USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 Single : A 3 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.87) USER MOD Single : A 14 MET CE :methyl -167:sc= 0 (180deg=-0.224) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 19 THR OG1 : rot -65:sc= 0.596 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.74) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 86:sc= 0.635 USER MOD Single : A 50 ASN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 131:sc= -0.148 (180deg=-0.541) USER MOD Single : A 62 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.297 -6.478 -9.313 1.00 71.22 N ATOM 2 CA PRO A 1 0.027 -5.038 -9.341 1.00 12.31 C ATOM 3 C PRO A 1 0.787 -4.284 -8.255 1.00 31.44 C ATOM 4 O PRO A 1 1.428 -3.268 -8.523 1.00 61.54 O ATOM 5 CB PRO A 1 -1.482 -4.955 -9.094 1.00 4.25 C ATOM 6 CG PRO A 1 -1.812 -6.202 -8.349 1.00 14.12 C ATOM 7 CD PRO A 1 -0.871 -7.255 -8.866 1.00 15.23 C ATOM 0 H2 PRO A 1 1.084 -6.663 -8.691 1.00 71.22 H new ATOM 0 H3 PRO A 1 0.574 -6.789 -10.244 1.00 71.22 H new ATOM 0 HA PRO A 1 0.345 -4.582 -10.279 1.00 12.31 H new ATOM 0 HB2 PRO A 1 -1.740 -4.068 -8.516 1.00 4.25 H new ATOM 0 HB3 PRO A 1 -2.034 -4.896 -10.032 1.00 4.25 H new ATOM 0 HG2 PRO A 1 -1.687 -6.060 -7.276 1.00 14.12 H new ATOM 0 HG3 PRO A 1 -2.850 -6.492 -8.513 1.00 14.12 H new ATOM 0 HD2 PRO A 1 -0.604 -7.972 -8.089 1.00 15.23 H new ATOM 0 HD3 PRO A 1 -1.313 -7.823 -9.685 1.00 15.23 H new ATOM 15 N ARG A 2 0.711 -4.789 -7.027 1.00 61.04 N ATOM 16 CA ARG A 2 1.392 -4.163 -5.900 1.00 53.25 C ATOM 17 C ARG A 2 1.562 -5.151 -4.751 1.00 24.42 C ATOM 18 O ARG A 2 0.988 -6.239 -4.764 1.00 54.01 O ATOM 19 CB ARG A 2 0.610 -2.938 -5.422 1.00 43.20 C ATOM 20 CG ARG A 2 -0.481 -3.266 -4.416 1.00 62.11 C ATOM 21 CD ARG A 2 -1.498 -4.238 -4.995 1.00 2.54 C ATOM 22 NE ARG A 2 -2.218 -3.665 -6.129 1.00 63.10 N ATOM 23 CZ ARG A 2 -3.401 -4.102 -6.545 1.00 32.33 C ATOM 24 NH1 ARG A 2 -3.995 -5.111 -5.922 1.00 60.12 N ATOM 25 NH2 ARG A 2 -3.993 -3.530 -7.585 1.00 14.41 N ATOM 0 H ARG A 2 0.185 -5.629 -6.788 1.00 61.04 H new ATOM 0 HA ARG A 2 2.380 -3.848 -6.234 1.00 53.25 H new ATOM 0 HB2 ARG A 2 1.304 -2.227 -4.974 1.00 43.20 H new ATOM 0 HB3 ARG A 2 0.161 -2.445 -6.284 1.00 43.20 H new ATOM 0 HG2 ARG A 2 -0.034 -3.696 -3.520 1.00 62.11 H new ATOM 0 HG3 ARG A 2 -0.985 -2.349 -4.112 1.00 62.11 H new ATOM 0 HD2 ARG A 2 -0.990 -5.149 -5.311 1.00 2.54 H new ATOM 0 HD3 ARG A 2 -2.210 -4.523 -4.220 1.00 2.54 H new ATOM 0 HE ARG A 2 -1.789 -2.886 -6.629 1.00 63.10 H new ATOM 0 HH11 ARG A 2 -3.543 -5.553 -5.121 1.00 60.12 H new ATOM 0 HH12 ARG A 2 -4.904 -5.445 -6.243 1.00 60.12 H new ATOM 0 HH21 ARG A 2 -3.540 -2.753 -8.066 1.00 14.41 H new ATOM 0 HH22 ARG A 2 -4.902 -3.867 -7.903 1.00 14.41 H new ATOM 39 N ASN A 3 2.357 -4.765 -3.758 1.00 21.10 N ATOM 40 CA ASN A 3 2.605 -5.618 -2.601 1.00 55.10 C ATOM 41 C ASN A 3 2.574 -4.806 -1.310 1.00 12.40 C ATOM 42 O ASN A 3 3.213 -5.165 -0.321 1.00 25.20 O ATOM 43 CB ASN A 3 3.955 -6.323 -2.741 1.00 31.42 C ATOM 44 CG ASN A 3 3.995 -7.265 -3.929 1.00 30.22 C ATOM 45 OD1 ASN A 3 4.194 -6.839 -5.067 1.00 13.05 O ATOM 46 ND2 ASN A 3 3.805 -8.554 -3.669 1.00 5.42 N ATOM 0 H ASN A 3 2.840 -3.867 -3.731 1.00 21.10 H new ATOM 0 HA ASN A 3 1.814 -6.367 -2.557 1.00 55.10 H new ATOM 0 HB2 ASN A 3 4.742 -5.577 -2.846 1.00 31.42 H new ATOM 0 HB3 ASN A 3 4.166 -6.883 -1.830 1.00 31.42 H new ATOM 0 HD21 ASN A 3 3.821 -9.235 -4.428 1.00 5.42 H new ATOM 0 HD22 ASN A 3 3.643 -8.862 -2.710 1.00 5.42 H new ATOM 53 N THR A 4 1.825 -3.707 -1.326 1.00 32.22 N ATOM 54 CA THR A 4 1.710 -2.843 -0.158 1.00 24.23 C ATOM 55 C THR A 4 1.184 -3.614 1.047 1.00 33.41 C ATOM 56 O THR A 4 1.560 -3.337 2.186 1.00 21.41 O ATOM 57 CB THR A 4 0.781 -1.646 -0.433 1.00 73.32 C ATOM 58 OG1 THR A 4 -0.508 -2.112 -0.849 1.00 63.44 O ATOM 59 CG2 THR A 4 1.368 -0.740 -1.505 1.00 22.24 C ATOM 0 H THR A 4 1.289 -3.395 -2.136 1.00 32.22 H new ATOM 0 HA THR A 4 2.712 -2.473 0.060 1.00 24.23 H new ATOM 0 HB THR A 4 0.680 -1.073 0.489 1.00 73.32 H new ATOM 0 HG1 THR A 4 -1.094 -1.345 -1.020 1.00 63.44 H new ATOM 0 HG21 THR A 4 0.694 0.098 -1.682 1.00 22.24 H new ATOM 0 HG22 THR A 4 2.336 -0.364 -1.173 1.00 22.24 H new ATOM 0 HG23 THR A 4 1.495 -1.304 -2.429 1.00 22.24 H new ATOM 67 N ARG A 5 0.312 -4.583 0.789 1.00 73.45 N ATOM 68 CA ARG A 5 -0.267 -5.395 1.853 1.00 41.41 C ATOM 69 C ARG A 5 0.658 -6.552 2.219 1.00 40.35 C ATOM 70 O ARG A 5 0.659 -7.022 3.356 1.00 44.42 O ATOM 71 CB ARG A 5 -1.633 -5.935 1.426 1.00 10.21 C ATOM 72 CG ARG A 5 -2.702 -4.861 1.305 1.00 20.13 C ATOM 73 CD ARG A 5 -3.843 -5.309 0.405 1.00 21.54 C ATOM 74 NE ARG A 5 -4.758 -6.217 1.093 1.00 64.24 N ATOM 75 CZ ARG A 5 -5.687 -5.813 1.951 1.00 52.10 C ATOM 76 NH1 ARG A 5 -5.825 -4.523 2.226 1.00 64.13 N ATOM 77 NH2 ARG A 5 -6.482 -6.700 2.536 1.00 12.42 N ATOM 0 H ARG A 5 -0.009 -4.825 -0.148 1.00 73.45 H new ATOM 0 HA ARG A 5 -0.393 -4.762 2.731 1.00 41.41 H new ATOM 0 HB2 ARG A 5 -1.530 -6.443 0.467 1.00 10.21 H new ATOM 0 HB3 ARG A 5 -1.961 -6.682 2.149 1.00 10.21 H new ATOM 0 HG2 ARG A 5 -3.091 -4.620 2.294 1.00 20.13 H new ATOM 0 HG3 ARG A 5 -2.259 -3.949 0.906 1.00 20.13 H new ATOM 0 HD2 ARG A 5 -4.393 -4.436 0.055 1.00 21.54 H new ATOM 0 HD3 ARG A 5 -3.436 -5.804 -0.477 1.00 21.54 H new ATOM 0 HE ARG A 5 -4.679 -7.216 0.904 1.00 64.24 H new ATOM 0 HH11 ARG A 5 -5.216 -3.838 1.778 1.00 64.13 H new ATOM 0 HH12 ARG A 5 -6.540 -4.216 2.886 1.00 64.13 H new ATOM 0 HH21 ARG A 5 -6.380 -7.693 2.327 1.00 12.42 H new ATOM 0 HH22 ARG A 5 -7.196 -6.389 3.195 1.00 12.42 H new ATOM 91 N GLU A 6 1.443 -7.006 1.246 1.00 15.30 N ATOM 92 CA GLU A 6 2.371 -8.109 1.466 1.00 14.32 C ATOM 93 C GLU A 6 3.771 -7.588 1.777 1.00 12.32 C ATOM 94 O GLU A 6 4.740 -7.943 1.107 1.00 45.31 O ATOM 95 CB GLU A 6 2.415 -9.020 0.238 1.00 33.31 C ATOM 96 CG GLU A 6 2.702 -10.475 0.570 1.00 52.01 C ATOM 97 CD GLU A 6 3.951 -10.994 -0.115 1.00 3.12 C ATOM 98 OE1 GLU A 6 3.927 -11.150 -1.354 1.00 33.33 O ATOM 99 OE2 GLU A 6 4.953 -11.244 0.587 1.00 1.34 O ATOM 0 H GLU A 6 1.454 -6.627 0.299 1.00 15.30 H new ATOM 0 HA GLU A 6 2.017 -8.683 2.323 1.00 14.32 H new ATOM 0 HB2 GLU A 6 1.461 -8.957 -0.285 1.00 33.31 H new ATOM 0 HB3 GLU A 6 3.180 -8.655 -0.448 1.00 33.31 H new ATOM 0 HG2 GLU A 6 2.813 -10.583 1.649 1.00 52.01 H new ATOM 0 HG3 GLU A 6 1.849 -11.086 0.274 1.00 52.01 H new ATOM 106 N VAL A 7 3.868 -6.743 2.799 1.00 41.44 N ATOM 107 CA VAL A 7 5.149 -6.172 3.200 1.00 74.43 C ATOM 108 C VAL A 7 6.205 -7.258 3.368 1.00 22.43 C ATOM 109 O VAL A 7 7.390 -7.030 3.125 1.00 3.13 O ATOM 110 CB VAL A 7 5.024 -5.384 4.517 1.00 51.11 C ATOM 111 CG1 VAL A 7 6.365 -4.782 4.908 1.00 21.44 C ATOM 112 CG2 VAL A 7 3.962 -4.302 4.391 1.00 35.45 C ATOM 0 H VAL A 7 3.075 -6.439 3.364 1.00 41.44 H new ATOM 0 HA VAL A 7 5.455 -5.491 2.406 1.00 74.43 H new ATOM 0 HB VAL A 7 4.718 -6.072 5.305 1.00 51.11 H new ATOM 0 HG11 VAL A 7 6.257 -4.229 5.841 1.00 21.44 H new ATOM 0 HG12 VAL A 7 7.097 -5.579 5.041 1.00 21.44 H new ATOM 0 HG13 VAL A 7 6.703 -4.106 4.123 1.00 21.44 H new ATOM 0 HG21 VAL A 7 3.887 -3.755 5.331 1.00 35.45 H new ATOM 0 HG22 VAL A 7 4.237 -3.614 3.591 1.00 35.45 H new ATOM 0 HG23 VAL A 7 3.001 -4.761 4.160 1.00 35.45 H new ATOM 122 N PHE A 8 5.768 -8.442 3.786 1.00 51.12 N ATOM 123 CA PHE A 8 6.676 -9.565 3.988 1.00 41.33 C ATOM 124 C PHE A 8 7.530 -9.804 2.746 1.00 75.14 C ATOM 125 O PHE A 8 8.663 -10.274 2.839 1.00 1.45 O ATOM 126 CB PHE A 8 5.888 -10.831 4.330 1.00 12.54 C ATOM 127 CG PHE A 8 6.602 -11.741 5.288 1.00 42.11 C ATOM 128 CD1 PHE A 8 6.681 -11.427 6.635 1.00 4.40 C ATOM 129 CD2 PHE A 8 7.195 -12.911 4.841 1.00 41.43 C ATOM 130 CE1 PHE A 8 7.338 -12.262 7.519 1.00 72.30 C ATOM 131 CE2 PHE A 8 7.852 -13.750 5.720 1.00 64.30 