 HA SER A 79 -15.958 -4.710 5.720 1.00 5.14 H new ATOM 0 HB2 SER A 79 -17.021 -6.210 3.956 1.00 12.24 H new ATOM 0 HB3 SER A 79 -17.224 -7.417 5.211 1.00 12.24 H new ATOM 0 HG SER A 79 -19.106 -6.078 4.967 1.00 54.20 H new ATOM 1206 N ASP A 80 -16.849 -5.694 7.976 1.00 31.43 N ATOM 1207 CA ASP A 80 -16.969 -6.030 9.385 1.00 64.41 C ATOM 1208 C ASP A 80 -16.977 -7.552 9.543 1.00 75.22 C ATOM 1209 O ASP A 80 -16.638 -8.072 10.605 1.00 53.40 O ATOM 1210 CB ASP A 80 -18.272 -5.486 9.972 1.00 34.52 C ATOM 1211 CG ASP A 80 -19.498 -5.627 9.067 1.00 63.13 C ATOM 1212 OD1 ASP A 80 -20.017 -6.734 8.862 1.00 63.42 O ATOM 1213 OD2 ASP A 80 -19.926 -4.524 8.554 1.00 41.43 O ATOM 0 H ASP A 80 -17.530 -5.013 7.641 1.00 31.43 H new ATOM 0 HA ASP A 80 -16.124 -5.585 9.911 1.00 64.41 H new ATOM 0 HB2 ASP A 80 -18.472 -6.000 10.912 1.00 34.52 H new ATOM 0 HB3 ASP A 80 -18.134 -4.431 10.209 1.00 34.52 H new ATOM 1219 N ALA A 81 -17.369 -8.224 8.470 1.00 31.13 N ATOM 1220 CA ALA A 81 -17.427 -9.676 8.476 1.00 23.04 C ATOM 1221 C ALA A 81 -16.064 -10.238 8.066 1.00 1.23 C ATOM 1222 O ALA A 81 -15.419 -10.941 8.843 1.00 51.22 O ATOM 1223 CB ALA A 81 -18.553 -10.146 7.554 1.00 61.33 C ATOM 0 H ALA A 81 -17.649 -7.790 7.591 1.00 31.13 H new ATOM 0 HA ALA A 81 -17.649 -10.047 9.476 1.00 23.04 H new ATOM 0 HB1 ALA A 81 -18.596 -11.235 7.559 1.00 61.33 H new ATOM 0 HB2 ALA A 81 -19.503 -9.744 7.906 1.00 61.33 H new ATOM 0 HB3 ALA A 81 -18.363 -9.795 6.540 1.00 61.33 H new ATOM 1229 N GLU A 82 -15.666 -9.907 6.847 1.00 42.32 N ATOM 1230 CA GLU A 82 -14.391 -10.369 6.324 1.00 34.51 C ATOM 1231 C GLU A 82 -13.274 -10.099 7.333 1.00 1.24 C ATOM 1232 O GLU A 82 -12.232 -10.752 7.301 1.00 11.14 O ATOM 1233 CB GLU A 82 -14.082 -9.716 4.976 1.00 72.45 C ATOM 1234 CG GLU A 82 -15.099 -10.141 3.914 1.00 35.15 C ATOM 1235 CD GLU A 82 -16.282 -9.172 3.870 1.00 53.41 C ATOM 1236 OE1 GLU A 82 -17.358 -9.481 4.405 1.00 45.52 O ATOM 1237 OE2 GLU A 82 -16.055 -8.062 3.253 1.00 43.20 O ATOM 0 H GLU A 82 -16.204 -9.324 6.206 1.00 42.32 H new ATOM 0 HA GLU A 82 -14.456 -11.445 6.163 1.00 34.51 H new ATOM 0 HB2 GLU A 82 -14.094 -8.631 5.082 1.00 72.45 H new ATOM 0 HB3 GLU A 82 -13.078 -9.994 4.655 1.00 72.45 H new ATOM 0 HG2 GLU A 82 -14.617 -10.177 2.937 1.00 35.15 H new ATOM 0 HG3 GLU A 82 -15.457 -11.148 4.130 1.00 35.15 H new ATOM 1245 N THR A 83 -13.529 -9.135 8.206 1.00 43.43 N ATOM 1246 CA THR A 83 -12.557 -8.770 9.223 1.00 51.54 C ATOM 1247 C THR A 83 -12.765 -9.609 10.485 1.00 61.24 C ATOM 1248 O THR A 83 -11.818 -9.865 11.227 1.00 14.45 O ATOM 1249 CB THR A 83 -12.673 -7.264 9.469 1.00 52.14 C ATOM 1250 OG1 THR A 83 -12.309 -6.679 8.221 1.00 31.32 O ATOM 1251 CG2 THR A 83 -11.615 -6.747 10.445 1.00 12.24 C ATOM 0 H THR A 83 -14.394 -8.596 8.230 1.00 43.43 H new ATOM 0 HA THR A 83 -11.540 -8.983 8.893 1.00 51.54 H new ATOM 0 HB THR A 83 -13.666 -7.035 9.855 1.00 52.14 H new ATOM 0 HG1 THR A 83 -12.954 -5.979 7.987 1.00 31.32 H new ATOM 0 HG21 THR A 83 -11.742 -5.673 10.584 1.00 12.24 H new ATOM 0 HG22 THR A 83 -11.726 -7.253 11.404 1.00 12.24 