USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 13 ASN : amide:sc= -0.0698 K(o=-11,f=-9.1) USER MOD Set 1.2: A 41 HIS : no HE2:sc= -5.8 K(o=-11,f=-9.1!) USER MOD Set 1.3: A 43 GLN : amide:sc= -4.86! C(o=-11!,f=-15!) USER MOD Set 2.1: A 31 GLN : amide:sc= -4.46 K(o=-4.7,f=-7.3) USER MOD Set 2.2: A 81 MET CE :methyl 148:sc= -0.195 (180deg=-1.95!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -6.56! C(o=-19!,f=-22!) USER MOD Set 3.2: A 25 MET CE :methyl -150:sc= -4.44! (180deg=-6.94!) USER MOD Set 3.3: A 48 MET CE :methyl -111:sc= -4.5! (180deg=-1.28) USER MOD Set 3.4: A 57 MET CE :methyl -116:sc= -3.67! (180deg=-5.93!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 9 CYS SG : rot -10:sc= 0.668 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.06 K(o=-2.1,f=-4.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 150:sc= -1.38 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -67:sc= -0.0874 USER MOD Single : A 34 GLN : amide:sc=-0.00824 X(o=-0.0082,f=-0.1) USER MOD Single : A 39 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.065) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.697 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00394 X(o=-0.0039,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -37:sc= 0.117 USER MOD Single : A 73 GLN : amide:sc= -0.897 K(o=-0.9,f=-2.3!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 110:sc= -0.572 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 149:sc= 1.02 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.769 -0.333 17.519 1.00 11.30 N ATOM 12 CA ARG A 3 -10.420 -0.872 17.400 1.00 61.12 C ATOM 13 C ARG A 3 -9.742 -0.365 16.130 1.00 20.22 C ATOM 14 O ARG A 3 -10.402 -0.107 15.124 1.00 10.43 O ATOM 15 CB ARG A 3 -10.458 -2.401 17.395 1.00 62.43 C ATOM 16 CG ARG A 3 -10.268 -3.020 18.770 1.00 13.11 C ATOM 17 CD ARG A 3 -11.581 -3.546 19.330 1.00 64.42 C ATOM 18 NE ARG A 3 -11.566 -3.614 20.789 1.00 44.34 N ATOM 19 CZ ARG A 3 -11.010 -4.607 21.473 1.00 63.43 C ATOM 20 NH1 ARG A 3 -10.426 -5.612 20.833 1.00 1.44 N ATOM 21 NH2 ARG A 3 -11.037 -4.598 22.799 1.00 5.43 N ATOM 0 HA ARG A 3 -9.843 -0.532 18.260 1.00 61.12 H new ATOM 0 HB2 ARG A 3 -11.413 -2.731 16.986 1.00 62.43 H new ATOM 0 HB3 ARG A 3 -9.680 -2.773 16.728 1.00 62.43 H new ATOM 0 HG2 ARG A 3 -9.546 -3.834 18.707 1.00 13.11 H new ATOM 0 HG3 ARG A 3 -9.852 -2.277 19.451 1.00 13.11 H new ATOM 0 HD2 ARG A 3 -12.398 -2.901 19.006 1.00 64.42 H new ATOM 0 HD3 ARG A 3 -11.777 -4.538 18.923 1.00 64.42 H new ATOM 0 HE ARG A 3 -12.007 -2.857 21.311 1.00 44.34 H new ATOM 0 HH11 ARG A 3 -10.403 -5.623 19.813 1.00 1.44 H new ATOM 0 HH12 ARG A 3 -10.000 -6.374 21.361 1.00 1.44 H new ATOM 0 HH21 ARG A 3 -11.485 -3.828 23.295 1.00 5.43 H new ATOM 0 HH22 ARG A 3 -10.609 -5.362 23.323 1.00 5.43 H new ATOM 35 N GLN A 4 -8.421 -0.226 16.186 1.00 14.41 N ATOM 36 CA GLN A 4 -7.655 0.252 15.041 1.00 30.51 C ATOM 37 C GLN A 4 -6.971 -0.907 14.323 1.00 22.12 C ATOM 38 O GLN A 4 -6.752 -1.970 14.905 1.00 12.43 O ATOM 39 CB GLN A 4 -6.612 1.276 15.490 1.00 1.30 C ATOM 40 CG GLN A 4 -6.873 2.680 14.967 1.00 33.42 C ATOM 41 CD GLN A 4 -5.773 3.654 15.337 1.00 42.54 C ATOM 42 OE1 GLN A 4 -4.719 3.259 15.835 1.00 65.21 O ATOM 43 NE2 GLN A 4 -6.012 4.938 15.094 1.00 71.24 N ATOM 0 H GLN A 4 -7.860 -0.437 17.011 1.00 14.41 H new ATOM 0 HA GLN A 4 -8.346 0.729 14.346 1.00 30.51 H new ATOM 0 HB2 GLN A 4 -6.586 1.302 16.579 1.00 1.30 H new ATOM 0 HB3 GLN A 4 -5.627 0.950 15.155 1.00 1.30 H new ATOM 0 HG2 GLN A 4 -6.974 2.647 13.882 1.00 33.42 H new ATOM 0 HG3 