C ATOM 132 CZ PHE A 8 7.925 -13.425 7.060 1.00 31.25 C ATOM 0 H PHE A 8 4.790 -8.648 3.991 1.00 51.12 H new ATOM 0 HA PHE A 8 7.336 -9.321 4.820 1.00 41.33 H new ATOM 0 HB2 PHE A 8 4.927 -10.547 4.759 1.00 12.54 H new ATOM 0 HB3 PHE A 8 5.677 -11.378 3.411 1.00 12.54 H new ATOM 0 HD1 PHE A 8 6.224 -10.519 6.999 1.00 4.40 H new ATOM 0 HD2 PHE A 8 7.143 -13.170 3.794 1.00 41.43 H new ATOM 0 HE1 PHE A 8 7.392 -12.006 8.567 1.00 72.30 H new ATOM 0 HE2 PHE A 8 8.308 -14.660 5.359 1.00 64.30 H new ATOM 0 HZ PHE A 8 8.440 -14.079 7.748 1.00 31.25 H new ATOM 142 N ALA A 9 6.975 -9.478 1.583 1.00 63.25 N ATOM 143 CA ALA A 9 7.685 -9.656 0.322 1.00 51.12 C ATOM 144 C ALA A 9 9.031 -8.941 0.344 1.00 4.31 C ATOM 145 O ALA A 9 9.961 -9.328 -0.363 1.00 41.44 O ATOM 146 CB ALA A 9 6.837 -9.152 -0.837 1.00 33.42 C ATOM 0 H ALA A 9 6.037 -9.090 1.488 1.00 63.25 H new ATOM 0 HA ALA A 9 7.871 -10.721 0.186 1.00 51.12 H new ATOM 0 HB1 ALA A 9 7.379 -9.291 -1.772 1.00 33.42 H new ATOM 0 HB2 ALA A 9 5.902 -9.711 -0.873 1.00 33.42 H new ATOM 0 HB3 ALA A 9 6.622 -8.093 -0.697 1.00 33.42 H new ATOM 152 N GLN A 10 9.128 -7.896 1.160 1.00 11.01 N ATOM 153 CA GLN A 10 10.361 -7.126 1.272 1.00 22.34 C ATOM 154 C GLN A 10 11.546 -8.038 1.576 1.00 12.41 C ATOM 155 O GLN A 10 12.682 -7.741 1.205 1.00 34.11 O ATOM 156 CB GLN A 10 10.227 -6.064 2.365 1.00 54.03 C ATOM 157 CG GLN A 10 9.540 -4.792 1.895 1.00 53.11 C ATOM 158 CD GLN A 10 9.961 -3.573 2.691 1.00 3.31 C ATOM 159 OE1 GLN A 10 10.608 -2.667 2.165 1.00 42.40 O ATOM 160 NE2 GLN A 10 9.596 -3.543 3.967 1.00 20.44 N ATOM 0 H GLN A 10 8.368 -7.563 1.753 1.00 11.01 H new ATOM 0 HA GLN A 10 10.540 -6.633 0.316 1.00 22.34 H new ATOM 0 HB2 GLN A 10 9.666 -6.483 3.200 1.00 54.03 H new ATOM 0 HB3 GLN A 10 11.219 -5.814 2.741 1.00 54.03 H new ATOM 0 HG2 GLN A 10 9.767 -4.629 0.841 1.00 53.11 H new ATOM 0 HG3 GLN A 10 8.460 -4.917 1.973 1.00 53.11 H new ATOM 0 HE21 GLN A 10 9.060 -4.316 4.362 1.00 20.44 H new ATOM 0 HE22 GLN A 10 9.851 -2.747 4.552 1.00 20.44 H new ATOM 169 N VAL A 11 11.273 -9.148 2.254 1.00 63.22 N ATOM 170 CA VAL A 11 12.316 -10.104 2.607 1.00 45.30 C ATOM 171 C VAL A 11 13.122 -10.517 1.380 1.00 13.31 C ATOM 172 O VAL A 11 14.301 -10.855 1.482 1.00 1.24 O ATOM 173 CB VAL A 11 11.724 -11.363 3.266 1.00 20.24 C ATOM 174 CG1 VAL A 11 10.948 -10.994 4.521 1.00 34.23 C ATOM 175 CG2 VAL A 11 10.838 -12.113 2.283 1.00 43.34 C ATOM 0 H VAL A 11 10.339 -9.408 2.570 1.00 63.22 H new ATOM 0 HA VAL A 11 12.974 -9.605 3.319 1.00 45.30 H new ATOM 0 HB VAL A 11 12.544 -12.020 3.555 1.00 20.24 H new ATOM 0 HG11 VAL A 11 10.537 -11.897 4.973 1.00 34.23 H new ATOM 0 HG12 VAL A 11 11.615 -10.504 5.230 1.00 34.23 H new ATOM 0 HG13 VAL A 11 10.135 -10.316 4.260 1.00 34.23 H new ATOM 0 HG21 VAL A 11 10.428 -13.000 2.766 1.00 43.34 H new ATOM 0 HG22 VAL A 11 10.022 -11.466 1.961 1.00 43.34 H new ATOM 0 HG23 VAL A 11 11.428 -12.412 1.416 1.00 43.34 H new ATOM 185 N LYS A 12 12.477 -10.487 0.219 1.00 40.34 N ATOM 186 CA LYS A 12 13.132 -10.856 -1.030 1.00 63.05 C ATOM 187 C LYS A 12 14.388 -10.019 -1.255 1.00 14.15 C ATOM 188 O LYS A 12 15.323 -10.455 -1.925 1.00 21.14 O ATOM 189 CB LYS A 12 12.170 -10.677 -2.207 1.00 64.22 C ATOM 190 CG LYS A 12 11.921 -9.224 -2.573 1.00 74.42 C ATOM 191 CD LYS A 12 12.849 -8.761 -3.683 1.00 61.33 C ATOM 192 CE LYS A 12 12.242 -7.613 -4.475 1.00 21.11 C ATOM 193 NZ LYS A 12 12.278 -6.334 -3.713 1.00 44.03 N ATOM 0 H LYS A 12 11.500 -10.211 0.117 1.00 40.34 H new ATOM 0 HA LYS A 12 13.423 -11.904 -0.962 1.00 63.05 H new ATOM 0 HB2 LYS A 12 12.571 -11.198 -3.076 1.00 64.22 H new ATOM 0 HB3 LYS A 12 11.219 -11.150 -1.963 1.00 64.22 H new ATOM 0 HG2 LYS A 12 10.885 -9.100 -2.888 1.00 74.42 H new ATOM 0 HG3 LYS A 12 12.064 -8.597 -1.693 1.00 74.42 H new ATOM 0 HD2 LYS A 12 13.801 -8.446 -3.255 1.00 61.33 H new ATOM 0 HD3 LYS A 12 13.061 -9.594 -4.353 1.00 61.33 H new ATOM 0 HE2 LYS A 12 12.784 -7.492 -5.413 1.00 21.11 H new ATOM 0 HE3 LYS A 12 11.210 -7.854 -4.732 1.00 21.11 H new ATOM 0 HZ1 LYS A 12 11.855 -5.576 -4.286 1.00 44.03 H new ATOM 0 HZ2 LYS A 12 11.740 -6.441 -2.830 1.00 44.03 H new ATOM 0 HZ3 LYS A 12 13.264 -6.090 -3.490 1.00 44.03 H new ATOM 207 N GLN A 13 14.400 -8.816 -0.688 1.00 64.44 N ATOM 208 CA GLN A 13 15.542 -7.920 -0.827 1.00 12.33 C ATOM 209 C GLN A 13 16.829 -8.605 -0.380 1.00 43.43 C ATOM 210 O GLN A 13 17.917 -8.268 -0.847 1.00 51.34 O ATOM 211 CB GLN A 13 15.318 -6.646 -0.010 1.00 42.20 C ATOM 212 CG GLN A 13 15.443 -6.855 1.490 1.00 24.25 C ATOM 213 CD GLN A 13 14.591 -5.888 2.288 1.00 41.32 C ATOM 214 OE1 GLN A 13 13.866 -6.287 3.200 1.00 41.05 O ATOM 215 NE2 GLN A 13 14.674 -4.607 1.948 1.00 11.31 N ATOM 0 H GLN A 13 13.634 -8.441 -0.129 1.00 64.44 H new ATOM 0 HA GLN A 13 15.640 -7.656 -1.880 1.00 12.33 H new ATOM 0 HB2 GLN A 13 16.039 -5.891 -0.325 1.00 42.20 H new ATOM 0 HB3 GLN A 13 14.326 -6.252 -0.232 1.00 42.20 H new ATOM 0 HG2 GLN A 13 15.153 -7.877 1.736 1.00 24.25 H new ATOM 0 HG3 GLN A 13 16.487 -6.741 1.783 1.00 24.25 H new ATOM 0 HE21 GLN A 13 15.288 -4.320 1.186 1.00 11.31 H new ATOM 0 HE22 GLN A 13 14.124 -3.910 2.449 1.00 11.31 H new ATOM 224 N MET A 14 16.698 -9.567 0.527 1.00 60.03 N ATOM 225 CA MET A 14 17.852 -10.300 1.035 1.00 13.34 C ATOM 226 C MET A 14 18.220 -11.449 0.103 1.00 44.15 C ATOM 227 O MET A 14 17.531 -12.468 0.055 1.00 50.01 O ATOM 228 CB MET A 14 17.563 -10.839 2.438 1.00 52.52 C ATOM 229 CG MET A 14 18.797 -10.929 3.320 1.00 22.13 C ATOM 230 SD MET A 14 18.478 -11.783 4.876 1.00 71.43 S ATOM 231 CE MET A 14 19.303 -10.696 6.035 1.00 2.20 C ATOM 0 H MET A 14 15.805 -9.857 0.925 1.00 60.03 H new ATOM 0 HA MET A 14 18.695 -9.611 1.084 1.00 13.34 H new ATOM 0 HB2 MET A 14 16.827 -10.196 2.921 1.00 52.52 H new ATOM 0 HB3 MET A 14 17.114 -11.829 2.353 1.00 52.52 H new ATOM 0 HG2 MET A 14 19.588 -11.450 2.780 1.00 22.13 H new ATOM 0 HG3 MET A 14 19.163 -9.924 3.530 1.00 22.13 H new ATOM 0 HE1 MET A 14 19.397 -11.196 6.999 1.00 2.20 H new ATOM 0 HE2 MET A 14 20.295 -10.447 5.657 1.00 2.20 H new ATOM 0 HE3 MET A 14 18.720 -9.783 6.155 1.00 2.20 H new ATOM 241 N TYR A 15 19.310 -11.278 -0.637 1.00 42.13 N ATOM 242 CA TYR A 15 19.768 -12.300 -1.571 1.00 4.11 C ATOM 243 C TYR A 15 21.182 -12.759 -1.226 1.00 10.50 C ATOM 244 O TYR A 15 22.024 -12.933 -2.107 1.00 52.23 O ATOM 245 CB TYR A 15 19.729 -11.766 -3.004 1.00 33.22 C ATOM 246 CG TYR A 15 20.340 -10.392 -3.155 1.00 50.41 C ATOM 247 CD1 TYR A 15 19.563 -9.247 -3.027 1.00 2.44 C ATOM 248 CD2 TYR A 15 21.694 -10.238 -3.427 1.00 54.53 C ATOM 249 CE1 TYR A 15 20.117 -7.989 -3.165 1.00 0.53 C ATOM 250 CE2 TYR A 15 22.256 -8.983 -3.565 1.00 63.55 C ATOM 251 CZ TYR A 15 21.464 -7.862 -3.434 1.00 30.25 C ATOM 252 OH TYR A 15 22.020 -6.611 -3.572 1.00 24.21 O ATOM 0 H TYR A 15 19.893 -10.441 -0.608 1.00 42.13 H new ATOM 0 HA TYR A 15 19.098 -13.156 -1.491 1.00 4.11 H new ATOM 0 HB2 TYR A 15 20.256 -12.462 -3.657 1.00 33.22 H new ATOM 0 HB3 TYR A 15 18.693 -11.733 -3.342 1.00 33.22 H new ATOM 0 HD1 TYR A 15 18.508 -9.342 -2.816 1.00 2.44 H new ATOM 0 HD2 TYR A 15 22.317 -11.114 -3.532 1.00 54.53 H new ATOM 0 HE1 TYR A 15 19.499 -7.109 -3.063 1.00 0.53 H new ATOM 0 HE2 TYR A 15 23.311 -8.881 -3.774 1.00 63.55 H new ATOM 0 HH TYR A 15 22.978 -6.698 -3.758 1.00 24.21 H new ATOM 262 N LYS A 16 21.436 -12.953 0.064 1.00 74.13 N ATOM 263 CA LYS A 16 22.746 -13.393 0.528 1.00 35.45 C ATOM 264 C LYS A 16 23.163 -14.685 -0.166 1.00 63.43 C ATOM 265 O LYS A 16 24.353 -14.979 -0.292 1.00 32.35 O ATOM 266 CB LYS A 16 22.729 -13.600 2.045 1.00 53.32 C ATOM 267 CG LYS A 16 23.247 -12.405 2.827 1.00 61.21 C ATOM 268 CD LYS A 16 23.562 -12.775 4.267 1.00 72.44 C ATOM 269 CE LYS A 16 22.597 -12.110 5.237 1.00 62.53 C ATOM 270 NZ LYS A 16 22.835 -12.546 6.641 1.00 52.41 N ATOM 0 H LYS A 16 20.751 -12.812 0.807 1.00 74.13 H new ATOM 0 HA LYS A 16 23.471 -12.617 0.280 1.00 35.45 H new ATOM 0 HB2 LYS A 16 21.709 -13.817 2.362 1.00 53.32 H new ATOM 0 HB3 LYS A 16 23.332 -14.474 2.291 1.00 53.32 H new ATOM 0 HG2 LYS A 16 24.144 -12.015 2.346 1.00 61.21 H new ATOM 0 HG3 LYS A 16 22.504 -11.608 2.809 1.00 61.21 H new ATOM 0 HD2 LYS A 16 23.510 -13.857 4.385 1.00 72.44 H new ATOM 0 HD3 LYS A 16 24.583 -12.477 4.506 1.00 72.44 H new ATOM 0 HE2 LYS A 16 22.703 -11.027 5.170 1.00 62.53 H new ATOM 0 HE3 LYS A 16 21.573 -12.348 4.951 1.00 62.53 H new ATOM 0 HZ1 LYS A 16 22.158 -12.071 7.272 1.00 52.41 H new ATOM 0 HZ2 LYS A 16 22.709 -13.576 6.711 1.00 52.41 H new ATOM 0 HZ3 LYS A 16 23.804 -12.296 6.923 1.00 52.41 H new ATOM 284 N THR A 17 22.178 -15.455 -0.618 1.00 54.55 N ATOM 285 CA THR A 17 22.443 -16.715 -1.301 1.00 10.41 C ATOM 286 C THR A 17 23.097 -17.721 -0.362 1.00 21.54 C ATOM 287 O THR A 17 24.036 -18.428 -0.727 1.00 64.52 O ATOM 288 CB THR A 17 23.352 -16.509 -2.528 1.00 15.34 C ATOM 289 OG1 THR A 17 23.114 -15.219 -3.102 1.00 54.14 O ATOM 290 CG2 THR A 17 23.105 -17.588 -3.571 1.00 52.10 C ATOM 0 H THR A 17 21.188 -15.227 -0.523 1.00 54.55 H new ATOM 0 HA THR A 17 21.480 -17.104 -1.633 1.00 10.41 H new ATOM 0 HB THR A 17 24.389 -16.574 -2.200 1.00 15.34 H new ATOM 0 HG1 THR A 17 23.697 -15.095 -3.880 1.00 54.14 H new ATOM 0 HG21 THR A 17 23.758 -17.422 -4.428 1.00 52.10 H new ATOM 0 HG22 THR A 17 23.315 -18.566 -3.139 1.00 52.10 H new ATOM 0 HG23 THR A 17 22.065 -17.550 -3.895 1.00 52.10 H new ATOM 298 N PRO A 18 22.591 -17.791 0.878 1.00 14.24 N ATOM 299 CA PRO A 18 23.110 -18.710 1.896 1.00 43.44 C ATOM 300 C PRO A 18 22.791 -20.166 1.578 1.00 21.52 C ATOM 301 O PRO A 18 21.783 -20.707 2.036 1.00 43.52 O ATOM 302 CB PRO A 18 22.389 -18.270 3.172 1.00 23.03 C ATOM 303 CG PRO A 18 21.132 -17.628 2.696 1.00 61.55 C ATOM 304 CD PRO A 18 21.471 -16.978 1.383 1.00 41.11 C ATOM 0 HA PRO A 18 24.197 -18.667 1.969 1.00 43.44 H new ATOM 0 HB2 PRO A 18 22.178 -19.120 3.820 1.00 23.03 H new ATOM 0 HB3 PRO A 18 22.996 -17.572 3.749 1.00 23.03 H new ATOM 0 HG2 PRO A 18 20.339 -18.366 2.573 1.00 61.55 H new ATOM 0 HG3 PRO A 18 20.773 -16.892 3.415 1.00 61.55 H new ATOM 0 HD2 PRO A 18 20.624 -16.992 0.697 1.00 41.11 H new ATOM 0 HD3 PRO A 18 21.759 -15.935 1.514 1.00 41.11 H new ATOM 312 N THR A 19 23.656 -20.799 0.792 1.00 61.44 N ATOM 313 CA THR A 19 23.466 -22.194 0.413 1.00 52.35 C ATOM 314 C THR A 19 24.795 -22.940 0.375 1.00 53.52 C ATOM 315 O THR A 19 25.315 -23.249 -0.698 1.00 75.02 O ATOM 316 CB THR A 19 22.784 -22.314 -0.963 1.00 55.33 C ATOM 317 OG1 THR A 19 22.822 -23.673 -1.412 1.00 52.02 O ATOM 318 CG2 THR A 19 23.466 -21.417 -1.986 1.00 34.34 C ATOM 0 H THR A 19 24.495 -20.368 0.405 1.00 61.44 H new ATOM 0 HA THR A 19 22.823 -22.642 1.170 1.00 52.35 H new ATOM 0 HB THR A 19 21.747 -21.995 -0.858 1.00 55.33 H new ATOM 0 HG1 THR A 19 23.752 -23.941 -1.565 1.00 52.02 H new ATOM 0 HG21 THR A 19 22.967 -21.519 -2.950 1.00 34.34 H new ATOM 0 HG22 THR A 19 23.409 -20.380 -1.656 1.00 34.34 H new ATOM 0 HG23 THR A 19 24.511 -21.709 -2.086 1.00 34.34 H new ATOM 326 N LEU A 20 25.340 -23.226 1.552 1.00 63.45 N ATOM 327 CA LEU A 20 26.610 -23.938 1.653 1.00 11.32 C ATOM 328 C LEU A 20 26.390 -25.447 1.650 1.00 22.12 C ATOM 329 O LEU A 20 26.161 -26.054 2.696 1.00 34.43 O ATOM 330 CB LEU A 20 27.350 -23.521 2.925 1.00 31.15 C ATOM 331 CG LEU A 20 28.828 -23.907 3.000 1.00 74.55 C ATOM 332 CD1 LEU A 20 29.640 -22.790 3.634 1.00 4.23 C ATOM 333 CD2 LEU A 20 29.002 -25.204 3.777 1.00 15.12 C ATOM 0 H LEU A 20 24.923 -22.976 2.449 1.00 63.45 H new ATOM 0 HA LEU A 20 27.216 -23.677 0.785 1.00 11.32 H new ATOM 0 HB2 LEU A 20 27.272 -22.439 3.028 1.00 31.15 H new ATOM 0 HB3 LEU A 20 26.837 -23.960 3.780 1.00 31.15 H new ATOM 0 HG LEU A 20 29.195 -24.063 1.986 1.00 74.55 H new ATOM 0 HD11 LEU A 20 30.689 -23.083 3.679 1.00 4.23 H new ATOM 0 HD12 LEU A 20 29.541 -21.884 3.036 1.00 4.23 H new ATOM 0 HD13 LEU A 20 29.273 -22.601 4.643 1.00 4.23 H new ATOM 0 HD21 LEU A 20 30.060 -25.463 3.820 1.00 15.12 H new ATOM 0 HD22 LEU A 20 28.618 -25.076 4.789 1.00 15.12 H new ATOM 0 HD23 LEU A 20 28.453 -26.003 3.279 1.00 15.12 H new ATOM 345 N LYS A 21 26.464 -26.048 0.467 1.00 21.25 N ATOM 346 CA LYS A 21 26.277 -27.487 0.327 1.00 21.31 C ATOM 347 C LYS A 21 27.597 -28.229 0.516 1.00 13.53 C ATOM 348 O LYS A 21 27.677 -29.438 0.298 1.00 5.43 O ATOM 349 CB LYS A 21 25.689 -27.814 -1.047 1.00 71.24 C ATOM 350 CG LYS A 21 24.199 -27.537 -1.153 1.00 43.01 C ATOM 351 CD LYS A 21 23.667 -27.870 -2.537 1.00 10.21 C ATOM 352 CE LYS A 21 22.184 -27.554 -2.654 1.00 52.54 C ATOM 353 NZ LYS A 21 21.339 -28.632 -2.071 1.00 12.35 N ATOM 0 H LYS A 21 26.652 -25.560 -0.409 1.00 21.25 H new ATOM 0 HA LYS A 21 25.582 -27.814 1.101 1.00 21.31 H new ATOM 0 HB2 LYS A 21 26.213 -27.232 -1.805 1.00 71.24 H new ATOM 0 HB3 LYS A 21 25.871 -28.865 -1.270 1.00 71.24 H new ATOM 0 HG2 LYS A 21 23.665 -28.124 -0.406 1.00 43.01 H new ATOM 0 HG3 LYS A 21 24.006 -26.487 -0.931 1.00 43.01 H new ATOM 0 HD2 LYS A 21 24.221 -27.305 -3.287 1.00 10.21 H new ATOM 0 HD3 LYS A 21 23.833 -28.927 -2.747 1.00 10.21 H new ATOM 0 HE2 LYS A 21 21.972 -26.613 -2.147 1.00 52.54 H new ATOM 0 HE3 LYS A 21 21.924 -27.416 -3.704 1.00 52.54 H new ATOM 0 HZ1 LYS A 21 20.335 -28.379 -2.171 1.00 12.35 H new ATOM 0 HZ2 LYS A 21 21.522 -29.525 -2.571 1.00 12.35 H new ATOM 0 HZ3 LYS A 21 21.569 -28.746 -1.063 1.00 12.35 H new ATOM 367 N TYR A 22 28.628 -27.497 0.924 1.00 14.22 N ATOM 368 CA TYR A 22 29.944 -28.085 1.142 1.00 32.10 C ATOM 369 C TYR A 22 29.928 -29.026 2.343 1.00 2.20 C ATOM 370 O TYR A 22 30.713 -29.972 2.416 1.00 53.13 O ATOM 371 CB TYR A 22 30.988 -26.987 1.354 1.00 74.24 C ATOM 372 CG TYR A 22 32.407 -27.504 1.411 1.00 63.32 C ATOM 373 CD1 TYR A 22 33.264 -27.127 2.438 1.00 72.21 C ATOM 374 CD2 TYR A 22 32.893 -28.369 0.438 1.00 55.04 C ATOM 375 CE1 TYR A 22 34.562 -27.596 2.494 1.00 30.50 C ATOM 376 CE2 TYR A 22 34.189 -28.844 0.486 1.00 34.45 C ATOM 377 CZ TYR A 22 35.019 -28.455 1.516 1.00 25.14 C ATOM 378 OH TYR A 22 36.312 -28.925 1.568 1.00 73.42 O ATOM 0 H TYR A 22 28.577 -26.495 1.110 1.00 14.22 H new ATOM 0 HA TYR A 22 30.208 -28.661 0.255 1.00 32.10 H new ATOM 0 HB2 TYR A 22 30.907 -26.260 0.546 1.00 74.24 H new ATOM 0 HB3 TYR A 22 30.765 -26.459 2.281 1.00 74.24 H new ATOM 0 HD1 TYR A 22 32.909 -26.456 3.206 1.00 72.21 H new ATOM 0 HD2 TYR A 22 32.246 -28.675 -0.370 1.00 55.04 H new ATOM 0 HE1 TYR A 22 35.215 -27.292 3.299 1.00 30.50 H new ATOM 0 HE2 TYR A 22 34.550 -29.516 -0.279 1.00 34.45 H new ATOM 0 HH TYR A 22 36.475 -29.520 0.806 1.00 73.42 H new ATOM 388 N PHE A 23 29.028 -28.759 3.284 1.00 42.23 N ATOM 389 CA PHE A 23 28.909 -29.580 4.483 1.00 71.23 C ATOM 390 C PHE A 23 28.274 -30.929 4.157 1.00 62.00 C ATOM 391 O PHE A 23 28.550 -31.932 4.814 1.00 61.13 O ATOM 392 CB PHE A 23 28.077 -28.855 5.543 1.00 60.04 C ATOM 393 CG PHE A 23 28.416 -29.258 6.949 1.00 14.03 C ATOM 394 CD1 PHE A 23 27.638 -30.185 7.625 1.00 41.22 C ATOM 395 CD2 PHE A 23 29.511 -28.709 7.596 1.00 21.45 C ATOM 396 CE1 PHE A 23 27.947 -30.558 8.919 1.00 21.13 C ATOM 397 CE2 PHE A 23 29.825 -29.079 8.891 1.00 62.24 C ATOM 398 CZ PHE A 23 29.042 -30.004 9.553 1.00 14.43 C ATOM 0 H PHE A 23 28.371 -27.980 3.239 1.00 42.23 H new ATOM 0 HA PHE A 23 29.911 -29.755 4.875 1.00 71.23 H new ATOM 0 HB2 PHE A 23 28.224 -27.780 5.436 1.00 60.04 H new ATOM 0 HB3 PHE A 23 27.020 -29.052 5.362 1.00 60.04 H new ATOM 0 HD1 PHE A 23 26.780 -30.621 7.134 1.00 41.22 H new ATOM 0 HD2 PHE A 23 30.126 -27.984 7.084 1.00 21.45 H new ATOM 0 HE1 PHE A 23 27.333 -31.282 9.434 1.00 21.13 H new ATOM 0 HE2 PHE A 23 30.682 -28.645 9.384 1.00 62.24 H new ATOM 0 HZ PHE A 23 29.285 -30.294 10.565 1.00 14.43 H new ATOM 408 N GLY A 24 27.421 -30.944 3.137 1.00 31.23 N ATOM 409 CA GLY A 24 26.759 -32.174 2.742 1.00 43.10 C ATOM 410 C GLY A 24 27.607 -33.014 1.807 1.00 1.25 C ATOM 411 O GLY A 24 27.654 -32.761 0.605 1.00 44.45 O ATOM 0 H GLY A 24 27.177 -30.127 2.577 1.00 31.23 H new ATOM 0 HA2 GLY A 24 26.519 -32.756 3.632 1.00 43.10 H new ATOM 0 HA3 GLY A 24 25.814 -31.934 2.254 1.00 43.10 H new ATOM 415 N GLY A 25 28.281 -34.017 2.363 1.00 52.15 N ATOM 416 CA GLY A 25 29.124 -34.880 1.556 1.00 35.52 C ATOM 417 C GLY A 25 30.119 -35.662 2.390 1.00 3.22 C ATOM 418 O GLY A 25 30.955 -35.078 3.081 1.00 62.15 O ATOM 0 H GLY A 25 28.258 -34.247 3.357 1.00 52.15 H new ATOM 0 HA2 GLY A 25 28.498 -35.575 0.997 1.00 35.52 H new ATOM 0 HA3 GLY A 25 29.662 -34.277 0.825 1.00 35.52 H new ATOM 422 N PHE A 26 30.030 -36.986 2.329 1.00 60.23 N ATOM 423 CA PHE A 26 30.929 -37.849 3.086 1.00 33.15 C ATOM 424 C PHE A 26 31.873 -38.603 2.155 1.00 43.33 C ATOM 425 O PHE A 26 31.697 -38.597 0.937 1.00 14.03 O ATOM 426 CB PHE A 26 30.126 -38.842 3.930 1.00 61.24 C ATOM 427 CG PHE A 26 29.441 -38.212 5.108 1.00 10.50 C ATOM 428 CD1 PHE A 26 30.180 -37.652 6.138 1.00 53.43 C ATOM 429 CD2 PHE A 26 28.058 -38.179 5.186 1.00 31.23 C ATOM 430 CE1 PHE A 26 29.552 -37.070 7.223 1.00 24.05 C ATOM 431 CE2 PHE A 26 27.425 -37.599 6.269 1.00 1.32 C ATOM 432 CZ PHE A 26 28.173 -37.045 7.290 1.00 41.44 C ATOM 0 H PHE A 26 29.344 -37.485 1.763 1.00 60.23 H new ATOM 0 HA PHE A 26 31.525 -37.219 3.746 1.00 33.15 H new ATOM 0 HB2 PHE A 26 29.378 -39.321 3.299 1.00 61.24 H new ATOM 0 HB3 PHE A 26 30.793 -39.627 4.285 1.00 61.24 H new ATOM 0 HD1 PHE A 26 31.259 -37.671 6.092 1.00 53.43 H new ATOM 0 HD2 PHE A 26 27.468 -38.611 4.391 1.00 31.23 H new ATOM 0 HE1 PHE A 26 30.140 -36.635 8.018 1.00 24.05 H new ATOM 0 HE2 PHE A 26 26.346 -37.579 6.317 1.00 1.32 H new ATOM 0 HZ PHE A 26 27.680 -36.593 8.138 1.00 41.44 H new ATOM 442 N ASN A 27 32.877 -39.250 2.737 1.00 24.20 N ATOM 443 CA ASN A 27 33.851 -40.008 1.960 1.00 44.24 C ATOM 444 C ASN A 27 33.902 -41.462 2.420 1.00 41.44 C ATOM 445 O ASN A 27 34.966 -42.080 2.442 1.00 65.21 O ATOM 446 CB ASN A 27 35.238 -39.373 2.083 1.00 22.42 C ATOM 447 CG ASN A 27 35.825 -39.533 3.472 1.00 3.03 C ATOM 448 OD1 ASN A 27 36.576 -40.472 3.737 1.00 61.12 O ATOM 449 ND2 ASN A 27 35.485 -38.613 4.368 1.00 75.53 N ATOM 0 H ASN A 27 33.038 -39.265 3.744 1.00 24.20 H new ATOM 0 HA ASN A 27 33.540 -39.987 0.915 1.00 44.24 H new ATOM 0 HB2 ASN A 27 35.909 -39.827 1.353 1.00 22.42 H new ATOM 0 HB3 ASN A 27 35.172 -38.313 1.839 1.00 22.42 H new ATOM 0 HD21 ASN A 27 35.850 -38.668 5.319 1.00 75.53 H new ATOM 0 HD22 ASN A 27 34.859 -37.851 4.105 1.00 75.53 H new ATOM 456 N PHE A 28 32.744 -42.001 2.785 1.00 23.54 N ATOM 457 CA PHE A 28 32.656 -43.383 3.245 1.00 1.53 C ATOM 458 C PHE A 28 32.949 -44.355 2.106 1.00 2.24 C ATOM 459 O PHE A 28 33.690 -45.323 2.278 1.00 50.14 O ATOM 460 CB PHE A 28 31.268 -43.662 3.825 1.00 53.33 C ATOM 461 CG PHE A 28 31.159 -44.997 4.503 1.00 73.52 C ATOM 462 CD1 PHE A 28 30.980 -46.154 3.760 1.00 12.44 C ATOM 463 CD2 PHE A 28 31.234 -45.097 5.883 1.00 45.13 C ATOM 464 CE1 PHE A 28 30.880 -47.384 4.381 1.00 35.53 C ATOM 465 CE2 PHE A 28 31.135 -46.325 6.509 1.00 3.10 C ATOM 466 CZ PHE A 28 30.956 -47.470 5.758 1.00 43.15 C ATOM 0 H PHE A 28 31.854 -41.503 2.772 1.00 23.54 H new ATOM 0 HA PHE A 28 33.404 -43.529 4.025 1.00 1.53 H new ATOM 0 HB2 PHE A 28 31.018 -42.879 4.540 1.00 53.33 H new ATOM 0 HB3 PHE A 28 30.531 -43.609 3.024 1.00 53.33 H new ATOM 0 HD1 PHE A 28 30.918 -46.093 2.684 1.00 12.44 H new ATOM 0 HD2 PHE A 28 31.371 -44.205 6.476 1.00 45.13 H new ATOM 0 HE1 PHE A 28 30.743 -48.278 3.791 1.00 35.53 H new ATOM 0 HE2 PHE A 28 31.198 -46.389 7.585 1.00 3.10 H new ATOM 0 HZ PHE A 28 30.876 -48.430 6.246 1.00 43.15 H new ATOM 476 N SER A 29 32.362 -44.090 0.944 1.00 52.51 N ATOM 477 CA SER A 29 32.556 -44.943 -0.223 1.00 13.43 C ATOM 478 C SER A 29 33.831 -44.561 -0.969 1.00 33.22 C ATOM 479 O SER A 29 34.147 -45.134 -2.011 1.00 72.10 O ATOM 480 CB SER A 29 31.352 -44.840 -1.161 1.00 70.24 C ATOM 481 OG SER A 29 31.253 -43.544 -1.725 1.00 2.45 O ATOM 0 H SER A 29 31.748 -43.291 0.785 1.00 52.51 H new ATOM 0 HA SER A 29 32.652 -45.973 0.121 1.00 13.43 H new ATOM 0 HB2 SER A 29 31.443 -45.580 -1.956 1.00 70.24 H new ATOM 0 HB3 SER A 29 30.439 -45.072 -0.612 1.00 70.24 H new ATOM 0 HG SER A 29 30.477 -43.505 -2.322 1.00 2.45 H new ATOM 487 N GLN A 30 34.558 -43.590 -0.426 1.00 50.14 N ATOM 488 CA GLN A 30 35.798 -43.131 -1.041 1.00 2.13 C ATOM 489 C GLN A 30 36.910 -44.158 -0.856 1.00 30.40 C ATOM 490 O GLN A 30 37.843 -44.229 -1.657 1.00 55.30 O ATOM 491 CB GLN A 30 36.223 -41.789 -0.441 1.00 72.14 C ATOM 492 CG GLN A 30 37.091 -40.956 -1.370 1.00 4.32 C ATOM 493 CD GLN A 30 36.327 -39.821 -2.022 1.00 11.53 C ATOM 494 OE1 GLN A 30 36.796 -38.683 -2.061 1.00 0.31 O ATOM 495 NE2 GLN A 30 35.142 -40.124 -2.538 1.00 71.32 N ATOM 0 H GLN A 30 34.310 -43.106 0.437 1.00 50.14 H new ATOM 0 HA GLN A 30 35.619 -43.004 -2.109 1.00 2.13 H new ATOM 0 HB2 GLN A 30 35.332 -41.218 -0.181 1.00 72.14 H new ATOM 0 HB3 GLN A 30 36.767 -41.971 0.486 1.00 72.14 H new ATOM 0 HG2 GLN A 30 37.930 -40.548 -0.807 1.00 4.32 H new ATOM 0 HG3 GLN A 30 37.509 -41.599 -2.144 1.00 4.32 H new ATOM 0 HE21 GLN A 30 34.792 -41.080 -2.484 1.00 71.32 H new ATOM 0 HE22 GLN A 30 34.582 -39.400 -2.989 1.00 71.32 H new ATOM 504 N ILE A 31 36.805 -44.953 0.204 1.00 14.40 N ATOM 505 CA ILE A 31 37.801 -45.976 0.493 1.00 70.52 C ATOM 506 C ILE A 31 37.159 -47.357 0.588 1.00 44.43 C ATOM 507 O ILE A 31 37.693 -48.258 1.236 1.00 71.23 O ATOM 508 CB ILE A 31 38.549 -45.679 1.806 1.00 64.34 C ATOM 509 CG1 ILE A 31 37.578 -45.699 2.988 1.00 40.34 C ATOM 510 CG2 ILE A 31 39.259 -44.336 1.718 1.00 22.53 C ATOM 511 CD1 ILE A 31 38.245 -45.450 4.322 1.00 2.12 C ATOM 0 H ILE A 31 36.040 -44.908 0.877 1.00 14.40 H new ATOM 0 HA ILE A 31 38.513 -45.965 -0.332 1.00 70.52 H new ATOM 0 HB ILE A 31 39.298 -46.455 1.964 1.00 64.34 H new ATOM 0 HG12 ILE A 31 36.809 -44.943 2.829 1.00 40.34 H new ATOM 0 HG13 ILE A 31 37.074 -46.665 3.018 1.00 40.34 H new ATOM 0 HG21 ILE A 31 39.783 -44.140 2.653 1.00 22.53 H new ATOM 0 HG22 ILE A 31 39.976 -44.357 0.897 1.00 22.53 H new ATOM 0 HG23 ILE A 31 38.527 -43.548 1.540 1.00 22.53 H new ATOM 0 HD11 ILE A 31 37.497 -45.478 5.114 1.00 2.12 H new ATOM 0 HD12 ILE A 31 38.995 -46.220 4.503 1.00 2.12 H new ATOM 0 HD13 ILE A 31 38.725 -44.472 4.312 1.00 2.12 H new ATOM 523 N LEU A 32 36.013 -47.516 -0.063 1.00 55.34 N ATOM 524 CA LEU A 32 35.298 -48.787 -0.055 1.00 32.43 C ATOM 525 C LEU A 32 35.900 -49.758 -1.066 1.00 2.41 C ATOM 526 O LEU A 32 36.259 -49.385 -2.183 1.00 53.12 O ATOM 527 CB LEU A 32 33.817 -48.565 -0.365 1.00 15.44 C ATOM 528 CG LEU A 32 32.964 -49.826 -0.508 1.00 52.45 C ATOM 529 CD1 LEU A 32 32.251 -50.140 0.797 1.00 14.35 C ATOM 530 CD2 LEU A 32 31.960 -49.664 -1.641 1.00 22.40 C ATOM 0 H LEU A 32 35.558 -46.780 -0.604 1.00 55.34 H new ATOM 0 HA LEU A 32 35.393 -49.221 0.940 1.00 32.43 H new ATOM 0 HB2 LEU A 32 33.389 -47.949 0.426 1.00 15.44 H new ATOM 0 HB3 LEU A 32 33.742 -47.993 -1.290 1.00 15.44 H new ATOM 0 HG LEU A 32 33.622 -50.661 -0.748 1.00 52.45 H new ATOM 0 HD11 LEU A 32 31.649 -51.041 0.675 1.00 14.35 H new ATOM 0 HD12 LEU A 32 32.987 -50.299 1.585 1.00 14.35 H new ATOM 0 HD13 LEU A 32 31.604 -49.305 1.068 1.00 14.35 H new ATOM 0 HD21 LEU A 32 31.361 -50.571 -1.729 1.00 22.40 H new ATOM 0 HD22 LEU A 32 31.307 -48.817 -1.430 1.00 22.40 H new ATOM 0 HD23 LEU A 32 32.492 -49.488 -2.576 1.00 22.40 H new ATOM 542 N PRO A 33 36.013 -51.033 -0.668 1.00 21.45 N ATOM 543 CA