H new ATOM 0 HG23 THR A 83 -10.621 -6.946 10.043 1.00 12.24 H new ATOM 1259 N LYS A 84 -14.010 -10.015 10.688 1.00 25.31 N ATOM 1260 CA LYS A 84 -14.354 -10.821 11.847 1.00 2.13 C ATOM 1261 C LYS A 84 -13.856 -12.252 11.635 1.00 45.23 C ATOM 1262 O LYS A 84 -13.348 -12.880 12.562 1.00 24.31 O ATOM 1263 CB LYS A 84 -15.853 -10.729 12.138 1.00 51.51 C ATOM 1264 CG LYS A 84 -16.142 -9.658 13.192 1.00 54.43 C ATOM 1265 CD LYS A 84 -17.646 -9.405 13.319 1.00 72.44 C ATOM 1266 CE LYS A 84 -18.327 -10.531 14.099 1.00 21.34 C ATOM 1267 NZ LYS A 84 -19.798 -10.379 14.051 1.00 33.41 N ATOM 0 H LYS A 84 -14.792 -9.801 10.070 1.00 25.31 H new ATOM 0 HA LYS A 84 -13.855 -10.438 12.738 1.00 2.13 H new ATOM 0 HB2 LYS A 84 -16.392 -10.495 11.220 1.00 51.51 H new ATOM 0 HB3 LYS A 84 -16.220 -11.695 12.486 1.00 51.51 H new ATOM 0 HG2 LYS A 84 -15.740 -9.973 14.155 1.00 54.43 H new ATOM 0 HG3 LYS A 84 -15.635 -8.731 12.922 1.00 54.43 H new ATOM 0 HD2 LYS A 84 -17.817 -8.454 13.823 1.00 72.44 H new ATOM 0 HD3 LYS A 84 -18.090 -9.325 12.327 1.00 72.44 H new ATOM 0 HE2 LYS A 84 -18.041 -11.496 13.680 1.00 21.34 H new ATOM 0 HE3 LYS A 84 -17.988 -10.520 15.135 1.00 21.34 H new ATOM 0 HZ1 LYS A 84 -20.244 -11.151 14.585 1.00 33.41 H new ATOM 0 HZ2 LYS A 84 -20.067 -9.467 14.472 1.00 33.41 H new ATOM 0 HZ3 LYS A 84 -20.118 -10.412 13.062 1.00 33.41 H new ATOM 1280 N ALA A 85 -14.018 -12.725 10.408 1.00 54.10 N ATOM 1281 CA ALA A 85 -13.591 -14.070 10.062 1.00 55.02 C ATOM 1282 C ALA A 85 -12.068 -14.161 10.172 1.00 72.11 C ATOM 1283 O ALA A 85 -11.535 -15.171 10.629 1.00 44.21 O ATOM 1284 CB ALA A 85 -14.097 -14.422 8.661 1.00 1.41 C ATOM 0 H ALA A 85 -14.439 -12.201 9.641 1.00 54.10 H new ATOM 0 HA ALA A 85 -14.015 -14.797 10.754 1.00 55.02 H new ATOM 0 HB1 ALA A 85 -13.777 -15.431 8.401 1.00 1.41 H new ATOM 0 HB2 ALA A 85 -15.186 -14.371 8.644 1.00 1.41 H new ATOM 0 HB3 ALA A 85 -13.689 -13.715 7.939 1.00 1.41 H new ATOM 1290 N PHE A 86 -11.411 -13.093 9.745 1.00 11.32 N ATOM 1291 CA PHE A 86 -9.960 -13.039 9.790 1.00 23.41 C ATOM 1292 C PHE A 86 -9.468 -12.664 11.189 1.00 2.24 C ATOM 1293 O PHE A 86 -8.293 -12.843 11.507 1.00 32.24 O ATOM 1294 CB PHE A 86 -9.521 -11.958 8.801 1.00 51.21 C ATOM 1295 CG PHE A 86 -8.008 -11.892 8.582 1.00 52.43 C ATOM 1296 CD1 PHE A 86 -7.403 -10.691 8.376 1.00 22.21 C ATOM 1297 CD2 PHE A 86 -7.269 -13.033 8.592 1.00 30.03 C ATOM 1298 CE1 PHE A 86 -5.999 -10.630 8.173 1.00 41.24 C ATOM 1299 CE2 PHE A 86 -5.865 -12.972 8.389 1.00 40.43 C ATOM 1300 CZ PHE A 86 -5.260 -11.771 8.183 1.00 24.21 C ATOM 0 H PHE A 86 -11.857 -12.258 9.366 1.00 11.32 H new ATOM 0 HA PHE A 86 -9.544 -14.014 9.537 1.00 23.41 H new ATOM 0 HB2 PHE A 86 -10.009 -12.137 7.843 1.00 51.21 H new ATOM 0 HB3 PHE A 86 -9.868 -10.989 9.160 1.00 51.21 H new ATOM 0 HD1 PHE A 86 -7.990 -9.785 8.367 1.00 22.21 H new ATOM 0 HD2 PHE A 86 -7.750 -13.986 8.754 1.00 30.03 H new ATOM 0 HE1 PHE A 86 -5.518 -9.677 8.011 1.00 41.24 H new ATOM 0 HE2 PHE A 86 -5.278 -13.878 8.398 1.00 40.43 H new ATOM 0 HZ PHE A 86 -4.192 -11.724 8.027 1.00 24.21 