GLN A 4 -7.822 3.041 15.364 1.00 33.42 H new ATOM 0 HE21 GLN A 4 -6.900 5.222 14.680 1.00 71.24 H new ATOM 0 HE22 GLN A 4 -5.308 5.640 15.322 1.00 71.24 H new ATOM 52 N VAL A 5 -6.635 -0.695 13.055 1.00 61.24 N ATOM 53 CA VAL A 5 -5.975 -1.722 12.257 1.00 43.32 C ATOM 54 C VAL A 5 -4.633 -1.228 11.728 1.00 41.03 C ATOM 55 O VAL A 5 -4.401 -0.023 11.622 1.00 32.23 O ATOM 56 CB VAL A 5 -6.852 -2.161 11.070 1.00 52.34 C ATOM 57 CG1 VAL A 5 -8.208 -2.646 11.559 1.00 55.35 C ATOM 58 CG2 VAL A 5 -7.011 -1.021 10.075 1.00 13.30 C ATOM 0 H VAL A 5 -6.809 0.179 12.558 1.00 61.24 H new ATOM 0 HA VAL A 5 -5.812 -2.577 12.913 1.00 43.32 H new ATOM 0 HB VAL A 5 -6.358 -2.989 10.562 1.00 52.34 H new ATOM 0 HG11 VAL A 5 -8.814 -2.952 10.706 1.00 55.35 H new ATOM 0 HG12 VAL A 5 -8.071 -3.494 12.230 1.00 55.35 H new ATOM 0 HG13 VAL A 5 -8.712 -1.840 12.092 1.00 55.35 H new ATOM 0 HG21 VAL A 5 -7.634 -1.349 9.243 1.00 13.30 H new ATOM 0 HG22 VAL A 5 -7.482 -0.171 10.568 1.00 13.30 H new ATOM 0 HG23 VAL A 5 -6.031 -0.725 9.701 1.00 13.30 H new ATOM 68 N ILE A 6 -3.753 -2.166 11.396 1.00 64.33 N ATOM 69 CA ILE A 6 -2.434 -1.826 10.876 1.00 71.45 C ATOM 70 C ILE A 6 -2.468 -1.658 9.360 1.00 24.33 C ATOM 71 O ILE A 6 -3.263 -2.299 8.672 1.00 52.42 O ATOM 72 CB ILE A 6 -1.392 -2.900 11.239 1.00 64.33 C ATOM 73 CG1 ILE A 6 -1.404 -3.165 12.746 1.00 42.04 C ATOM 74 CG2 ILE A 6 -0.006 -2.469 10.782 1.00 21.03 C ATOM 75 CD1 ILE A 6 -2.394 -4.229 13.164 1.00 23.42 C ATOM 0 H ILE A 6 -3.929 -3.167 11.478 1.00 64.33 H new ATOM 0 HA ILE A 6 -2.146 -0.882 11.338 1.00 71.45 H new ATOM 0 HB ILE A 6 -1.651 -3.825 10.725 1.00 64.33 H new ATOM 0 HG12 ILE A 6 -0.405 -3.465 13.062 1.00 42.04 H new ATOM 0 HG13 ILE A 6 -1.638 -2.237 13.268 1.00 42.04 H new ATOM 0 HG21 ILE A 6 0.720 -3.238 11.046 1.00 21.03 H new ATOM 0 HG22 ILE A 6 -0.007 -2.326 9.701 1.00 21.03 H new ATOM 0 HG23 ILE A 6 0.264 -1.533 11.271 1.00 21.03 H new ATOM 0 HD11 ILE A 6 -2.348 -4.364 14.245 1.00 23.42 H new ATOM 0 HD12 ILE A 6 -3.400 -3.922 12.879 1.00 23.42 H new ATOM 0 HD13 ILE A 6 -2.148 -5.169 12.670 1.00 23.42 H new ATOM 87 N CYS A 7 -1.598 -0.795 8.847 1.00 13.12 N ATOM 88 CA CYS A 7 -1.527 -0.543 7.412 1.00 11.02 C ATOM 89 C CYS A 7 -0.776 -1.663 6.700 1.00 21.22 C ATOM 90 O CYS A 7 0.030 -2.367 7.308 1.00 21.52 O ATOM 91 CB CYS A 7 -0.843 0.798 7.142 1.00 12.12 C ATOM 92 SG CYS A 7 0.940 0.790 7.440 1.00 42.45 S ATOM 0 H CYS A 7 -0.932 -0.258 9.403 1.00 13.12 H new ATOM 0 HA CYS A 7 -2.545 -0.508 7.023 1.00 11.02 H new ATOM 0 HB2 CYS A 7 -1.026 1.085 6.107 1.00 12.12 H new ATOM 0 HB3 CYS A 7 -1.302 1.561 7.771 1.00 12.12 H new ATOM 0 HG CYS A 7 1.428 1.967 7.182 1.00 42.45 H new ATOM 98 N TRP A 8 -1.047 -1.823 5.410 1.00 41.20 N ATOM 99 CA TRP A 8 -0.398 -2.859 4.615 1.00 24.23 C ATOM 100 C TRP A 8 0.650 -2.256 3.686 1.00 71.42 C ATOM 101 O TRP A 8 0.320 -1.502 2.770 1.00 73.22 O ATOM 102 CB TRP A 8 -1.436 -3.632 3.800 1.00 13.35 C ATOM 103 CG TRP A 8 -2.383 -4.427 4.647 1.00 74.21 C ATOM 104 CD1 TRP A 8 -3.294 -3.938 5.539 1.00 55.52 C ATOM 105 CD2 TRP A 8 -2.511 -5.853 4.682 1.00 41.20 C ATOM 106 NE1 TRP A 8 -3.981 -4.973 6.126 1.00 24.02 N ATOM 107 CE2 TRP A 8 -3.519 -6.158 5.617 1.00 33.00 C ATOM 108 CE3 TRP A 8 -1.873 -6.901 4.013 1.00 11.11 C ATOM 109 CZ2 TRP A 8 -3.901 -7.467 5.899 1.00 52.13 C ATOM 110 CZ3 TRP A 8 -2.253 -8.199 4.294 1.00 31.51 C ATOM 111 CH2 TRP A 8 -3.260 -8.474 5.229 1.00 1.54 C ATOM 0 H TRP A 8 -1.712 -1.249 4.892 1.00 41.20 H new ATOM 0 HA TRP A 8 0.101 -3.546 5.298 1.00 24.23 H new ATOM 0 HB2 TRP A 8 -2.006 -2.930 3.191 1.00 13.35 H new ATOM 0 HB3 TRP A 8 -0.921 -4.304 3.114 1.00 13.35 H new ATOM 0 HD1 TRP A 8 -3.451 -2.891 5.752 1.00 55.52 H new ATOM 0 HE1 TRP A 8 -4.716 -4.875 6.827 1.00 24.02 H new ATOM 0 HE3 TRP A 8 -1.097 -6.700 3.289 1.00 11.11 H new ATOM 0 HZ2 TRP A 8 -4.676 -7.680 6.621 1.00 52.13 H new ATOM 0 HZ3 TRP A 8 -1.765 -9.017 3.784 1.00 31.51 H new ATOM 0 HH2 TRP A 8 -3.536 -9.500 5.425 1.00 1.54 H new ATOM 122 N CYS A 9 1.912 -2.593 3.927 1.00 41.13 N ATOM 123 CA CYS A 9 3.008 -2.083 3.110 1.00 24.55 C ATOM 124 C CYS A 9 3.385 -3.082 2.021 1.00 32.30 C ATOM 125 O CYS A 9 3.814 -4.199 2.310 1.00 64.42 O ATOM 126 CB CYS A 9 4.226 -1.782 3.986 1.00 52.14 C ATOM 127 SG CYS A 9 4.762 -3.173 5.009 1.00 11.31 S ATOM 0 H CYS A 9 2.202 -3.216 4.681 1.00 41.13 H new ATOM 0 HA CYS A 9 2.675 -1.161 2.633 1.00 24.55 H new ATOM 0 HB2 CYS A 9 5.053 -1.476 3.346 1.00 52.14 H new ATOM 0 HB3 CYS A 9 3.994 -0.937 4.634 1.00 52.14 H new ATOM 0 HG CYS A 9 3.869 -4.117 4.961 1.00 11.31 H new ATOM 133 N PHE A 10 3.219 -2.673 0.768 1.00 62.14 N ATOM 134 CA PHE A 10 3.539 -3.533 -0.366 1.00 11.01 C ATOM 135 C PHE A 10 4.311 -2.762 -1.433 1.00 33.02 C ATOM 136 O PHE A 10 4.350 -1.531 -1.420 1.00 72.14 O ATOM 137 CB PHE A 10 2.259 -4.116 -0.968 1.00 32.11 C ATOM 138 CG PHE A 10 1.609 -3.217 -1.980 1.00 53.12 C ATOM 139 CD1 PHE A 10 0.987 -2.043 -1.586 1.00 4.13 C ATOM 140 CD2 PHE A 10 1.619 -3.545 -3.326 1.00 63.22 C ATOM 141 CE1 PHE A 10 0.388 -1.214 -2.515 1.00 72.21 C ATOM 142 CE2 PHE A 10 1.022 -2.720 -4.260 1.00 73.14 C ATOM 143 CZ PHE A 10 0.406 -1.553 -3.854 1.00 40.52 C ATOM 0 H PHE A 10 2.865 -1.751 0.512 1.00 62.14 H new ATOM 0 HA PHE A 10 4.167 -4.348 -0.006 1.00 11.01 H new ATOM 0 HB2 PHE A 10 2.491 -5.072 -1.438 1.00 32.11 H new ATOM 0 HB3 PHE A 10 1.550 -4.319 -0.166 1.00 32.11 H new ATOM 0 HD1 PHE A 10 0.970 -1.773 -0.540 1.00 4.13 H new ATOM 0 HD2 PHE A 10 2.099 -4.457 -3.649 1.00 63.22 H new ATOM 0 HE1 PHE A 10 -0.094 -0.302 -2.195 1.00 72.21 H new ATOM 0 HE2 PHE A 10 1.037 -2.988 -5.306 1.00 73.14 H new ATOM 0 HZ PHE A 10 -0.061 -0.906 -4.582 1.00 40.52 H new ATOM 153 N THR A 11 4.925 -3.495 -2.356 1.00 61.12 N ATOM 154 CA THR A 11 5.698 -2.882 -3.429 1.00 75.23 C ATOM 155 C THR A 11 5.296 -3.446 -4.787 1.00 73.23 C ATOM 156 O THR A 11 5.300 -4.661 -4.993 1.00 14.25 O ATOM 157 CB THR A 11 7.209 -3.094 -3.225 1.00 65.31 C ATOM 158 OG1 THR A 11 7.559 -2.845 -1.859 1.00 30.30 O ATOM 159 CG2 THR A 11 8.012 -2.177 -4.135 1.00 4.54 C ATOM 0 H THR A 11 4.902 -4.514 -2.382 1.00 61.12 H new ATOM 0 HA THR A 11 5.482 -1.814 -3.403 1.00 75.23 H new ATOM 0 HB THR A 11 7.446 -4.128 -3.477 1.00 65.31 H new ATOM 0 HG1 THR A 11 8.521 -2.984 -1.737 1.00 30.30 H new ATOM 0 HG21 THR A 11 9.077 -2.345 -3.973 1.00 4.54 H new ATOM 0 HG22 THR A 11 7.765 -2.390 -5.175 1.00 4.54 H new ATOM 0 HG23 THR A 11 7.770 -1.138 -3.910 1.00 4.54 H new ATOM 167 N LEU A 12 4.950 -2.558 -5.713 1.00 11.04 N ATOM 168 CA LEU A 12 4.546 -2.968 -7.053 1.00 50.52 C ATOM 169 C LEU A 12 5.582 -2.540 -8.088 1.00 74.13 C ATOM 170 O LEU A 12 5.841 -1.351 -8.266 1.00 43.12 O ATOM 171 CB LEU A 12 3.182 -2.368 -7.402 1.00 24.42 C ATOM 172 CG LEU A 12 2.590 -2.786 -8.748 1.00 71.30 C ATOM 173 CD1 LEU A 12 2.687 -4.293 -8.929 1.00 72.21 C ATOM 174 CD2 LEU A 12 1.144 -2.326 -8.860 1.00 51.35 C ATOM 0 H LEU A 12 4.941 -1.550 -5.560 1.00 11.04 H new ATOM 0 HA LEU A 12 4.472 -4.055 -7.067 1.00 50.52 H new ATOM 0 HB2 LEU A 12 2.476 -2.640 -6.617 1.00 24.42 H new ATOM 0 HB3 LEU A 12 3.271 -1.282 -7.388 1.00 24.42 H new ATOM 