PRO A 33 36.569 -52.084 -1.525 1.00 62.22 C ATOM 544 C PRO A 33 35.649 -52.427 -2.692 1.00 24.30 C ATOM 545 O PRO A 33 35.796 -51.889 -3.789 1.00 61.44 O ATOM 546 CB PRO A 33 36.702 -53.280 -0.579 1.00 62.55 C ATOM 547 CG PRO A 33 35.683 -53.041 0.481 1.00 43.54 C ATOM 548 CD PRO A 33 35.606 -51.548 0.651 1.00 62.54 C ATOM 0 HA PRO A 33 37.510 -51.780 -1.984 1.00 62.22 H new ATOM 0 HB2 PRO A 33 36.518 -54.219 -1.100 1.00 62.55 H new ATOM 0 HB3 PRO A 33 37.705 -53.341 -0.157 1.00 62.55 H new ATOM 0 HG2 PRO A 33 34.715 -53.451 0.192 1.00 43.54 H new ATOM 0 HG3 PRO A 33 35.969 -53.526 1.414 1.00 43.54 H new ATOM 0 HD2 PRO A 33 34.599 -51.225 0.915 1.00 62.54 H new ATOM 0 HD3 PRO A 33 36.270 -51.199 1.441 1.00 62.54 H new ATOM 556 N SER A 34 34.701 -53.326 -2.447 1.00 54.44 N ATOM 557 CA SER A 34 33.759 -53.743 -3.479 1.00 53.24 C ATOM 558 C SER A 34 34.495 -54.301 -4.693 1.00 70.42 C ATOM 559 O SER A 34 34.559 -53.679 -5.753 1.00 40.43 O ATOM 560 CB SER A 34 32.877 -52.566 -3.901 1.00 11.33 C ATOM 561 OG SER A 34 31.635 -53.017 -4.414 1.00 45.32 O ATOM 0 H SER A 34 34.565 -53.779 -1.543 1.00 54.44 H new ATOM 0 HA SER A 34 33.129 -54.530 -3.064 1.00 53.24 H new ATOM 0 HB2 SER A 34 32.705 -51.912 -3.046 1.00 11.33 H new ATOM 0 HB3 SER A 34 33.393 -51.974 -4.657 1.00 11.33 H new ATOM 0 HG SER A 34 31.089 -52.246 -4.675 1.00 45.32 H new ATOM 567 N PRO A 35 35.065 -55.505 -4.536 1.00 30.41 N ATOM 568 CA PRO A 35 35.807 -56.176 -5.608 1.00 10.03 C ATOM 569 C PRO A 35 34.896 -56.646 -6.737 1.00 4.10 C ATOM 570 O PRO A 35 33.688 -56.409 -6.713 1.00 51.12 O ATOM 571 CB PRO A 35 36.445 -57.375 -4.901 1.00 52.31 C ATOM 572 CG PRO A 35 35.557 -57.644 -3.735 1.00 42.43 C ATOM 573 CD PRO A 35 35.029 -56.305 -3.300 1.00 15.11 C ATOM 0 HA PRO A 35 36.528 -55.511 -6.083 1.00 10.03 H new ATOM 0 HB2 PRO A 35 36.503 -58.240 -5.562 1.00 52.31 H new ATOM 0 HB3 PRO A 35 37.462 -57.150 -4.580 1.00 52.31 H new ATOM 0 HG2 PRO A 35 34.743 -58.314 -4.011 1.00 42.43 H new ATOM 0 HG3 PRO A 35 36.108 -58.127 -2.928 1.00 42.43 H new ATOM 0 HD2 PRO A 35 34.018 -56.382 -2.901 1.00 15.11 H new ATOM 0 HD3 PRO A 35 35.647 -55.864 -2.518 1.00 15.11 H new ATOM 581 N LEU A 36 35.483 -57.313 -7.725 1.00 31.14 N ATOM 582 CA LEU A 36 34.724 -57.817 -8.864 1.00 33.42 C ATOM 583 C LEU A 36 34.728 -59.342 -8.889 1.00 30.52 C ATOM 584 O LEU A 36 35.661 -59.980 -8.400 1.00 42.13 O ATOM 585 CB LEU A 36 35.304 -57.273 -10.170 1.00 44.10 C ATOM 586 CG LEU A 36 36.830 -57.205 -10.250 1.00 11.25 C ATOM 587 CD1 LEU A 36 37.424 -58.603 -10.312 1.00 61.31 C ATOM 588 CD2 LEU A 36 37.265 -56.384 -11.455 1.00 0.02 C ATOM 0 H LEU A 36 36.482 -57.517 -7.760 1.00 31.14 H new ATOM 0 HA LEU A 36 33.694 -57.476 -8.762 1.00 33.42 H new ATOM 0 HB2 LEU A 36 34.944 -57.894 -10.990 1.00 44.10 H new ATOM 0 HB3 LEU A 36 34.907 -56.271 -10.331 1.00 44.10 H new ATOM 0 HG LEU A 36 37.200 -56.715 -9.349 1.00 11.25 H new ATOM 0 HD11 LEU A 36 38.510 -58.535 -10.369 1.00 61.31 H new ATOM 0 HD12 LEU A 36 37.141 -59.158 -9.418 1.00 61.31 H new ATOM 0 HD13 LEU A 36 37.047 -59.120 -11.194 1.00 61.31 H new ATOM 0 HD21 LEU A 36 38.354 -56.346 -11.496 1.00 0.02 H new ATOM 0 HD22 LEU A 36 36.883 -56.845 -12.366 1.00 0.02 H new ATOM 0 HD23 LEU A 36 36.870 -55.372 -11.367 1.00 0.02 H new ATOM 600 N LYS A 37 33.680 -59.922 -9.463 1.00 74.52 N ATOM 601 CA LYS A 37 33.563 -61.373 -9.556 1.00 54.12 C ATOM 602 C LYS A 37 32.343 -61.769 -10.382 1.00 52.51 C ATOM 603 O LYS A 37 31.332 -62.234 -9.856 1.00 74.23 O ATOM 604 CB LYS A 37 33.466 -61.988 -8.158 1.00 65.02 C ATOM 605 CG LYS A 37 33.984 -63.414 -8.084 1.00 71.24 C ATOM 606 CD LYS A 37 35.500 -63.463 -8.176 1.00 11.22 C ATOM 607 CE LYS A 37 35.979 -64.764 -8.802 1.00 1.35 C ATOM 608 NZ LYS A 37 37.463 -64.886 -8.759 1.00 34.32 N ATOM 0 H LYS A 37 32.898 -59.409 -9.871 1.00 74.52 H new ATOM 0 HA LYS A 37 34.456 -61.753 -10.053 1.00 54.12 H new ATOM 0 HB2 LYS A 37 34.028 -61.369 -7.458 1.00 65.02 H new ATOM 0 HB3 LYS A 37 32.425 -61.971 -7.834 1.00 65.02 H new ATOM 0 HG2 LYS A 37 33.661 -63.871 -7.149 1.00 71.24 H new ATOM 0 HG3 LYS A 37 33.550 -64.002 -8.893 1.00 71.24 H new ATOM 0 HD2 LYS A 37 35.857 -62.620 -8.768 1.00 11.22 H new ATOM 0 HD3 LYS A 37 35.930 -63.358 -7.180 1.00 11.22 H new ATOM 0 HE2 LYS A 37 35.530 -65.607 -8.277 1.00 1.35 H new ATOM 0 HE3 LYS A 37 35.640 -64.816 -9.837 1.00 1.35 H new ATOM 0 HZ1 LYS A 37 37.750 -65.786 -9.195 1.00 34.32 H new ATOM 0 HZ2 LYS A 37 37.892 -64.096 -9.282 1.00 34.32 H new ATOM 0 HZ3 LYS A 37 37.785 -64.862 -7.770 1.00 34.32 H new ATOM 622 N PRO A 38 32.438 -61.581 -11.707 1.00 31.11 N ATOM 623 CA PRO A 38 31.352 -61.914 -12.633 1.00 72.14 C ATOM 624 C PRO A 38 31.141 -63.419 -12.763 1.00 11.24 C ATOM 625 O PRO A 38 32.083 -64.202 -12.638 1.00 42.20 O ATOM 626 CB PRO A 38 31.827 -61.325 -13.964 1.00 3.33 C ATOM 627 CG PRO A 38 33.312 -61.289 -13.853 1.00 5.42 C ATOM 628 CD PRO A 38 33.613 -61.030 -12.402 1.00 62.33 C ATOM 0 HA PRO A 38 30.394 -61.521 -12.294 1.00 72.14 H new ATOM 0 HB2 PRO A 38 31.508 -61.940 -14.806 1.00 3.33 H new ATOM 0 HB3 PRO A 38 31.418 -60.328 -14.124 1.00 3.33 H new ATOM 0 HG2 PRO A 38 33.751 -62.232 -14.180 1.00 5.42 H new ATOM 0 HG3 PRO A 38 33.732 -60.506 -14.484 1.00 5.42 H new ATOM 0 HD2 PRO A 38 34.533 -61.523 -12.088 1.00 62.33 H new ATOM 0 HD3 PRO A 38 33.737 -59.966 -12.201 1.00 62.33 H new ATOM 636 N THR A 39 29.898 -63.818 -13.014 1.00 31.23 N ATOM 637 CA THR A 39 29.563 -65.229 -13.159 1.00 62.11 C ATOM 638 C THR A 39 29.818 -65.711 -14.583 1.00 10.22 C ATOM 639 O THR A 39 29.988 -66.906 -14.824 1.00 63.00 O ATOM 640 CB THR A 39 28.091 -65.498 -12.794 1.00 40.22 C ATOM 641 OG1 THR A 39 27.234 -64.629 -13.544 1.00 21.51 O ATOM 642 CG2 THR A 39 27.856 -65.289 -11.306 1.00 32.33 C ATOM 0 H THR A 39 29.107 -63.184 -13.121 1.00 31.23 H new ATOM 0 HA THR A 39 30.206 -65.778 -12.471 1.00 62.11 H new ATOM 0 HB THR A 39 27.862 -66.535 -13.040 1.00 40.22 H new ATOM 0 HG1 THR A 39 26.300 -64.807 -13.308 1.00 21.51 H new ATOM 0 HG21 THR A 39 26.810 -65.485 -11.072 1.00 32.33 H new ATOM 0 HG22 THR A 39 28.489 -65.971 -10.738 1.00 32.33 H new ATOM 0 HG23 THR A 39 28.101 -64.261 -11.040 1.00 32.33 H new ATOM 650 N LYS A 40 29.844 -64.773 -15.524 1.00 34.21 N ATOM 651 CA LYS A 40 30.080 -65.101 -16.925 1.00 12.11 C ATOM 652 C LYS A 40 31.429 -65.789 -17.103 1.00 23.34 C ATOM 653 O LYS A 40 31.650 -66.500 -18.084 1.00 11.44 O ATOM 654 CB LYS A 40 30.024 -63.835 -17.783 1.00 4.45 C ATOM 655 CG LYS A 40 29.945 -64.113 -19.274 1.00 14.14 C ATOM 656 CD LYS A 40 30.601 -63.007 -20.083 1.00 72.12 C ATOM 657 CE LYS A 40 32.115 -63.150 -20.098 1.00 30.43 C ATOM 658 NZ LYS A 40 32.796 -61.832 -20.224 1.00 13.14 N ATOM 0 H LYS A 40 29.704 -63.779 -15.342 1.00 34.21 H new ATOM 0 HA LYS A 40 29.297 -65.787 -17.248 1.00 12.11 H new ATOM 0 HB2 LYS A 40 29.158 -63.243 -17.486 1.00 4.45 H new ATOM 0 HB3 LYS A 40 30.908 -63.230 -17.581 1.00 4.45 H new ATOM 0 HG2 LYS A 40 30.431 -65.063 -19.494 1.00 14.14 H new ATOM 0 HG3 LYS A 40 28.901 -64.213 -19.572 1.00 14.14 H new ATOM 0 HD2 LYS A 40 30.222 -63.029 -21.105 1.00 72.12 H new ATOM 0 HD3 LYS A 40 30.330 -62.038 -19.663 1.00 72.12 H new ATOM 0 HE2 LYS A 40 32.442 -63.642 -19.182 1.00 30.43 H new ATOM 0 HE3 LYS A 40 32.411 -63.792 -20.928 1.00 30.43 H new ATOM 0 HZ1 LYS A 40 33.826 -61.973 -20.230 1.00 13.14 H new ATOM 0 HZ2 LYS A 40 32.504 -61.374 -21.111 1.00 13.14 H new ATOM 0 HZ3 LYS A 40 32.534 -61.228 -19.419 1.00 13.14 H new ATOM 672 N ARG A 41 32.328 -65.575 -16.147 1.00 60.32 N ATOM 673 CA ARG A 41 33.656 -66.176 -16.199 1.00 14.33 C ATOM 674 C ARG A 41 33.653 -67.557 -15.550 1.00 2.20 C ATOM 675 O ARG A 41 34.705 -68.171 -15.370 1.00 73.15 O ATOM 676 CB ARG A 41 34.674 -65.274 -15.499 1.00 41.42 C ATOM 