H new ATOM 1310 N LEU A 87 -10.391 -12.149 11.988 1.00 32.32 N ATOM 1311 CA LEU A 87 -10.066 -11.747 13.346 1.00 13.11 C ATOM 1312 C LEU A 87 -10.098 -12.975 14.259 1.00 41.44 C ATOM 1313 O LEU A 87 -9.141 -13.237 14.985 1.00 23.21 O ATOM 1314 CB LEU A 87 -10.989 -10.616 13.805 1.00 44.31 C ATOM 1315 CG LEU A 87 -10.890 -10.227 15.281 1.00 3.33 C ATOM 1316 CD1 LEU A 87 -9.475 -9.762 15.632 1.00 22.43 C ATOM 1317 CD2 LEU A 87 -11.943 -9.178 15.644 1.00 74.31 C ATOM 0 H LEU A 87 -11.364 -12.001 11.721 1.00 32.32 H new ATOM 0 HA LEU A 87 -9.055 -11.342 13.391 1.00 13.11 H new ATOM 0 HB2 LEU A 87 -10.777 -9.733 13.202 1.00 44.31 H new ATOM 0 HB3 LEU A 87 -12.018 -10.906 13.594 1.00 44.31 H new ATOM 0 HG LEU A 87 -11.097 -11.113 15.881 1.00 3.33 H new ATOM 0 HD11 LEU A 87 -9.432 -9.491 16.687 1.00 22.43 H new ATOM 0 HD12 LEU A 87 -8.768 -10.568 15.435 1.00 22.43 H new ATOM 0 HD13 LEU A 87 -9.216 -8.895 15.024 1.00 22.43 H new ATOM 0 HD21 LEU A 87 -11.850 -8.919 16.699 1.00 74.31 H new ATOM 0 HD22 LEU A 87 -11.792 -8.285 15.037 1.00 74.31 H new ATOM 0 HD23 LEU A 87 -12.938 -9.581 15.455 1.00 74.31 H new ATOM 1329 N LYS A 88 -11.209 -13.694 14.191 1.00 4.23 N ATOM 1330 CA LYS A 88 -11.377 -14.887 15.002 1.00 35.54 C ATOM 1331 C LYS A 88 -10.488 -16.004 14.451 1.00 1.41 C ATOM 1332 O LYS A 88 -10.079 -16.898 15.190 1.00 63.04 O ATOM 1333 CB LYS A 88 -12.857 -15.268 15.094 1.00 65.33 C ATOM 1334 CG LYS A 88 -13.534 -14.558 16.267 1.00 12.12 C ATOM 1335 CD LYS A 88 -15.052 -14.517 16.080 1.00 12.34 C ATOM 1336 CE LYS A 88 -15.631 -15.930 15.985 1.00 14.43 C ATOM 1337 NZ LYS A 88 -15.637 -16.394 14.580 1.00 25.10 N ATOM 0 H LYS A 88 -12.001 -13.473 13.587 1.00 4.23 H new ATOM 0 HA LYS A 88 -11.055 -14.699 16.026 1.00 35.54 H new ATOM 0 HB2 LYS A 88 -13.362 -15.005 14.165 1.00 65.33 H new ATOM 0 HB3 LYS A 88 -12.952 -16.347 15.214 1.00 65.33 H new ATOM 0 HG2 LYS A 88 -13.292 -15.073 17.197 1.00 12.12 H new ATOM 0 HG3 LYS A 88 -13.147 -13.543 16.355 1.00 12.12 H new ATOM 0 HD2 LYS A 88 -15.511 -13.988 16.915 1.00 12.34 H new ATOM 0 HD3 LYS A 88 -15.296 -13.959 15.176 1.00 12.34 H new ATOM 0 HE2 LYS A 88 -15.042 -16.613 16.597 1.00 14.43 H new ATOM 0 HE3 LYS A 88 -16.646 -15.941 16.382 1.00 14.43 H new ATOM 0 HZ1 LYS A 88 -16.525 -16.899 14.385 1.00 25.10 H new ATOM 0 HZ2 LYS A 88 -15.557 -15.575 13.944 1.00 25.10 H new ATOM 0 HZ3 LYS A 88 -14.833 -17.034 14.422 1.00 25.10 H new ATOM 1350 N ALA A 89 -10.215 -15.915 13.158 1.00 41.53 N ATOM 1351 CA ALA A 89 -9.381 -16.906 12.499 1.00 53.32 C ATOM 1352 C ALA A 89 -8.043 -17.009 13.232 1.00 5.32 C ATOM 1353 O ALA A 89 -7.730 -18.044 13.819 1.00 50.42 O ATOM 1354 CB ALA A 89 -9.212 -16.532 11.025 1.00 44.21 C ATOM 0 H ALA A 89 -10.557 -15.172 12.549 1.00 41.53 H new ATOM 0 HA ALA A 89 -9.852 -17.888 12.534 1.00 53.32 H new ATOM 0 HB1 ALA A 89 -8.586 -17.275 10.530 1.00 44.21 H new ATOM 0 HB2 ALA A 89 -10.189 -16.502 10.543 1.00 44.21 H new ATOM 0 HB3 ALA A 89 -8.740 -15.552 10.950 1.00 44.21 H new ATOM 1360 N GLY A 90 -7.288 -15.921 13.175 1.00 63.30 N ATOM 1361 CA GLY