0 HG LEU A 12 3.165 -2.308 -9.541 1.00 71.30 H new ATOM 0 HD11 LEU A 12 2.261 -4.572 -9.893 1.00 72.21 H new ATOM 0 HD12 LEU A 12 3.733 -4.597 -8.893 1.00 72.21 H new ATOM 0 HD13 LEU A 12 2.137 -4.791 -8.131 1.00 72.21 H new ATOM 0 HD21 LEU A 12 0.738 -2.632 -9.824 1.00 51.35 H new ATOM 0 HD22 LEU A 12 0.556 -2.776 -8.060 1.00 51.35 H new ATOM 0 HD23 LEU A 12 1.100 -1.240 -8.776 1.00 51.35 H new ATOM 186 N ASN A 13 6.168 -3.519 -8.770 1.00 2.30 N ATOM 187 CA ASN A 13 7.174 -3.244 -9.789 1.00 44.42 C ATOM 188 C ASN A 13 6.596 -3.428 -11.189 1.00 33.13 C ATOM 189 O ASN A 13 5.853 -4.375 -11.444 1.00 51.22 O ATOM 190 CB ASN A 13 8.385 -4.160 -9.601 1.00 1.01 C ATOM 191 CG ASN A 13 8.980 -4.053 -8.210 1.00 64.02 C ATOM 192 OD1 ASN A 13 8.761 -4.917 -7.361 1.00 11.22 O ATOM 193 ND2 ASN A 13 9.738 -2.989 -7.971 1.00 63.15 N ATOM 0 H ASN A 13 5.963 -4.509 -8.635 1.00 2.30 H new ATOM 0 HA ASN A 13 7.491 -2.207 -9.680 1.00 44.42 H new ATOM 0 HB2 ASN A 13 8.089 -5.192 -9.788 1.00 1.01 H new ATOM 0 HB3 ASN A 13 9.146 -3.908 -10.339 1.00 1.01 H new ATOM 0 HD21 ASN A 13 10.166 -2.863 -7.054 1.00 63.15 H new ATOM 0 HD22 ASN A 13 9.893 -2.298 -8.705 1.00 63.15 H new ATOM 200 N ASN A 14 6.942 -2.516 -12.092 1.00 25.45 N ATOM 201 CA ASN A 14 6.458 -2.578 -13.466 1.00 33.44 C ATOM 202 C ASN A 14 4.948 -2.794 -13.500 1.00 72.35 C ATOM 203 O ASN A 14 4.449 -3.778 -14.048 1.00 12.22 O ATOM 204 CB ASN A 14 7.163 -3.703 -14.227 1.00 13.21 C ATOM 205 CG ASN A 14 8.622 -3.840 -13.836 1.00 55.50 C ATOM 206 OD1 ASN A 14 8.941 -4.275 -12.730 1.00 1.44 O ATOM 207 ND2 ASN A 14 9.515 -3.467 -14.745 1.00 71.02 N ATOM 0 H ASN A 14 7.556 -1.725 -11.897 1.00 25.45 H new ATOM 0 HA ASN A 14 6.683 -1.627 -13.948 1.00 33.44 H new ATOM 0 HB2 ASN A 14 6.649 -4.645 -14.036 1.00 13.21 H new ATOM 0 HB3 ASN A 14 7.093 -3.513 -15.298 1.00 13.21 H new ATOM 0 HD21 ASN A 14 10.512 -3.536 -14.539 1.00 71.02 H new ATOM 0 HD22 ASN A 14 9.204 -3.112 -15.649 1.00 71.02 H new ATOM 214 N PRO A 15 4.202 -1.853 -12.903 1.00 35.50 N ATOM 215 CA PRO A 15 2.738 -1.918 -12.853 1.00 11.41 C ATOM 216 C PRO A 15 2.101 -1.694 -14.220 1.00 52.21 C ATOM 217 O PRO A 15 2.564 -0.864 -15.004 1.00 32.10 O ATOM 218 CB PRO A 15 2.366 -0.781 -11.897 1.00 74.41 C ATOM 219 CG PRO A 15 3.501 0.179 -11.990 1.00 32.24 C ATOM 220 CD PRO A 15 4.729 -0.654 -12.231 1.00 22.33 C ATOM 0 HA PRO A 15 2.384 -2.897 -12.532 1.00 11.41 H new ATOM 0 HB2 PRO A 15 1.426 -0.312 -12.187 1.00 74.41 H new ATOM 0 HB3 PRO A 15 2.239 -1.146 -10.878 1.00 74.41 H new ATOM 0 HG2 PRO A 15 3.346 0.889 -12.802 1.00 32.24 H new ATOM 0 HG3 PRO A 15 3.597 0.760 -11.073 1.00 32.24 H new ATOM 0 HD2 PRO A 15 5.454 -0.130 -12.854 1.00 22.33 H new ATOM 0 HD3 PRO A 15 5.233 -0.905 -11.298 1.00 22.33 H new ATOM 228 N LEU A 16 1.037 -2.438 -14.500 1.00 54.25 N ATOM 229 CA LEU A 16 0.335 -2.320 -15.774 1.00 72.10 C ATOM 230 C LEU A 16 -0.683 -1.185 -15.732 1.00 12.11 C ATOM 231 O LEU A 16 -1.298 -0.851 -16.745 1.00 23.01 O ATOM 232 CB LEU A 16 -0.366 -3.636 -16.116 1.00 62.22 C ATOM 233 CG LEU A 16 0.532 -4.758 -16.640 1.00 53.24 C ATOM 234 CD1 LEU A 16 1.016 -5.633 -15.495 1.00 73.51 C ATOM 235 CD2 LEU A 16 -0.207 -5.592 -17.677 1.00 13.14 C ATOM 0 H LEU A 16 0.641 -3.129 -13.863 1.00 54.25 H new ATOM 0 HA LEU A 16 1.071 -2.095 -16.546 1.00 72.10 H new ATOM 0 HB2 LEU A 16 -0.878 -3.995 -15.223 1.00 62.22 H new ATOM 0 HB3 LEU A 16 -1.133 -3.433 -16.863 1.00 62.22 H new ATOM 0 HG LEU A 16 1.402 -4.308 -17.118 1.00 53.24 H new ATOM 0 HD11 LEU A 16 1.653 -6.426 -15.887 1.00 73.51 H new ATOM 0 