677 CG ARG A 41 34.457 -65.159 -13.999 1.00 64.41 C ATOM 678 CD ARG A 41 35.743 -65.417 -13.229 1.00 61.43 C ATOM 679 NE ARG A 41 36.757 -64.401 -13.500 1.00 74.42 N ATOM 680 CZ ARG A 41 37.957 -64.391 -12.932 1.00 63.21 C ATOM 681 NH1 ARG A 41 38.293 -65.338 -12.067 1.00 11.14 N ATOM 682 NH2 ARG A 41 38.825 -63.433 -13.230 1.00 4.12 N ATOM 0 H ARG A 41 32.161 -64.991 -15.328 1.00 60.32 H new ATOM 0 HA ARG A 41 33.938 -66.286 -17.246 1.00 14.33 H new ATOM 0 HB2 ARG A 41 35.676 -65.660 -15.684 1.00 41.42 H new ATOM 0 HB3 ARG A 41 34.629 -64.279 -15.941 1.00 41.42 H new ATOM 0 HG2 ARG A 41 34.082 -64.164 -13.760 1.00 64.41 H new ATOM 0 HG3 ARG A 41 33.694 -65.871 -13.685 1.00 64.41 H new ATOM 0 HD2 ARG A 41 35.528 -65.438 -12.161 1.00 61.43 H new ATOM 0 HD3 ARG A 41 36.134 -66.399 -13.495 1.00 61.43 H new ATOM 0 HE ARG A 41 36.531 -63.659 -14.162 1.00 74.42 H new ATOM 0 HH11 ARG A 41 37.629 -66.077 -11.836 1.00 11.14 H new ATOM 0 HH12 ARG A 41 39.216 -65.328 -11.632 1.00 11.14 H new ATOM 0 HH21 ARG A 41 38.571 -62.703 -13.896 1.00 4.12 H new ATOM 0 HH22 ARG A 41 39.747 -63.426 -12.793 1.00 4.12 H new ATOM 696 N SER A 42 32.465 -68.039 -15.200 1.00 52.50 N ATOM 697 CA SER A 42 32.326 -69.345 -14.567 1.00 52.12 C ATOM 698 C SER A 42 32.784 -70.456 -15.508 1.00 1.55 C ATOM 699 O SER A 42 32.295 -70.575 -16.631 1.00 35.22 O ATOM 700 CB SER A 42 30.873 -69.581 -14.151 1.00 32.24 C ATOM 701 OG SER A 42 30.559 -68.868 -12.967 1.00 41.42 O ATOM 0 H SER A 42 31.585 -67.544 -15.344 1.00 52.50 H new ATOM 0 HA SER A 42 32.958 -69.360 -13.679 1.00 52.12 H new ATOM 0 HB2 SER A 42 30.206 -69.269 -14.955 1.00 32.24 H new ATOM 0 HB3 SER A 42 30.705 -70.646 -13.993 1.00 32.24 H new ATOM 0 HG SER A 42 30.292 -67.953 -13.197 1.00 41.42 H new ATOM 707 N PHE A 43 33.728 -71.266 -15.040 1.00 35.22 N ATOM 708 CA PHE A 43 34.254 -72.367 -15.838 1.00 61.20 C ATOM 709 C PHE A 43 33.248 -73.512 -15.917 1.00 12.50 C ATOM 710 O PHE A 43 33.228 -74.269 -16.888 1.00 25.14 O ATOM 711 CB PHE A 43 35.571 -72.871 -15.244 1.00 61.23 C ATOM 712 CG PHE A 43 36.281 -73.865 -16.119 1.00 3.15 C ATOM 713 CD1 PHE A 43 36.613 -73.545 -17.425 1.00 63.31 C ATOM 714 CD2 PHE A 43 36.616 -75.119 -15.634 1.00 3.03 C ATOM 715 CE1 PHE A 43 37.267 -74.457 -18.232 1.00 62.32 C ATOM 716 CE2 PHE A 43 37.271 -76.035 -16.436 1.00 15.22 C ATOM 717 CZ PHE A 43 37.595 -75.704 -17.737 1.00 62.00 C ATOM 0 H PHE A 43 34.144 -71.181 -14.113 1.00 35.22 H new ATOM 0 HA PHE A 43 34.436 -71.997 -16.847 1.00 61.20 H new ATOM 0 HB2 PHE A 43 36.229 -72.021 -15.066 1.00 61.23 H new ATOM 0 HB3 PHE A 43 35.372 -73.329 -14.275 1.00 61.23 H new ATOM 0 HD1 PHE A 43 36.358 -72.572 -17.817 1.00 63.31 H new ATOM 0 HD2 PHE A 43 36.363 -75.384 -14.618 1.00 3.03 H new ATOM 0 HE1 PHE A 43 37.521 -74.195 -19.248 1.00 62.32 H new ATOM 0 HE2 PHE A 43 37.529 -77.008 -16.046 1.00 15.22 H new ATOM 0 HZ PHE A 43 38.104 -76.419 -18.366 1.00 62.00 H new ATOM 727 N ILE A 44 32.414 -73.630 -14.889 1.00 64.40 N ATOM 728 CA ILE A 44 31.405 -74.681 -14.842 1.00 24.31 C ATOM 729 C ILE A 44 30.431 -74.560 -16.008 1.00 71.45 C ATOM 730 O ILE A 44 30.145 -75.541 -16.695 1.00 12.04 O ATOM 731 CB ILE A 44 30.614 -74.643 -13.521 1.00 25.51 C ATOM 732 CG1 ILE A 44 31.564 -74.781 -12.329 1.00 13.13 C ATOM 733 CG2 ILE A 44 29.566 -75.746 -13.500 1.00 12.53 C ATOM 734 CD1 ILE A 44 30.866 -74.703 -10.989 1.00 1.52 C ATOM 0 H ILE A 44 32.417 -73.011 -14.078 1.00 64.40 H new ATOM 0 HA ILE A 44 31.935 -75.631 -14.912 1.00 24.31 H new ATOM 0 HB ILE A 44 30.104 -73.682 -13.447 1.00 25.51 H new ATOM 0 HG12 ILE A 44 32.089 -75.733 -12.401 1.00 13.13 H new ATOM 0 HG13 ILE A 44 32.318 -73.996 -12.383 1.00 13.13 H new ATOM 0 HG21 ILE A 44 29.015 -75.707 -12.560 1.00 12.53 H new ATOM 0 HG22 ILE A 44 28.875 -75.607 -14.332 1.00 12.53 H new ATOM 0 HG23 ILE A 44 30.056 -76.715 -13.593 1.00 12.53 H new ATOM 0 HD11 ILE A 44 31.600 -74.808 -10.190 1.00 1.52 H new ATOM 0 HD12 ILE A 44 30.364 -73.740 -10.896 1.00 1.52 H new ATOM 0 HD13 ILE A 44 30.131 -75.504 -10.914 1.00 1.52 H new ATOM 746 N GLU A 45 29.926 -73.350 -16.228 1.00 32.42 N ATOM 747 CA GLU A 45 28.984 -73.102 -17.313 1.00 11.43 C ATOM 748 C GLU A 45 29.644 -73.331 -18.669 1.00 51.44 C ATOM 749 O GLU A 45 28.965 -73.453 -19.689 1.00 40.02 O ATOM 750 CB GLU A 45 28.443 -71.673 -17.231 1.00 4.50 C ATOM 751 CG GLU A 45 27.131 -71.475 -17.971 1.00 11.14 C ATOM 752 CD GLU A 45 26.614 -70.053 -17.872 1.00 10.20 C ATOM 753 OE1 GLU A 45 26.492 -69.544 -16.738 1.00 32.01 O ATOM 754 OE2 GLU A 45 26.332 -69.449 -18.928 1.00 14.02 O ATOM 0 H GLU A 45 30.153 -72.527 -15.670 1.00 32.42 H new ATOM 0 HA GLU A 45 28.156 -73.803 -17.209 1.00 11.43 H new ATOM 0 HB2 GLU A 45 28.303 -71.406 -16.183 1.00 4.50 H new ATOM 0 HB3 GLU A 45 29.187 -70.988 -17.638 1.00 4.50 H new ATOM 0 HG2 GLU A 45 27.267 -71.736 -19.021 1.00 11.14 H new ATOM 0 HG3 GLU A 45 26.384 -72.158 -17.567 1.00 11.14 H new ATOM 761 N ASP A 46 30.971 -73.387 -18.673 1.00 1.31 N ATOM 762 CA ASP A 46 31.724 -73.601 -19.903 1.00 61.32 C ATOM 763 C ASP A 46 31.853 -75.090 -20.209 1.00 34.30 C ATOM 764 O ASP A 46 31.838 -75.500 -21.370 1.00 61.15 O ATOM 765 CB ASP A 46 33.112 -72.969 -19.794 1.00 3.24 C ATOM 766 CG ASP A 46 33.658 -72.532 -21.139 1.00 74.52 C ATOM 767 OD1 ASP A 46 34.656 -71.782 -21.160 1.00 71.13 O ATOM 768 OD2 ASP A 46 33.087 -72.942 -22.171 1.00 73.13 O ATOM 0 H ASP A 46 31.548 -73.287 -17.838 1.00 1.31 H new ATOM 0 HA ASP A 46 31.180 -73.126 -20.719 1.00 61.32 H new ATOM 0 HB2 ASP A 46 33.064 -72.108 -19.128 1.00 3.24 H new ATOM 0 HB3 ASP A 46 33.799 -73.684 -19.342 1.00 3.24 H new ATOM 773 N LEU A 47 31.979 -75.895 -19.160 1.00 64.50 N ATOM 774 CA LEU A 47 32.112 -77.340 -19.316 1.00 12.12 C ATOM 775 C LEU A 47 30.970 -77.904 -20.155 1.00 34.03 C ATOM 776 O LEU A 47 31.131 -78.911 -20.846 1.00 40.30 O ATOM 777 CB LEU A 47 32.138 -78.020 -17.946 1.00 31.20 C ATOM 778 CG LEU A 47 30.776 -78.327 -17.323 1.00 74.30 C ATOM 779 CD1 LEU A 47 30.303 -79.714 -17.730 1.00 61.41 C ATOM 780 CD2 LEU A 47 30.843 -78.208 -15.807 1.00 62.35 C ATOM 0 H LEU A 47 31.992 -75.572 -18.192 1.00 64.50 H new ATOM 0 HA LEU A 47 33.051 -77.541 -19.832 1.00 12.12 H new ATOM 0 HB2 LEU A 47 32.692 -78.954 -18.037 1.00 31.20 H new ATOM 0 HB3 LEU A 47 32.695 -77.384 -17.258 1.00 31.20 H new ATOM 0 HG LEU A 47 30.056 -77.597 -17.693 1.00 74.30 H new ATOM 0 HD11 LEU A 47 29.332 -79.915 -17.277 1.00 61.41 H new ATOM 0 HD12 LEU A 47 30.215 -79.764 -18.815 1.00 61.41 H new ATOM 0 HD13 LEU A 47 31.023 -80.458 -17.390 1.00 61.41 H new ATOM 0 HD21 LEU A 47 29.865 -78.430 -15.381 1.00 62.35 H new ATOM 0 HD22 LEU A 47 31.577 -78.914 -15.419 1.00 62.35 H new ATOM 0 HD23 LEU A 47 31.136 -77.194 -15.534 1.00 62.35 H new ATOM 792 N LEU A 48 29.816 -77.248 -20.091 1.00 60.31 N ATOM 793 CA LEU A 48 28.646 -77.683 -20.847 1.00 3.31 C ATOM 794 C LEU A 48 28.780 -77.309 -22.320 1.00 30.03 C ATOM 795 O LEU A 48 28.269 -78.006 -23.197 1.00 12.23 O ATOM 796 CB LEU A 48 27.377 -77.059 -20.264 1.00 3.22 C ATOM 797 CG LEU A 48 27.080 -75.621 -20.689 1.00 52.44 C ATOM 798 CD1 LEU A 48 26.191 -75.602 -21.923 1.00 73.12 C ATOM 799 CD2 LEU A 48 26.429 -74.851 -19.549 1.00 42.34 C ATOM 0 H LEU A 48 29.665 -76.414 -19.524 1.00 60.31 H new ATOM 0 HA LEU A 48 28.578 -78.768 -20.771 1.00 3.31 H new ATOM 0 HB2 LEU A 48 26.528 -77.682 -20.544 1.00 3.22 H new ATOM 0 HB3 LEU A 48 27.448 -77.088 -19.177 1.00 3.22 H new ATOM 0 HG LEU A 48 28.023 -75.134 -20.938 1.00 52.44 H new ATOM 0 HD11 LEU A 48 25.990 -74.570 -22.211 1.00 73.12 H new ATOM 0 HD12 LEU A 48 26.694 -76.116 -22.742 1.00 73.12 H new ATOM 0 HD13 LEU A 48 25.250 -76.107 -21.702 1.00 73.12 H new ATOM 0 HD21 LEU A 48 26.225 -73.829 -19.870 1.00 42.34 H new ATOM 0 HD22 LEU A 48 25.494 -75.337 -19.269 1.00 42.34 H new ATOM 0 HD23 LEU A 48 27.101 -74.834 -18.691 1.00 42.34 H new ATOM 811 N PHE A 49 29.472 -76.206 -22.584 1.00 41.04 N ATOM 812 CA PHE A 49 29.675 -75.740 -23.951 1.00 75.03 C ATOM 813 C PHE A 49 30.643 -76.652 -24.699 1.00 52.11 C ATOM 814 O PHE A 49 30.438 -76.964 -25.871 1.00 63.03 O ATOM 815 CB PHE A 49 30.205 -74.305 -23.950 1.00 45.02 C ATOM 816 CG PHE A 49 30.318 -73.706 -25.323 1.00 62.52 C ATOM 817 CD1 PHE A 49 29.254 -73.765 -26.208 1.00 51.52 C ATOM 818 CD2 PHE A 49 31.489 -73.086 -25.729 1.00 30.22 C ATOM 819 CE1 PHE A 49 29.354 -73.214 -27.472 1.00 62.43 C ATOM 820 CE2 PHE A 49 31.595 -72.534 -26.991 1.00 50.03 C ATOM 821 CZ PHE A 49 30.527 -72.599 -27.865 1.00 32.24 C ATOM 0 H PHE A 49 29.902 -75.618 -21.870 1.00 41.04 H new ATOM 0 HA PHE A 49 28.713 -75.764 -24.463 1.00 75.03 H new ATOM 0 HB2 PHE A 49 29.546 -73.683 -23.344 1.00 45.02 H new ATOM 0 HB3 PHE A 49 31.185 -74.289 -23.473 1.00 45.02 H new ATOM 0 HD1 PHE A 49 28.336 -74.247 -25.907 1.00 51.52 H new ATOM 0 HD2 PHE A 49 32.328 -73.034 -25.051 1.00 30.22 H new ATOM 0 HE1 PHE A 49 28.516 -73.264 -28.151 1.00 62.43 H new ATOM 0 HE2 PHE A 49 32.513 -72.052 -27.294 1.00 50.03 H new ATOM 0 HZ PHE A 49 30.609 -72.170 -28.853 1.00 32.24 H new ATOM 831 N ASN A 50 31.698 -77.075 -24.011 1.00 65.03 N ATOM 832 CA ASN A 50 32.700 -77.950 -24.610 1.00 31.23 C ATOM 833 C ASN A 50 32.145 -79.358 -24.806 1.00 11.22 C ATOM 834 O ASN A 50 32.281 -79.947 -25.878 1.00 61.30 O ATOM 835 CB ASN A 50 33.952 -78.001 -23.732 1.00 64.44 C ATOM 836 CG ASN A 50 35.199 -78.345 -24.524 1.00 43.23 C ATOM 837 OD1 ASN A 50 36.067 -77.497 -24.735 1.00 61.54 O ATOM 838 ND2 ASN A 50 35.294 -79.593 -24.967 1.00 74.22 N ATOM 0 H ASN A 50 31.882 -76.827 -23.039 1.00 65.03 H new ATOM 0 HA ASN A 50 32.965 -77.544 -25.586 1.00 31.23 H new ATOM 0 HB2 ASN A 50 34.090 -77.036 -23.243 1.00 64.44 H new ATOM 0 HB3 ASN A 50 33.810 -78.740 -22.944 1.00 64.44 H new ATOM 0 HD21 ASN A 50 36.110 -79.882 -25.506 1.00 74.22 H new ATOM 0 HD22 ASN A 50 34.551 -80.263 -24.769 1.00 74.22 H new ATOM 845 N LYS A 51 31.518 -79.891 -23.763 1.00 31.12 N ATOM 846 CA LYS A 51 30.940 -81.228 -23.819 1.00 33.41 C ATOM 847 C LYS A 51 29.768 -81.274 -24.794 1.00 70.14 C ATOM 848 O LYS A 51 29.474 -82.317 -25.379 1.00 43.12 O ATOM 849 CB LYS A 51 30.476 -81.665 -22.427 1.00 52.33 C ATOM 850 CG LYS A 51 31.537 -82.412 -21.639 1.00 22.21 C ATOM 851 CD LYS A 51 32.540 -81.459 -21.011 1.00 11.23 C ATOM 852 CE LYS A 51 33.817 -82.180 -20.607 1.00 42.44 C ATOM 853 NZ LYS A 51 34.892 -81.226 -20.217 1.00 24.10 N ATOM 0 H LYS A 51 31.397 -79.417 -22.868 1.00 31.12 H new ATOM 0 HA LYS A 51 31.710 -81.914 -24.171 1.00 33.41 H new ATOM 0 HB2 LYS A 51 30.169 -80.785 -21.863 1.00 52.33 H new ATOM 0 HB3 LYS A 51 29.597 -82.301 -22.529 1.00 52.33 H new ATOM 0 HG2 LYS A 51 31.061 -83.006 -20.859 1.00 22.21 H new ATOM 0 HG3 LYS A 51 32.058 -83.108 -22.297 1.00 22.21 H new ATOM 0 HD2 LYS A 51 32.778 -80.663 -21.717 1.00 11.23 H new ATOM 0 HD3 LYS A 51 32.095 -80.986 -20.135 1.00 11.23 H new ATOM 0 HE2 LYS A 51 33.607 -82.851 -19.774 1.00 42.44 H new ATOM 0 HE3 LYS A 51 34.163 -82.798 -21.435 1.00 42.44 H new ATOM 0 HZ1 LYS A 51 35.746 -81.756 -19.948 1.00 24.10 H new ATOM 0 HZ2 LYS A 51 35.110 -80.602 -21.020 1.00 24.10 H new ATOM 0 HZ3 LYS A 51 34.572 -80.653 -19.410 1.00 24.10 H new ATOM 867 N VAL A 52 29.102 -80.136 -24.967 1.00 24.44 N ATOM 868 CA VAL A 52 27.964 -80.046 -25.874 1.00 23.24 C ATOM 869 C VAL A 52 26.837 -80.974 -25.434 1.00 52.44 C ATOM 870 O VAL A 52 26.599 -82.015 -26.047 1.00 63.04 O ATOM 871 CB VAL A 52 28.369 -80.396 -27.318 1.00 53.01 C ATOM 872 CG1 VAL A 52 27.201 -80.176 -28.268 1.00 1.13 C ATOM 873 CG2 VAL A 52 29.577 -79.576 -27.746 1.00 75.20 C ATOM 0 H VAL A 52 29.331 -79.264 -24.491 1.00 24.44 H new ATOM 0 HA VAL A 52 27.614 -79.014 -25.843 1.00 23.24 H new ATOM 0 HB VAL A 52 28.643 -81.450 -27.355 1.00 53.01 H new ATOM 0 HG11 VAL A 52 27.506 -80.428 -29.284 1.00 1.13 H new ATOM 0 HG12 VAL A 52 26.366 -80.811 -27.971 1.00 1.13 H new ATOM 0 HG13 VAL A 52 26.893 -79.131 -28.231 1.00 1.13 H new ATOM 0 HG21 VAL A 52 29.849 -79.836 -28.769 1.00 75.20 H new ATOM 0 HG22 VAL A 52 29.333 -78.515 -27.694 1.00 75.20 H new ATOM 0 HG23 VAL A 52 30.415 -79.789 -27.082 1.00 75.20 H new ATOM 883 N THR A 53 26.143 -80.589 -24.368 1.00 13.42 N ATOM 884 CA THR A 53 25.040 -81.385 -23.845 1.00 71.33 C ATOM 885 C THR A 53 23.859 -81.389 -24.809 1.00 50.23 C ATOM 886 O THR A 53 23.052 -82.320 -24.816 1.00 2.44 O ATOM 887 CB THR A 53 24.568 -80.862 -22.476 1.00 2.24 C ATOM 888 OG1 THR A 53 23.497 -81.675 -21.983 1.00 3.43 O ATOM 889 CG2 THR A 53 24.108 -79.415 -22.578 1.00 60.53 C ATOM 0 H THR A 53 26.326 -79.730 -23.849 1.00 13.42 H new ATOM 0 HA THR A 53 25.414 -82.402 -23.727 1.00 71.33 H new ATOM 0 HB THR A 53 25.409 -80.911 -21.784 1.00 2.24 H new ATOM 0 HG1 THR A 53 23.204 -81.336 -21.111 1.00 3.43 H new ATOM 0 HG21 THR A 53 23.779 -79.068 -21.598 1.00 60.53 H new ATOM 0 HG22 THR A 53 24.934 -78.794 -22.925 1.00 60.53 H new ATOM 0 HG23 THR A 53 23.281 -79.345 -23.284 1.00 60.53 H new ATOM 897 N LEU A 54 23.763 -80.343 -25.623 1.00 71.54 N ATOM 898 CA LEU A 54 22.680 -80.226 -26.594 1.00 32.35 C ATOM 899 C LEU A 54 22.604 -81.467 -27.478 1.00 30.05 C ATOM 900 O LEU A 54 21.535 -81.827 -27.969 1.00 14.22 O ATOM 901 CB LEU A 54 22.877 -78.981 -27.459 1.00 53.42 C ATOM 902 CG LEU A 54 21.603 -78.340 -28.013 1.00 65.12 C ATOM 903 CD1 LEU A 54 20.693 -77.895 -26.879 1.00 72.53 C ATOM 904 CD2 LEU A 54 21.947 -77.164 -28.916 1.00 22.31 C ATOM 0 H LEU A 54 24.422 -79.564 -25.630 1.00 71.54 H new ATOM 0 HA LEU A 54 21.742 -80.135 -26.046 1.00 32.35 H new ATOM 0 HB2 LEU A 54 23.409 -78.234 -26.870 1.00 53.42 H new ATOM 0 HB3 LEU A 54 23.522 -79.244 -28.298 1.00 53.42 H new ATOM 0 HG LEU A 54 21.073 -79.085 -28.606 1.00 65.12 H new ATOM 0 HD11 LEU A 54 19.792 -77.441 -27.292 1.00 72.53 H new ATOM 0 HD12 LEU A 54 20.419 -78.758 -26.272 1.00 72.53 H new ATOM 0 HD13 LEU A 54 21.214 -77.166 -26.259 1.00 72.53 H new ATOM 0 HD21 LEU A 54 21.029 -76.720 -29.301 1.00 22.31 H new ATOM 0 HD22 LEU A 54 22.500 -76.417 -28.346 1.00 22.31 H new ATOM 0 HD23 LEU A 54 22.559 -77.511 -29.748 1.00 22.31 H new ATOM 916 N ALA A 55 23.746 -82.118 -27.674 1.00 32.23 N ATOM 917 CA ALA A 55 23.808 -83.321 -28.495 1.00 31.14 C ATOM 918 C ALA A 55 22.764 -84.342 -28.053 1.00 5.41 C ATOM 919 O ALA A 55 22.269 -85.126 -28.862 1.00 33.54 O ATOM 920 CB ALA A 55 25.201 -83.929 -28.436 1.00 5.14 C ATOM 0 H ALA A 55 24.641 -81.833 -27.276 1.00 32.23 H new ATOM 0 HA ALA A 55 23.590 -83.039 -29.525 1.00 31.14 H new ATOM 0 HB1 ALA A 55 25.233 -84.827 -29.054 1.00 5.14 H new ATOM 0 HB2 ALA A 55 25.929 -83.207 -28.807 1.00 5.14 H new ATOM 0 HB3 ALA A 55 25.441 -84.189 -27.405 1.00 5.14 H new ATOM 926 N ASP A 56 22.436 -84.326 -26.766 1.00 1.32 N ATOM 927 CA ASP A 56 21.451 -85.250 -26.217 1.00 31.04 C ATOM 928 C ASP A 56 20.127 -85.143 -26.967 1.00 43.25 C ATOM 929 O ASP A 56 19.464 -86.147 -27.222 1.00 34.32 O ATOM 930 CB ASP A 56 21.232 -84.971 -24.729 1.00 14.51 C ATOM 931 CG ASP A 56 20.298 -85.975 -24.083 1.00 11.14 C ATOM 932 OD1 ASP A 56 20.747 -86.702 -23.172 1.00 32.32 O ATOM 933 OD2 ASP A 56 19.118 -86.033 -24.487 1.00 30.01 O ATOM 0 H ASP A 56 22.838 -83.683 -26.083 1.00 1.32 H new ATOM 0 HA ASP A 56 21.835 -86.263 -26.336 1.00 31.04 H new ATOM 0 HB2 ASP A 56 22.192 -84.989 -24.214 1.00 14.51 H new ATOM 0 HB3 ASP A 56 20.823 -83.968 -24.607 1.00 14.51 H new ATOM 938 N ALA A 57 19.750 -83.918 -27.318 1.00 54.15 N ATOM 939 CA ALA A 57 18.506 -83.679 -28.041 1.00 22.52 C ATOM 940 C ALA A 57 18.590 -84.209 -29.468 1.00 44.13 C ATOM 941 O ALA A 57 17.576 -84.551 -30.075 1.00 1.21 O