A 90 -5.990 -15.876 13.826 1.00 23.24 C ATOM 1362 C GLY A 90 -6.142 -15.744 15.343 1.00 23.32 C ATOM 1363 O GLY A 90 -5.903 -16.700 16.080 1.00 51.00 O ATOM 0 H GLY A 90 -7.551 -15.064 12.688 1.00 63.30 H new ATOM 0 HA2 GLY A 90 -5.429 -16.781 13.590 1.00 23.24 H new ATOM 0 HA3 GLY A 90 -5.414 -15.035 13.440 1.00 23.24 H new ATOM 1367 N ASP A 91 -6.538 -14.552 15.765 1.00 60.43 N ATOM 1368 CA ASP A 91 -6.725 -14.283 17.180 1.00 23.23 C ATOM 1369 C ASP A 91 -7.485 -15.447 17.820 1.00 5.34 C ATOM 1370 O ASP A 91 -8.613 -15.745 17.432 1.00 41.42 O ATOM 1371 CB ASP A 91 -7.543 -13.009 17.395 1.00 12.33 C ATOM 1372 CG ASP A 91 -7.213 -12.236 18.674 1.00 31.10 C ATOM 1373 OD1 ASP A 91 -6.148 -12.429 19.280 1.00 55.12 O ATOM 1374 OD2 ASP A 91 -8.115 -11.394 19.050 1.00 30.14 O ATOM 0 H ASP A 91 -6.735 -13.761 15.151 1.00 60.43 H new ATOM 0 HA ASP A 91 -5.741 -14.160 17.633 1.00 23.23 H new ATOM 0 HB2 ASP A 91 -7.391 -12.349 16.541 1.00 12.33 H new ATOM 0 HB3 ASP A 91 -8.601 -13.273 17.410 1.00 12.33 H new ATOM 1380 N SER A 92 -6.835 -16.073 18.791 1.00 55.10 N ATOM 1381 CA SER A 92 -7.436 -17.197 19.489 1.00 62.23 C ATOM 1382 C SER A 92 -7.995 -16.738 20.837 1.00 71.21 C ATOM 1383 O SER A 92 -9.033 -17.155 21.312 1.00 22.33 O ATOM 1384 CB SER A 92 -6.422 -18.325 19.691 1.00 41.01 C ATOM 1385 OG SER A 92 -6.904 -19.322 20.588 1.00 71.03 O ATOM 0 H SER A 92 -5.899 -15.823 19.110 1.00 55.10 H new ATOM 0 HA SER A 92 -8.252 -17.583 18.878 1.00 62.23 H new ATOM 0 HB2 SER A 92 -6.193 -18.783 18.729 1.00 41.01 H new ATOM 0 HB3 SER A 92 -5.491 -17.910 20.076 1.00 41.01 H new ATOM 0 HG SER A 92 -6.229 -20.025 20.689 1.00 71.03 H new ATOM 1391 N ASP A 93 -7.272 -15.850 21.460 1.00 45.40 N ATOM 1392 CA ASP A 93 -7.712 -15.318 22.780 1.00 11.24 C ATOM 1393 C ASP A 93 -8.901 -14.369 22.593 1.00 62.43 C ATOM 1394 O ASP A 93 -9.493 -13.982 23.599 1.00 22.30 O ATOM 1395 CB ASP A 93 -6.501 -14.560 23.326 1.00 53.23 C ATOM 1396 CG ASP A 93 -6.338 -13.242 22.567 1.00 72.14 C ATOM 1397 OD1 ASP A 93 -5.672 -12.360 23.085 1.00 61.54 O ATOM 1398 OD2 ASP A 93 -6.883 -13.134 21.480 1.00 33.12 O ATOM 0 H ASP A 93 -6.393 -15.469 21.111 1.00 45.40 H new ATOM 0 HA ASP A 93 -8.036 -16.107 23.458 1.00 11.24 H new ATOM 0 HB2 ASP A 93 -6.631 -14.365 24.391 1.00 53.23 H new ATOM 0 HB3 ASP A 93 -5.601 -15.166 23.220 1.00 53.23 H new ATOM 1403 N GLY A 94 -9.217 -14.019 21.355 1.00 71.33 N ATOM 1404 CA GLY A 94 -10.327 -13.120 21.092 1.00 54.41 C ATOM 1405 C GLY A 94 -10.206 -11.841 21.923 1.00 4.12 C ATOM 1406 O GLY A 94 -11.138 -11.467 22.633 1.00 3.14 O ATOM 0 H GLY A 94 -8.723 -14.342 20.523 1.00 71.33 H new ATOM 0 HA2 GLY A 94 -10.352 -12.868 20.032 1.00 54.41 H new ATOM 0 HA3 GLY A 94 -11.267 -13.620 21.323 1.00 54.41 H new ATOM 1410 N ASP A 95 -9.049 -11.206 21.807 1.00 2.41 N ATOM 1411 CA ASP A 95 -8.793 -9.977 22.539 1.00 11.31 C ATOM 1412 C ASP A 95 -9.058 -8.779 21.625 1.00 55.01 C ATOM 1413 O ASP A 95 -9.319 -7.675 22.102 1.00 71.44 O ATOM 1414 CB ASP A 95 -7.337 -9.904 23.002 1.00 23.42 C ATOM 1415 CG ASP A 95 -6.300 -9.892 21.877 1.00 