HD12 LEU A 16 1.583 -5.027 -14.789 1.00 73.51 H new ATOM 0 HD13 LEU A 16 0.159 -6.075 -14.987 1.00 73.51 H new ATOM 0 HD21 LEU A 16 0.447 -6.385 -18.039 1.00 13.14 H new ATOM 0 HD22 LEU A 16 -1.095 -6.032 -17.224 1.00 13.14 H new ATOM 0 HD23 LEU A 16 -0.502 -4.956 -18.512 1.00 13.14 H new ATOM 247 N SER A 17 -0.855 -0.594 -14.554 1.00 23.13 N ATOM 248 CA SER A 17 -1.799 0.503 -14.379 1.00 52.00 C ATOM 249 C SER A 17 -1.805 0.990 -12.933 1.00 60.11 C ATOM 250 O SER A 17 -1.377 0.291 -12.014 1.00 41.22 O ATOM 251 CB SER A 17 -3.206 0.062 -14.786 1.00 55.23 C ATOM 252 OG SER A 17 -4.015 -0.179 -13.648 1.00 22.13 O ATOM 0 H SER A 17 -0.352 -0.857 -13.706 1.00 23.13 H new ATOM 0 HA SER A 17 -1.484 1.326 -15.020 1.00 52.00 H new ATOM 0 HB2 SER A 17 -3.666 0.831 -15.407 1.00 55.23 H new ATOM 0 HB3 SER A 17 -3.146 -0.842 -15.391 1.00 55.23 H new ATOM 0 HG SER A 17 -4.909 -0.458 -13.936 1.00 22.13 H new ATOM 258 N PRO A 18 -2.302 2.218 -12.725 1.00 41.33 N ATOM 259 CA PRO A 18 -2.377 2.827 -11.394 1.00 3.11 C ATOM 260 C PRO A 18 -3.414 2.150 -10.504 1.00 50.54 C ATOM 261 O PRO A 18 -4.409 1.612 -10.992 1.00 63.13 O ATOM 262 CB PRO A 18 -2.785 4.273 -11.687 1.00 74.25 C ATOM 263 CG PRO A 18 -3.496 4.207 -12.995 1.00 41.52 C ATOM 264 CD PRO A 18 -2.830 3.107 -13.774 1.00 44.20 C ATOM 0 HA PRO A 18 -1.436 2.737 -10.852 1.00 3.11 H new ATOM 0 HB2 PRO A 18 -3.432 4.668 -10.904 1.00 74.25 H new ATOM 0 HB3 PRO A 18 -1.915 4.927 -11.742 1.00 74.25 H new ATOM 0 HG2 PRO A 18 -4.556 3.997 -12.853 1.00 41.52 H new ATOM 0 HG3 PRO A 18 -3.427 5.157 -13.525 1.00 41.52 H new ATOM 0 HD2 PRO A 18 -3.537 2.589 -14.422 1.00 44.20 H new ATOM 0 HD3 PRO A 18 -2.035 3.491 -14.413 1.00 44.20 H new ATOM 272 N LEU A 19 -3.177 2.182 -9.198 1.00 23.42 N ATOM 273 CA LEU A 19 -4.091 1.571 -8.239 1.00 54.32 C ATOM 274 C LEU A 19 -5.344 2.424 -8.062 1.00 45.23 C ATOM 275 O LEU A 19 -5.402 3.563 -8.527 1.00 71.51 O ATOM 276 CB LEU A 19 -3.395 1.381 -6.890 1.00 75.24 C ATOM 277 CG LEU A 19 -1.997 0.764 -6.938 1.00 33.42 C ATOM 278 CD1 LEU A 19 -1.206 1.137 -5.694 1.00 14.42 C ATOM 279 CD2 LEU A 19 -2.086 -0.749 -7.081 1.00 15.21 C ATOM 0 H LEU A 19 -2.360 2.625 -8.778 1.00 23.42 H new ATOM 0 HA LEU A 19 -4.388 0.597 -8.628 1.00 54.32 H new ATOM 0 HB2 LEU A 19 -3.325 2.352 -6.400 1.00 75.24 H new ATOM 0 HB3 LEU A 19 -4.027 0.752 -6.263 1.00 75.24 H new ATOM 0 HG LEU A 19 -1.475 1.162 -7.809 1.00 33.42 H new ATOM 0 HD11 LEU A 19 -0.214 0.689 -5.746 1.00 14.42 H new ATOM 0 HD12 LEU A 19 -1.112 2.221 -5.634 1.00 14.42 H new ATOM 0 HD13 LEU A 19 -1.725 0.769 -4.809 1.00 14.42 H new ATOM 0 HD21 LEU A 19 -1.082 -1.171 -7.114 1.00 15.21 H new ATOM 0 HD22 LEU A 19 -2.627 -1.164 -6.230 1.00 15.21 H new ATOM 0 HD23 LEU A 19 -2.614 -0.997 -8.002 1.00 15.21 H new ATOM 291 N SER A 20 -6.342 1.867 -7.386 1.00 34.45 N ATOM 292 CA SER A 20 -7.594 2.575 -7.148 1.00 55.42 C ATOM 293 C SER A 20 -8.222 2.142 -5.827 1.00 31.01 C ATOM 294 O SER A 20 -7.989 1.030 -5.350 1.00 40.33 O ATOM 295 CB SER A 20 -8.573 2.324 -8.297 1.00 41.42 C ATOM 296 OG SER A 20 -8.968 0.964 -8.343 1.00 12.35 O ATOM 0 H SER A 20 -6.308 0.926 -6.993 1.00 34.45 H new ATOM 0 HA SER A 20 -7.374 3.641 -7.093 1.00 55.42 H new ATOM 0 HB2 SER A 20 -9.452 2.957 -8.175 1.00 41.42 H new ATOM 0 HB3 SER A 20 -8.108 2.603 -9.243 1.00 41.42 H new ATOM 0 HG SER A 20 -9.595 0.830 -9.085 1.00 12.35 H new ATOM 302 N LEU A 21 -9.020 3.027 -5.240 1.00 5.34 N ATOM 303 CA LEU A 21 -9.682 2.738 -3.973 1.00 32.04 C ATOM 304 C LEU A 21 -10.432 1.411 -4.041 1.00 5.14 C ATOM 305 O LEU A 21 -10.940 1.027 -5.094 1.00 73.41 O ATOM 306 CB LEU A 21 -10.651 3.866 -3.612 1.00 23.32 C ATOM 307 CG LEU A 21 -11.594 3.591 -2.440 1.00 4.43 C ATOM 308 CD1 LEU A 21 -10.823 3.567 -1.129 1.00 22.40 C ATOM 309 CD2 LEU A 21 -12.700 4.635 -2.390 1.00 73.21 C ATOM 0 H LEU A 21 -9.224 3.951 -5.621 1.00 5.34 H new ATOM 0 HA LEU A 21 -8.917 2.663 -3.200 1.00 32.04 H new ATOM 0 HB2 LEU A 21 -10.069 4.758 -3.382 1.00 23.32 H new ATOM 0 HB3 LEU A 21 -11.253 4.096 -4.491 1.00 23.32 H new ATOM 0 HG LEU A 21 -12.051 2.612 -2.588 1.00 4.43 H new ATOM 0 HD11 LEU A 21 -11.510 3.370 -0.306 1.00 22.40 H new ATOM 0 HD12 LEU A 21 -10.067 2.783 -1.166 1.00 22.40 H new ATOM 0 HD13 LEU A 21 -10.339 4.531 -0.974 1.00 22.40 H new ATOM 0 HD21 LEU A 21 -13.362 4.424 -1.550 1.00 73.21 H new ATOM 0 HD22 LEU A 21 -12.261 5.625 -2.266 1.00 73.21 H new ATOM 0 HD23 LEU A 21 -13.271 4.605 -3.318 1.00 73.21 H new ATOM 321 N HIS A 22 -10.498 0.716 -2.909 1.00 64.05 N ATOM 322 CA HIS A 22 -11.188 -0.567 -2.840 1.00 24.21 C ATOM 323 C HIS A 22 -12.421 -0.473 -1.947 1.00 12.10 C ATOM 324 O HIS A 22 -12.369 0.098 -0.858 1.00 2.43 O ATOM 325 CB HIS A 22 -10.244 -1.650 -2.314 1.00 14.51 C ATOM 326 CG HIS A 22 -10.696 -3.042 -2.630 1.00 25.31 C ATOM 327 ND1 HIS A 22 -10.677 -4.067 -1.707 1.00 41.03 N ATOM 328 CD2 HIS A 22 -11.181 -3.577 -3.774 1.00 72.34 C ATOM 329 CE1 HIS A 22 -11.130 -5.172 -2.271 1.00 61.42 C ATOM 330 NE2 HIS A 22 -11.443 -4.902 -3.526 1.00 32.15 N ATOM 0 H HIS A 22 -10.082 1.020 -2.028 1.00 64.05 H new ATOM 0 HA HIS A 22 -11.510 -0.834 -3.847 1.00 24.21 H new ATOM 0 HB2 HIS A 22 -9.252 -1.494 -2.738 1.00 14.51 H new ATOM 0 HB3 HIS A 22 -10.149 -1.544 -1.233 1.00 14.51 H new ATOM 0 HD2 HIS A 22 -11.334 -3.058 -4.709 1.00 72.34 H new ATOM 0 HE1 HIS A 22 -11.228 -6.133 -1.788 1.00 61.42 H new ATOM 0 HE2 HIS A 22 -11.818 -5.569 -4.201 1.00 32.15 H new ATOM 338 N ASP A 23 -13.529 -1.036 -2.416 1.00 12.01 N ATOM 339 CA ASP A 23 -14.776 -1.016 -1.660 1.00 11.31 C ATOM 340 C ASP A 23 -14.603 -1.702 -0.308 1.00 53.53 C ATOM 341 O ASP A 23 -15.346 -1.432 0.635 1.00 12.34 O ATOM 342 CB ASP A 23 -15.890 -1.700 -2.454 1.00 50.31 C ATOM 343 CG ASP A 23 -16.683 -0.722 -3.299 1.00 12.14 C ATOM 344 OD1 ASP A 23 -17.145 0.299 -2.747 1.00 74.53 O ATOM 345 OD2 ASP A 23 -16.843 -0.978 -4.511 1.00 4.32 O ATOM 0 H ASP A 23 -13.589 -1.512 -3.316 1.00 12.01 H new ATOM 0 HA ASP A 23 -15.050 0.025 -1.487 1.00 11.31 H new ATOM 0 HB2 ASP A 23 -15.456 -2.464 -3.099 1.00 50.31 H new ATOM 0 HB3 ASP A 23 -16.563 -2.209 -1.765 1.00 50.31 H new ATOM 350 N SER A 24 -13.619 -2.590 -0.223 1.00 23.40 N ATOM 351 CA SER A 24 -13.351 -3.319 1.012 1.00 52.23 C ATOM 352 C SER A 24 -12.479 -2.492 1.952 1.00 72.30 C ATOM 353 O SER A 24 -12.719 -2.446 3.158 1.00 13.30 O ATOM 354 CB SER A 24 -12.668 -4.652 0.704 1.00 24.41 C ATOM 355 OG SER A 24 -13.242 -5.706 1.458 1.00 51.11 O ATOM 0 H SER A 24 -12.993 -2.823 -0.994 1.00 23.40 H new ATOM 0 HA SER A 24 -14.304 -3.513 1.505 1.00 52.23 H new ATOM 0 HB2 SER A 24 -12.756 -4.872 -0.360 1.00 24.41 H new ATOM 0 HB3 SER A 24 -11.604 -4.579 0.927 1.00 24.41 H new ATOM 0 HG SER A 24 -12.789 -6.548 1.242 1.00 51.11 H new ATOM 361 N MET A 25 -11.466 -1.842 1.390 1.00 2.40 N ATOM 362 CA MET A 25 -10.558 -1.016 2.177 1.00 1.44 C ATOM 363 C MET A 25 -11.247 0.266 2.634 1.00 11.32 C ATOM 364 O MET A 25 -12.441 0.458 2.402 1.00 42.41 O ATOM 365 CB MET A 25 -9.309 -0.674 1.363 1.00 65.40 C ATOM 366 CG MET A 25 -9.506 0.491 0.407 1.00 61.43 C ATOM 367 SD MET A 25 -7.960 1.052 -0.332 1.00 51.23 S ATOM 368 CE MET