ATOM 942 CB ALA A 57 18.175 -82.195 -28.045 1.00 53.52 C ATOM 0 H ALA A 57 20.288 -83.076 -27.114 1.00 54.15 H new ATOM 0 HA ALA A 57 17.708 -84.216 -27.529 1.00 22.52 H new ATOM 0 HB1 ALA A 57 17.244 -82.031 -28.588 1.00 53.52 H new ATOM 0 HB2 ALA A 57 18.063 -81.844 -27.019 1.00 53.52 H new ATOM 0 HB3 ALA A 57 18.980 -81.644 -28.531 1.00 53.52 H new ATOM 948 N GLY A 58 19.807 -84.273 -30.000 1.00 64.21 N ATOM 949 CA GLY A 58 20.001 -84.761 -31.353 1.00 71.21 C ATOM 950 C GLY A 58 19.890 -86.270 -31.447 1.00 23.15 C ATOM 951 O GLY A 58 19.318 -86.800 -32.399 1.00 34.11 O ATOM 0 H GLY A 58 20.662 -83.996 -29.518 1.00 64.21 H new ATOM 0 HA2 GLY A 58 19.261 -84.304 -32.010 1.00 71.21 H new ATOM 0 HA3 GLY A 58 20.982 -84.449 -31.711 1.00 71.21 H new ATOM 955 N PHE A 59 20.441 -86.965 -30.456 1.00 41.45 N ATOM 956 CA PHE A 59 20.404 -88.422 -30.432 1.00 61.23 C ATOM 957 C PHE A 59 18.965 -88.930 -30.457 1.00 65.21 C ATOM 958 O PHE A 59 18.685 -90.006 -30.984 1.00 22.51 O ATOM 959 CB PHE A 59 21.122 -88.951 -29.189 1.00 63.21 C ATOM 960 CG PHE A 59 22.608 -89.086 -29.367 1.00 13.12 C ATOM 961 CD1 PHE A 59 23.251 -90.272 -29.054 1.00 24.21 C ATOM 962 CD2 PHE A 59 23.360 -88.026 -29.846 1.00 42.22 C ATOM 963 CE1 PHE A 59 24.618 -90.400 -29.217 1.00 1.34 C ATOM 964 CE2 PHE A 59 24.727 -88.148 -30.011 1.00 40.53 C ATOM 965 CZ PHE A 59 25.357 -89.335 -29.695 1.00 31.41 C ATOM 0 H PHE A 59 20.918 -86.542 -29.660 1.00 41.45 H new ATOM 0 HA PHE A 59 20.916 -88.788 -31.322 1.00 61.23 H new ATOM 0 HB2 PHE A 59 20.924 -88.281 -28.352 1.00 63.21 H new ATOM 0 HB3 PHE A 59 20.706 -89.923 -28.925 1.00 63.21 H new ATOM 0 HD1 PHE A 59 22.678 -91.107 -28.678 1.00 24.21 H new ATOM 0 HD2 PHE A 59 22.873 -87.094 -30.093 1.00 42.22 H new ATOM 0 HE1 PHE A 59 25.107 -91.331 -28.971 1.00 1.34 H new ATOM 0 HE2 PHE A 59 25.302 -87.315 -30.387 1.00 40.53 H new ATOM 0 HZ PHE A 59 26.425 -89.431 -29.821 1.00 31.41 H new ATOM 975 N MET A 60 18.058 -88.147 -29.883 1.00 31.53 N ATOM 976 CA MET A 60 16.648 -88.517 -29.839 1.00 71.33 C ATOM 977 C MET A 60 16.092 -88.706 -31.247 1.00 53.20 C ATOM 978 O MET A 60 15.263 -89.584 -31.486 1.00 32.31 O ATOM 979 CB MET A 60 15.841 -87.449 -29.098 1.00 61.42 C ATOM 980 CG MET A 60 14.479 -87.934 -28.629 1.00 11.33 C ATOM 981 SD MET A 60 14.551 -88.767 -27.031 1.00 54.42 S ATOM 982 CE MET A 60 14.479 -87.367 -25.916 1.00 54.10 C ATOM 0 H MET A 60 18.274 -87.253 -29.442 1.00 31.53 H new ATOM 0 HA MET A 60 16.562 -89.463 -29.304 1.00 71.33 H new ATOM 0 HB2 MET A 60 16.413 -87.107 -28.235 1.00 61.42 H new ATOM 0 HB3 MET A 60 15.706 -86.588 -29.753 1.00 61.42 H new ATOM 0 HG2 MET A 60 13.799 -87.085 -28.562 1.00 11.33 H new ATOM 0 HG3 MET A 60 14.065 -88.616 -29.372 1.00 11.33 H new ATOM 0 HE1 MET A 60 14.514 -87.720 -24.885 1.00 54.10 H new ATOM 0 HE2 MET A 60 15.328 -86.709 -26.103 1.00 54.10 H new ATOM 0 HE3 MET A 60 13.551 -86.819 -26.080 1.00 54.10 H new ATOM 992 N LYS A 61 16.552 -87.876 -32.176 1.00 44.55 N ATOM 993 CA LYS A 61 16.102 -87.951 -33.561 1.00 41.42 C ATOM 994 C LYS A 61 16.702 -89.165 -34.263 1.00 51.23 C ATOM 995 O LYS A 61 16.078 -89.752 -35.147 1.00 23.34 O ATOM 996 CB LYS A 61 16.484 -86.673 -34.313 1.00 74.51 C ATOM 997 CG LYS A 61 15.397 -85.612 -34.299 1.00 3.11 C ATOM 998 CD LYS A 61 14.502 -85.714 -35.523 1.00 3.54 C ATOM 999 CE LYS A 61 13.586 -86.925 -35.444 1.00 15.44 C ATOM 1000 NZ LYS A 61 12.676 -86.856 -34.267 1.00 12.23 N ATOM 0 H LYS A 61 17.237 -87.142 -31.995 1.00 44.55 H new ATOM 0 HA LYS A 61 15.017 -88.054 -33.559 1.00 41.42 H new ATOM 0 HB2 LYS A 61 17.390 -86.259 -33.872 1.00 74.51 H new ATOM 0 HB3 LYS A 61 16.720 -86.926 -35.347 1.00 74.51 H new ATOM 0 HG2 LYS A 61 14.795 -85.719 -33.397 1.00 3.11 H new ATOM 0 HG3 LYS A 61 15.853 -84.623 -34.262 1.00 3.11 H new ATOM 0 HD2 LYS A 61 13.902 -84.808 -35.613 1.00 3.54 H new ATOM 0 HD3 LYS A 61 15.117 -85.780 -36.420 1.00 3.54 H new ATOM 0 HE2 LYS A 61 12.994 -86.993 -36.357 1.00 15.44 H new ATOM 0 HE3 LYS A 61 14.187 -87.832 -35.385 1.00 15.44 H new ATOM 0 HZ1 LYS A 61 11.700 -87.050 -34.571 1.00 12.23 H new ATOM 0 HZ2 LYS A 61 12.966 -87.563 -33.562 1.00 12.23 H new ATOM 0 HZ3 LYS A 61 12.725 -85.907 -33.845 1.00 12.23 H new ATOM 1014 N GLN A 62 17.914 -89.535 -33.863 1.00 60.21 N ATOM 1015 CA GLN A 62 18.596 -90.680 -34.454 1.00 64.22 C ATOM 1016 C GLN A 62 18.052 -91.989 -33.891 1.00 2.34 C ATOM 1017 O GLN A 62 18.110 -93.030 -34.545 1.00 43.12 O ATOM 1018 CB GLN A 62 20.102 -90.589 -34.202 1.00 23.45 C ATOM 1019 CG GLN A 62 20.929 -91.465 -35.129 1.00 73.14 C ATOM 1020 CD GLN A 62 20.714 -91.131 -36.592 1.00 73.04 C ATOM 1021 OE1 GLN A 62 20.035 -91.862 -37.315 1.00 1.23 O ATOM 1022 NE2 GLN A 62 21.292 -90.022 -37.038 1.00 12.32 N ATOM 0 H GLN A 62 18.444 -89.059 -33.133 1.00 60.21 H new ATOM 0 HA GLN A 62 18.413 -90.665 -35.528 1.00 64.22 H new ATOM 0 HB2 GLN A 62 20.419 -89.552 -34.317 1.00 23.45 H new ATOM 0 HB3 GLN A 62 20.307 -90.872 -33.170 1.00 23.45 H new ATOM 0 HG2 GLN A 62 21.985 -91.350 -34.885 1.00 73.14 H new ATOM 0 HG3 GLN A 62 20.674 -92.511 -34.958 1.00 73.14 H new ATOM 0 HE21 GLN A 62 21.846 -89.445 -36.405 1.00 12.32 H new ATOM 0 HE22 GLN A 62 21.182 -89.747 -38.014 1.00 12.32 H new ATOM 1031 N TYR A 63 17.524 -91.928 -32.673 1.00 62.43 N ATOM 1032 CA TYR A 63 16.972 -93.109 -32.020 1.00 61.33 C ATOM 1033 C TYR A 63 15.962 -93.810 -32.924 1.00 43.23 C ATOM 1034 O TYR A 63 15.837 -95.033 -32.904 1.00 23.54 O ATOM 1035 CB TYR A 63 16.307 -92.723 -30.698 1.00 4.11 C ATOM 1036 CG TYR A 63 16.084 -93.894 -29.768 1.00 14.32 C ATOM 1037 CD1 TYR A 63 14.814 -94.191 -29.286 1.00 44.32 C ATOM 1038 CD2 TYR A 63 17.141 -94.702 -29.370 1.00 31.42 C ATOM 1039 CE1 TYR A 63 14.605 -95.259 -28.436 1.00 0.03 C ATOM 1040 CE2 TYR A 63 16.941 -95.774 -28.521 1.00 14.52 C ATOM 1041 CZ TYR A 63 15.671 -96.048 -28.056 1.00 41.43 C ATOM 1042 OH TYR A 63 15.468 -97.113 -27.209 1.00 53.13 O ATOM 0 H TYR A 63 17.467 -91.074 -32.119 1.00 62.43 H new ATOM 0 HA TYR A 63 17.792 -93.798 -31.819 1.00 61.33 H new ATOM 0 HB2 TYR A 63 16.926 -91.981 -30.193 1.00 4.11 H new ATOM 0 HB3 TYR A 63 15.348 -92.249 -30.908 1.00 4.11 H new ATOM 0 HD1 TYR A 63 13.977 -93.576 -29.581 1.00 44.32 H new ATOM 0 HD2 TYR A 63 18.137 -94.489 -29.730 1.00 31.42 H new ATOM 0 HE1 TYR A 63 13.612 -95.476 -28.071 1.00 0.03 H new ATOM 0 HE2 TYR A 63 17.774 -96.394 -28.223 1.00 14.52 H new ATOM 0 HH TYR A 63 16.321 -97.565 -27.042 1.00 53.13 H new ATOM 1052 N GLY A 64 15.243 -93.023 -33.719 1.00 43.40 N ATOM 1053 CA GLY A 64 14.254 -93.583 -34.620 1.00 71.44 C ATOM 1054 C GLY A 64 14.848 -94.603 -35.572 1.00 30.35 C ATOM 1055 O GLY A 64 15.901 -94.369 -36.163 1.00 61.03 O ATOM 0 H GLY A 64 15.328 -92.007 -33.755 1.00 43.40 H new ATOM 0 HA2 GLY A 64 13.461 -94.053 -34.038 1.00 71.44 H new ATOM 0 HA3 GLY A 64 13.794 -92.779 -35.195 1.00 71.44 H new ATOM 1059 N GLU A 65 14.172 -95.739 -35.717 1.00 51.43 N ATOM 1060 CA GLU A 65 14.642 -96.799 -36.602 1.00 12.54 C ATOM 1061 C GLU A 65 13.891 -96.771 -37.930 1.00 64.41 C ATOM 1062 O GLU A 65 12.841 -96.141 -38.048 1.00 22.12 O ATOM 1063 CB GLU A 65 14.469 -98.164 -35.934 1.00 22.33 C ATOM 1064 CG GLU A 65 14.834 -99.333 -36.834 1.00 53.42 C ATOM 1065 CD GLU A 65 13.668 -99.800 -37.685 1.00 2.55 C ATOM 1066 OE1 GLU A 65 12.567 -99.227 -37.546 1.00 32.32 O ATOM 1067 OE2 GLU A 65 13.857-100.736 -38.488 1.00 21.51 O ATOM 0 H GLU A 65 13.299 -95.949 -35.234 1.00 51.43 H new ATOM 0 HA GLU A 65 15.701 -96.631 -36.800 1.00 12.54 H new ATOM 0 HB2 GLU A 65 15.087 -98.201 -35.037 1.00 22.33 H new ATOM 0 HB3 GLU A 65 13.433 -98.273 -35.613 1.00 22.33 H new ATOM 0 HG2 GLU A 65 15.660 -99.043 -37.484 1.00 53.42 H new ATOM 0 HG3 GLU A 65 15.187-100.162 -36.221 1.00 53.42 H new TER 1074 GLU A 65