52.22 C ATOM 1416 OD1 ASP A 95 -6.551 -10.396 20.772 1.00 24.52 O ATOM 1417 OD2 ASP A 95 -5.179 -9.326 22.174 1.00 34.53 O ATOM 0 H ASP A 95 -8.278 -11.519 21.217 1.00 2.41 H new ATOM 0 HA ASP A 95 -9.450 -9.961 23.409 1.00 11.31 H new ATOM 0 HB2 ASP A 95 -7.208 -9.005 23.604 1.00 23.42 H new ATOM 0 HB3 ASP A 95 -7.135 -10.755 23.652 1.00 23.42 H new ATOM 1423 N GLY A 96 -8.983 -9.037 20.328 1.00 70.34 N ATOM 1424 CA GLY A 96 -9.212 -7.994 19.342 1.00 21.13 C ATOM 1425 C GLY A 96 -7.899 -7.561 18.687 1.00 22.20 C ATOM 1426 O GLY A 96 -7.848 -6.537 18.008 1.00 1.31 O ATOM 0 H GLY A 96 -8.767 -9.954 19.936 1.00 70.34 H new ATOM 0 HA2 GLY A 96 -9.901 -8.355 18.579 1.00 21.13 H new ATOM 0 HA3 GLY A 96 -9.685 -7.136 19.819 1.00 21.13 H new ATOM 1430 N LYS A 97 -6.869 -8.363 18.913 1.00 21.35 N ATOM 1431 CA LYS A 97 -5.559 -8.076 18.354 1.00 52.15 C ATOM 1432 C LYS A 97 -4.963 -9.361 17.776 1.00 71.21 C ATOM 1433 O LYS A 97 -5.211 -10.451 18.291 1.00 42.44 O ATOM 1434 CB LYS A 97 -4.667 -7.399 19.396 1.00 35.04 C ATOM 1435 CG LYS A 97 -5.432 -6.304 20.144 1.00 62.51 C ATOM 1436 CD LYS A 97 -4.499 -5.517 21.066 1.00 13.32 C ATOM 1437 CE LYS A 97 -3.602 -6.458 21.873 1.00 52.15 C ATOM 1438 NZ LYS A 97 -2.339 -6.718 21.147 1.00 61.13 N ATOM 0 H LYS A 97 -6.915 -9.212 19.476 1.00 21.35 H new ATOM 0 HA LYS A 97 -5.644 -7.365 17.532 1.00 52.15 H new ATOM 0 HB2 LYS A 97 -4.302 -8.142 20.105 1.00 35.04 H new ATOM 0 HB3 LYS A 97 -3.793 -6.968 18.907 1.00 35.04 H new ATOM 0 HG2 LYS A 97 -5.898 -5.627 19.428 1.00 62.51 H new ATOM 0 HG3 LYS A 97 -6.235 -6.751 20.729 1.00 62.51 H new ATOM 0 HD2 LYS A 97 -3.883 -4.841 20.474 1.00 13.32 H new ATOM 0 HD3 LYS A 97 -5.088 -4.900 21.744 1.00 13.32 H new ATOM 0 HE2 LYS A 97 -3.385 -6.018 22.846 1.00 52.15 H new ATOM 0 HE3 LYS A 97 -4.123 -7.398 22.057 1.00 52.15 H new ATOM 0 HZ1 LYS A 97 -1.619 -7.059 21.815 1.00 61.13 H new ATOM 0 HZ2 LYS A 97 -2.501 -7.439 20.415 1.00 61.13 H new ATOM 0 HZ3 LYS A 97 -2.008 -5.839 20.700 1.00 61.13 H new ATOM 1451 N ILE A 98 -4.189 -9.191 16.714 1.00 21.52 N ATOM 1452 CA ILE A 98 -3.556 -10.324 16.061 1.00 64.40 C ATOM 1453 C ILE A 98 -2.042 -10.105 16.023 1.00 41.21 C ATOM 1454 O ILE A 98 -1.551 -9.271 15.263 1.00 20.04 O ATOM 1455 CB ILE A 98 -4.177 -10.565 14.684 1.00 40.13 C ATOM 1456 CG1 ILE A 98 -5.559 -11.210 14.811 1.00 42.44 C ATOM 1457 CG2 ILE A 98 -3.240 -11.387 13.796 1.00 55.54 C ATOM 1458 CD1 ILE A 98 -5.982 -11.863 13.494 1.00 61.24 C ATOM 0 H ILE A 98 -3.986 -8.286 16.290 1.00 21.52 H new ATOM 0 HA ILE A 98 -3.732 -11.238 16.629 1.00 64.40 H new ATOM 0 HB ILE A 98 -4.316 -9.599 14.198 1.00 40.13 H new ATOM 0 HG12 ILE A 98 -5.544 -11.958 15.604 1.00 42.44 H new ATOM 0 HG13 ILE A 98 -6.291 -10.456 15.099 1.00 42.44 H new ATOM 0 HG21 ILE A 98 -3.706 -11.544 12.823 1.00 55.54 H new ATOM 0 HG22 ILE A 98 -2.299 -10.852 13.666 1.00 55.54 H new ATOM 0 HG23 ILE A 98 -3.047 -12.351 14.266 1.00 55.54 H new ATOM 0 HD11 ILE A 98 -6.967 -12.314 13.611 1.00 61.24 H new ATOM 0 HD12 ILE A 98 -6.020 -11.108 12.709 1.00 61.24 H new ATOM 0 HD13 