A 25 -7.493 -0.394 -1.280 1.00 41.02 C ATOM 0 H MET A 25 -11.253 -1.871 0.393 1.00 2.40 H new ATOM 0 HA MET A 25 -10.263 -1.584 3.059 1.00 1.44 H new ATOM 0 HB2 MET A 25 -8.493 -0.438 2.047 1.00 65.40 H new ATOM 0 HB3 MET A 25 -9.004 -1.552 0.794 1.00 65.40 H new ATOM 0 HG2 MET A 25 -10.196 0.195 -0.383 1.00 61.43 H new ATOM 0 HG3 MET A 25 -9.971 1.320 0.941 1.00 61.43 H new ATOM 0 HE1 MET A 25 -6.407 -0.449 -1.348 1.00 41.02 H new ATOM 0 HE2 MET A 25 -7.871 -1.290 -0.787 1.00 41.02 H new ATOM 0 HE3 MET A 25 -7.917 -0.325 -2.282 1.00 41.02 H new ATOM 378 N LYS A 26 -10.488 1.141 3.285 1.00 11.14 N ATOM 379 CA LYS A 26 -11.025 2.406 3.774 1.00 23.55 C ATOM 380 C LYS A 26 -10.183 3.580 3.285 1.00 61.52 C ATOM 381 O LYS A 26 -10.714 4.634 2.935 1.00 34.32 O ATOM 382 CB LYS A 26 -11.076 2.404 5.304 1.00 71.10 C ATOM 383 CG LYS A 26 -12.480 2.551 5.866 1.00 63.15 C ATOM 384 CD LYS A 26 -12.456 3.010 7.314 1.00 65.41 C ATOM 385 CE LYS A 26 -13.275 2.088 8.204 1.00 20.02 C ATOM 386 NZ LYS A 26 -14.729 2.400 8.136 1.00 15.23 N ATOM 0 H LYS A 26 -9.498 0.997 3.486 1.00 11.14 H new ATOM 0 HA LYS A 26 -12.036 2.519 3.382 1.00 23.55 H new ATOM 0 HB2 LYS A 26 -10.642 1.475 5.672 1.00 71.10 H new ATOM 0 HB3 LYS A 26 -10.456 3.217 5.681 1.00 71.10 H new ATOM 0 HG2 LYS A 26 -13.040 3.268 5.265 1.00 63.15 H new ATOM 0 HG3 LYS A 26 -13.003 1.597 5.794 1.00 63.15 H new ATOM 0 HD2 LYS A 26 -11.426 3.041 7.670 1.00 65.41 H new ATOM 0 HD3 LYS A 26 -12.847 4.025 7.382 1.00 65.41 H new ATOM 0 HE2 LYS A 26 -13.111 1.053 7.903 1.00 20.02 H new ATOM 0 HE3 LYS A 26 -12.932 2.179 9.235 1.00 20.02 H new ATOM 0 HZ1 LYS A 26 -15.253 1.750 8.756 1.00 15.23 H new ATOM 0 HZ2 LYS A 26 -14.889 3.379 8.447 1.00 15.23 H new ATOM 0 HZ3 LYS A 26 -15.063 2.289 7.157 1.00 15.23 H new ATOM 400 N TYR A 27 -8.868 3.390 3.261 1.00 75.30 N ATOM 401 CA TYR A 27 -7.953 4.433 2.815 1.00 55.54 C ATOM 402 C TYR A 27 -6.911 3.870 1.854 1.00 70.22 C ATOM 403 O TYR A 27 -6.450 2.739 2.013 1.00 63.21 O ATOM 404 CB TYR A 27 -7.260 5.080 4.015 1.00 51.53 C ATOM 405 CG TYR A 27 -6.785 6.491 3.751 1.00 2.42 C ATOM 406 CD1 TYR A 27 -7.681 7.492 3.396 1.00 0.33 C ATOM 407 CD2 TYR A 27 -5.440 6.824 3.856 1.00 22.40 C ATOM 408 CE1 TYR A 27 -7.251 8.783 3.154 1.00 73.32 C ATOM 409 CE2 TYR A 27 -5.001 8.112 3.617 1.00 74.41 C ATOM 410 CZ TYR A 27 -5.911 9.087 3.266 1.00 42.41 C ATOM 411 OH TYR A 27 -5.478 10.371 3.025 1.00 2.35 O ATOM 0 H TYR A 27 -8.412 2.523 3.545 1.00 75.30 H new ATOM 0 HA TYR A 27 -8.534 5.190 2.288 1.00 55.54 H new ATOM 0 HB2 TYR A 27 -7.948 5.089 4.860 1.00 51.53 H new ATOM 0 HB3 TYR A 27 -6.407 4.467 4.306 1.00 51.53 H new ATOM 0 HD1 TYR A 27 -8.731 7.257 3.308 1.00 0.33 H new ATOM 0 HD2 TYR A 27 -4.725 6.062 4.129 1.00 22.40 H new ATOM 0 HE1 TYR A 27 -7.961 9.549 2.879 1.00 73.32 H new ATOM 0 HE2 TYR A 27 -3.952 8.354 3.704 1.00 74.41 H new ATOM 0 HH TYR A 27 -4.684 10.556 3.569 1.00 2.35 H new ATOM 421 N LEU A 28 -6.544 4.666 0.856 1.00 4.54 N ATOM 422 CA LEU A 28 -5.555 4.249 -0.132 1.00 3.24 C ATOM 423 C LEU A 28 -4.403 5.246 -0.204 1.00 4.24 C ATOM 424 O LEU A 28 -4.615 6.444 -0.393 1.00 71.12 O ATOM 425 CB LEU A 28 -6.208 4.107 -1.507 1.00 40.15 C ATOM 426 CG LEU A 28 -5.309 3.579 -2.626 1.00 32.51 C ATOM 427 CD1 LEU A 28 -4.631 2.286 -2.200 1.00 23.04 C ATOM 428 CD2 LEU A 28 -6.113 3.366 -3.900 1.00 61.15 C ATOM 0 H LEU A 28 -6.916 5.604 0.709 1.00 4.54 H new ATOM 0 HA LEU A 28 -5.156 3.283 0.175 1.00 3.24 H new ATOM 0 HB2 LEU A 28 -7.066 3.441 -1.413 1.00 40.15 H new ATOM 0 HB3 LEU A 28 -6.593 5.082 -1.807 