ILE A 98 -5.261 -12.633 13.222 1.00 61.24 H new ATOM 1470 N GLY A 99 -1.344 -10.868 16.852 1.00 54.42 N ATOM 1471 CA GLY A 99 0.103 -10.767 16.922 1.00 4.24 C ATOM 1472 C GLY A 99 0.764 -11.569 15.800 1.00 63.14 C ATOM 1473 O GLY A 99 0.108 -11.941 14.828 1.00 51.30 O ATOM 0 H GLY A 99 -1.754 -11.559 17.481 1.00 54.42 H new ATOM 0 HA2 GLY A 99 0.402 -9.721 16.851 1.00 4.24 H new ATOM 0 HA3 GLY A 99 0.450 -11.133 17.888 1.00 4.24 H new ATOM 1477 N ILE A 100 2.055 -11.813 15.971 1.00 44.45 N ATOM 1478 CA ILE A 100 2.812 -12.564 14.984 1.00 44.13 C ATOM 1479 C ILE A 100 2.625 -14.061 15.235 1.00 34.43 C ATOM 1480 O ILE A 100 2.505 -14.843 14.293 1.00 52.42 O ATOM 1481 CB ILE A 100 4.276 -12.120 14.980 1.00 45.23 C ATOM 1482 CG1 ILE A 100 4.864 -12.179 13.568 1.00 55.10 C ATOM 1483 CG2 ILE A 100 5.100 -12.937 15.978 1.00 51.44 C ATOM 1484 CD1 ILE A 100 4.677 -13.568 12.954 1.00 23.15 C ATOM 0 H ILE A 100 2.596 -11.504 16.779 1.00 44.45 H new ATOM 0 HA ILE A 100 2.438 -12.359 13.981 1.00 44.13 H new ATOM 0 HB ILE A 100 4.318 -11.080 15.303 1.00 45.23 H new ATOM 0 HG12 ILE A 100 4.382 -11.431 12.938 1.00 55.10 H new ATOM 0 HG13 ILE A 100 5.925 -11.932 13.601 1.00 55.10 H new ATOM 0 HG21 ILE A 100 6.137 -12.601 15.955 1.00 51.44 H new ATOM 0 HG22 ILE A 100 4.696 -12.800 16.981 1.00 51.44 H new ATOM 0 HG23 ILE A 100 5.055 -13.992 15.709 1.00 51.44 H new ATOM 0 HD11 ILE A 100 5.103 -13.583 11.951 1.00 23.15 H new ATOM 0 HD12 ILE A 100 5.180 -14.310 13.573 1.00 23.15 H new ATOM 0 HD13 ILE A 100 3.614 -13.802 12.900 1.00 23.15 H new ATOM 1496 N ASP A 101 2.605 -14.417 16.512 1.00 40.45 N ATOM 1497 CA ASP A 101 2.434 -15.807 16.899 1.00 51.50 C ATOM 1498 C ASP A 101 1.005 -16.249 16.576 1.00 24.31 C ATOM 1499 O ASP A 101 0.718 -17.444 16.530 1.00 73.34 O ATOM 1500 CB ASP A 101 2.658 -15.991 18.401 1.00 30.21 C ATOM 1501 CG ASP A 101 3.644 -15.007 19.033 1.00 24.35 C ATOM 1502 OD1 ASP A 101 3.244 -14.012 19.655 1.00 32.13 O ATOM 1503 OD2 ASP A 101 4.890 -15.300 18.865 1.00 15.32 O ATOM 0 H ASP A 101 2.704 -13.766 17.291 1.00 40.45 H new ATOM 0 HA ASP A 101 3.163 -16.403 16.350 1.00 51.50 H new ATOM 0 HB2 ASP A 101 1.699 -15.898 18.910 1.00 30.21 H new ATOM 0 HB3 ASP A 101 3.016 -17.005 18.578 1.00 30.21 H new ATOM 1509 N GLU A 102 0.148 -15.262 16.361 1.00 22.15 N ATOM 1510 CA GLU A 102 -1.243 -15.535 16.044 1.00 13.14 C ATOM 1511 C GLU A 102 -1.471 -15.447 14.534 1.00 64.01 C ATOM 1512 O GLU A 102 -2.222 -16.240 13.968 1.00 24.24 O ATOM 1513 CB GLU A 102 -2.174 -14.581 16.795 1.00 10.33 C ATOM 1514 CG GLU A 102 -2.503 -15.119 18.189 1.00 22.12 C ATOM 1515 CD GLU A 102 -2.856 -13.980 19.148 1.00 50.04 C ATOM 1516 OE1 GLU A 102 -3.926 -14.086 19.785 1.00 53.33 O ATOM 1517 OE2 GLU A 102 -2.048 -13.029 19.222 1.00 63.43 O ATOM 0 H GLU A 102 0.390 -14.272 16.400 1.00 22.15 H new ATOM 0 HA GLU A 102 -1.476 -16.549 16.368 1.00 13.14 H new ATOM 0 HB2 GLU A 102 -1.704 -13.601 16.881 1.00 10.33 H new ATOM 0 HB3 GLU A 102 -3.095 -14.444 16.228 1.00 10.33 H new ATOM 0 HG2 GLU A 102 -3.338 -15.817 18.125 1.00 22.12 H new ATOM 0 HG3 GLU A 102 -1.651 -15.676 18.578 1.00 22.12 H new ATOM 1524 N PHE A 103 -0.808 -14.476 13.924 1.00 41.45 N ATOM 1525 CA PHE A 103 -0.928 -14.274 12.490 1.00 53.34 C ATOM 1526 C PHE A 103 -0.117 -15.317 11.719 1.00 72.50 C ATOM 1527 O PHE A 103 -0.441 -15.642 10.577 1.00 11.45 O ATOM 1528 CB PHE A 103 -0.368 -12.883 12.185 1.00 22.11 C ATOM 1529 CG PHE A 103 -0.061 -12.646 10.705 1.00 61.31 C ATOM 1530 CD1 PHE A 103 -1.033 -12.830 9.771 1.00 3.42 C ATOM 1531 CD2 PHE A 103 1.184 -12.253 10.323 1.00 54.30 C ATOM 1532 CE1 PHE A 103 -0.748 -12.610 8.398 1.00 42.14 C ATOM 1533 CE2 PHE A 103 1.468 -12.033 8.949 1.00 24.13 C ATOM 1534 CZ PHE A 103 0.497 -12.216 8.016 1.00 74.35 C ATOM 0 H PHE A 103 -0.186 -13.820 14.397 1.00 41.45 H new ATOM 0 HA PHE A 103 -1.971 -14.368 12.188 1.00 53.34 H new ATOM 0 HB2 PHE A 103 -1.084 -12.133 12.522 1.00 22.11 H new ATOM 0 HB3 PHE A 103 0.544 -12.735 12.763 1.00 22.11 H new ATOM 0 HD1 PHE A 103 -2.021 -13.143 10.074 1.00 3.42 H new ATOM 0 HD2 PHE A 103 1.956 -12.108 11.064 1.00 54.30 H new ATOM 0 HE1 PHE A 103 -1.520 -12.755 7.656 1.00 42.14 H new ATOM 0 HE2 PHE A 103 2.456 -11.720 8.645 1.00 24.13 H new ATOM 0 HZ PHE A 103 0.714 -12.049 6.971 1.00 74.35 H new ATOM 1544 N ALA A 104 0.922 -15.815 12.374 1.00 15.20 N ATOM 1545 CA ALA A 104 1.781 -16.815 11.765 1.00 64.22 C ATOM 1546 C ALA A 104 1.190 -18.205 12.007 1.00 23.42 C ATOM 1547 O ALA A 104 1.619 -19.182 11.394 1.00 54.45 O ATOM 1548 CB ALA A 104 3.199 -16.679 12.324 1.00 41.23 C ATOM 0 H ALA A 104 1.188 -15.544 13.321 1.00 15.20 H new ATOM 0 HA ALA A 104 1.840 -16.665 10.687 1.00 64.22 H new ATOM 0 HB1 ALA A 104 3.844 -17.430 11.867 1.00 41.23 H new ATOM 0 HB2 ALA A 104 3.585 -15.684 12.100 1.00 41.23 H new ATOM 0 HB3 ALA A 104 3.180 -16.826 13.404 1.00 41.23 H new ATOM 1554 N ALA A 105 0.215 -18.251 12.903 1.00 5.23 N ATOM 1555 CA ALA A 105 -0.439 -19.505 13.234 1.00 22.35 C ATOM 1556 C ALA A 105 -1.521 -19.801 12.194 1.00 13.05 C ATOM 1557 O ALA A 105 -1.559 -20.891 11.625 1.00 14.25 O ATOM 1558 CB ALA A 105 -1.001 -19.429 14.655 1.00 2.54 C ATOM 0 H ALA A 105 -0.138 -17.439 13.410 1.00 5.23 H new ATOM 0 HA ALA A 105 0.275 -20.328 13.210 1.00 22.35 H new ATOM 0 HB1 ALA A 105 -1.492 -20.370 14.903 1.00 2.54 H new ATOM 0 HB2 ALA A 105 -0.188 -19.247 15.358 1.00 2.54 H new ATOM 0 HB3 ALA A 105 -1.724 -18.616 14.717 1.00 2.54 H new ATOM 1564 N MET A 106 -2.375 -18.811 11.978 1.00 62.12 N ATOM 1565 CA MET A 106 -3.455 -18.951 11.016 1.00 32.42 C ATOM 1566 C MET A 106 -2.919 -19.371 9.646 1.00 3.21 C ATOM 1567 O MET A 106 -3.670 -19.861 8.805 1.00 53.55 O ATOM 1568 CB MET A 106 -4.200 -17.621 10.888 1.00 73.43 C ATOM 1569 CG MET A 106 -3.246 -16.495 10.486 1.00 1.22 C ATOM 1570 SD MET A 106 -4.067 -14.917 10.634 1.00 33.13 S ATOM 1571 CE MET A 106 -5.733 -15.393 10.203 1.00 43.12 C ATOM 0 H MET A 106 -2.341 -17.909 12.453 1.00 62.12 H new ATOM 0 HA MET A 106 -4.135 -19.725 11.371 1.00 32.42 H new ATOM 0 HB2 MET A 106 -4.992 -17.714 10.145 1.00 73.43 H new ATOM 0 HB3 MET A 106 -4.679 -17.376 11.836 1.00 73.43 H new ATOM 0 HG2 MET A 106 -2.360 -16.514 11.121 1.00 1.22 H new ATOM 0 HG3 MET A 106 -2.907 -16.643 9.461 1.00 1.22 H new ATOM 0 HE1 MET A 106 -6.397 -14.535 10.314 1.00 43.12 H new ATOM 0 HE2 MET A 106 -5.757 -15.739 9.170 1.00 43.12 H new ATOM 0 HE3 MET A 106 -6.064 -16.196 10.862 1.00 43.12 H new ATOM 1581 N ILE A 107 -1.623 -19.163 9.465 1.00 62.23 N ATOM 1582 CA ILE A 107 -0.977 -19.514 8.211 1.00 0.41 C ATOM 1583 C ILE A 107 -0.241 -20.845 8.376 1.00 12.11 C ATOM 1584 O ILE A 107 -0.331 -21.719 7.515 1.00 13.13 O ATOM 1585 CB ILE A 107 -0.080 -18.370 7.733 1.00 62.33 C ATOM 1586 CG1 ILE A 107 0.873 -17.920 8.842 1.00 14.31 C ATOM 1587 CG2 ILE A 107 -0.915 -17.210 7.187 1.00 4.24 C ATOM 1588 CD1 ILE A 107 1.887 -16.903 8.315 1.00 53.24 C ATOM 0 H ILE A 107 -1.003 -18.756 10.165 1.00 62.23 H new ATOM 0 HA ILE A 107 -1.720 -19.656 7.426 1.00 0.41 H new ATOM 0 HB ILE A 107 0.535 -18.738 6.911 1.00 62.33 H new ATOM 0 HG12 ILE A 107 0.303 -17.480 9.660 1.00 14.31 H new ATOM 0 HG13 ILE A 107 1.398 -18.785 9.248 1.00 14.31 H new ATOM 0 HG21 ILE A 107 -0.253 -16.410 6.854 1.00 4.24 H new ATOM 0 HG22 ILE A 107 -1.515 -17.558 6.346 1.00 4.24 H new ATOM 0 HG23 ILE A 107 -1.572 -16.834 7.971 1.00 4.24 H new ATOM 0 HD11 ILE A 107 2.552 -16.600 9.124 1.00 53.24 H new ATOM 0 HD12 ILE A 107 2.472 -17.354 7.514 1.00 53.24 H new ATOM 0 HD13 ILE A 107 1.360 -16.029 7.932 1.00 53.24 H new ATOM 1600 N LYS A 108 0.470 -20.957 9.488 1.00 23.31 N ATOM 1601 CA LYS A 108 1.221 -22.167 9.777 1.00 22.30 C ATOM 1602 C LYS A 108 0.272 -23.367 9.765 1.00 54.23 C ATOM 1603 O LYS A 108 0.674 -24.478 9.425 1.00 23.43 O ATOM 1604 CB LYS A 108 2.002 -22.014 11.084 1.00 33.21 C ATOM 1605 CG LYS A 108 2.895 -23.231 11.335 1.00 43.43 C ATOM 1606 CD LYS A 108 4.324 -22.801 11.675 1.00 52.20 C ATOM 1607 CE LYS A 108 5.215 -22.825 10.431 1.00 34.43 C ATOM 1608 NZ LYS A 108 6.640 -22.705 10.812 1.00 13.12 N ATOM 0 H LYS A 108 0.542 -20.230 10.200 1.00 23.31 H new ATOM 0 HA LYS A 108 1.969 -22.344 9.004 1.00 22.30 H new ATOM 0 HB2 LYS A 108 2.613 -21.112 11.043 1.00 33.21 H new ATOM 0 HB3 LYS A 108 1.307 -21.891 11.915 1.00 33.21 H new ATOM 0 HG2 LYS A 108 2.486 -23.825 12.152 1.00 43.43 H new ATOM 0 HG3 LYS A 108 2.904 -23.869 10.451 1.00 43.43 H new ATOM 0 HD2 LYS A 108 4.314 -21.797 12.100 1.00 52.20 H new ATOM 0 HD3 LYS A 108 4.736 -23.465 12.435 1.00 52.20 H new ATOM 0 HE2 LYS A 108 5.056 -23.752 9.881 1.00 34.43 H new ATOM 0 HE3 LYS A 108 4.941 -22.008 9.764 1.00 34.43 H new ATOM 0 HZ1 LYS A 108 7.238 -23.022 10.023 1.00 13.12 H new ATOM 0 HZ2 LYS A 108 6.858 -21.713 11.034 1.00 13.12 H new ATOM 0 HZ3 LYS A 108 6.827 -23.296 11.647 1.00 13.12 H new ATOM 1621 N GLY A 109 -0.971 -23.101 10.139 1.00 12.00 N ATOM 1622 CA GLY A 109 -1.981 -24.145 10.175 1.00 14.23 C ATOM 1623 C GLY A 109 -3.234 -23.722 9.405 1.00 31.40 C ATOM 1624 O GLY A 109 -3.137 -23.134 8.329 1.00 2.24 O ATOM 0 H GLY A 109 -1.302 -22.178 10.420 1.00 12.00 H new ATOM 0 HA2 GLY A 109 -1.577 -25.062 9.745 1.00 14.23 H new ATOM 0 HA3 GLY A 109 -2.243 -24.367 11.209 1.00 14.23 H new