1.00 40.15 H new ATOM 0 HG LEU A 28 -4.537 4.322 -2.827 1.00 32.51 H new ATOM 0 HD11 LEU A 28 -3.995 1.925 -3.009 1.00 23.04 H new ATOM 0 HD12 LEU A 28 -4.023 2.469 -1.314 1.00 23.04 H new ATOM 0 HD13 LEU A 28 -5.388 1.536 -1.971 1.00 23.04 H new ATOM 0 HD21 LEU A 28 -5.457 2.990 -4.685 1.00 61.15 H new ATOM 0 HD22 LEU A 28 -6.907 2.643 -3.713 1.00 61.15 H new ATOM 0 HD23 LEU A 28 -6.552 4.312 -4.216 1.00 61.15 H new ATOM 440 N VAL A 29 -3.181 4.743 -0.053 1.00 53.41 N ATOM 441 CA VAL A 29 -1.995 5.589 -0.104 1.00 43.14 C ATOM 442 C VAL A 29 -0.865 4.906 -0.867 1.00 33.40 C ATOM 443 O VAL A 29 -0.442 3.804 -0.515 1.00 12.20 O ATOM 444 CB VAL A 29 -1.501 5.949 1.309 1.00 5.12 C ATOM 445 CG1 VAL A 29 -0.239 6.795 1.235 1.00 44.14 C ATOM 446 CG2 VAL A 29 -2.591 6.671 2.087 1.00 61.14 C ATOM 0 H VAL A 29 -2.987 3.754 0.106 1.00 53.41 H new ATOM 0 HA VAL A 29 -2.281 6.503 -0.625 1.00 43.14 H new ATOM 0 HB VAL A 29 -1.260 5.026 1.836 1.00 5.12 H new ATOM 0 HG11 VAL A 29 0.095 7.039 2.243 1.00 44.14 H new ATOM 0 HG12 VAL A 29 0.543 6.238 0.719 1.00 44.14 H new ATOM 0 HG13 VAL A 29 -0.449 7.715 0.689 1.00 44.14 H new ATOM 0 HG21 VAL A 29 -2.224 6.918 3.083 1.00 61.14 H new ATOM 0 HG22 VAL A 29 -2.865 7.587 1.564 1.00 61.14 H new ATOM 0 HG23 VAL A 29 -3.466 6.026 2.172 1.00 61.14 H new ATOM 456 N TYR A 30 -0.381 5.566 -1.913 1.00 22.13 N ATOM 457 CA TYR A 30 0.699 5.021 -2.727 1.00 41.31 C ATOM 458 C TYR A 30 1.517 6.140 -3.366 1.00 20.32 C ATOM 459 O TYR A 30 1.031 7.257 -3.537 1.00 44.34 O ATOM 460 CB TYR A 30 0.134 4.103 -3.813 1.00 4.54 C ATOM 461 CG TYR A 30 -0.327 4.841 -5.049 1.00 64.15 C ATOM 462 CD1 TYR A 30 -1.586 5.425 -5.105 1.00 70.23 C ATOM 463 CD2 TYR A 30 0.498 4.954 -6.162 1.00 40.41 C ATOM 464 CE1 TYR A 30 -2.011 6.099 -6.234 1.00 35.33 C ATOM 465 CE2 TYR A 30 0.081 5.628 -7.294 1.00 65.32 C ATOM 466 CZ TYR A 30 -1.174 6.198 -7.325 1.00 72.43 C ATOM 467 OH TYR A 30 -1.594 6.869 -8.451 1.00 2.44 O ATOM 0 H TYR A 30 -0.719 6.479 -2.217 1.00 22.13 H new ATOM 0 HA TYR A 30 1.354 4.442 -2.076 1.00 41.31 H new ATOM 0 HB2 TYR A 30 0.896 3.377 -4.096 1.00 4.54 H new ATOM 0 HB3 TYR A 30 -0.704 3.541 -3.402 1.00 4.54 H new ATOM 0 HD1 TYR A 30 -2.244 5.351 -4.252 1.00 70.23 H new ATOM 0 HD2 TYR A 30 1.481 4.508 -6.142 1.00 40.41 H new ATOM 0 HE1 TYR A 30 -2.994 6.546 -6.262 1.00 35.33 H new ATOM 0 HE2 TYR A 30 0.735 5.708 -8.150 1.00 65.32 H new ATOM 0 HH TYR A 30 -0.886 6.848 -9.128 1.00 2.44 H new ATOM 477 N GLN A 31 2.761 5.828 -3.716 1.00 11.43 N ATOM 478 CA GLN A 31 3.647 6.807 -4.335 1.00 60.55 C ATOM 479 C GLN A 31 4.489 6.161 -5.431 1.00 51.02 C ATOM 480 O GLN A 31 4.755 4.959 -5.398 1.00 44.11 O ATOM 481 CB GLN A 31 4.558 7.440 -3.283 1.00 11.15 C ATOM 482 CG GLN A 31 6.030 7.426 -3.663 1.00 75.22 C ATOM 483 CD GLN A 31 6.907 8.097 -2.626 1.00 3.54 C ATOM 484 OE1 GLN A 31 6.421 8.580 -1.603 1.00 13.05 O ATOM 485 NE2 GLN A 31 8.209 8.132 -2.884 1.00 43.01 N ATOM 0 H GLN A 31 3.177 4.907 -3.582 1.00 11.43 H new ATOM 0 HA GLN A 31 3.030 7.585 -4.785 1.00 60.55 H new ATOM 0 HB2 GLN A 31 4.245 8.471 -3.116 1.00 11.15 H new ATOM 0 HB3 GLN A 31 4.430 6.911 -2.339 1.00 11.15 H new ATOM 0 HG2 GLN A 31 6.357 6.395 -3.797 1.00 75.22 H new ATOM 0 HG3 GLN A 31 6.158 7.928 -4.622 1.00 75.22 H new ATOM 0 HE21 GLN A 31 8.570 7.719 -3.744 1.00 43.01 H new ATOM 0 HE22 GLN A 31 8.848 8.571 -2.222 1.00 43.01 H new ATOM 494 N THR A 32 4.906 6.967 -6.403 1.00 14.01 N ATOM 495 CA THR A 32 5.716 6.474 -7.510 1.00 11.54 C ATOM 496 C THR A 32 7.202 6.676 -7.235 1.00 72.04 C ATOM 497 O THR A 32 7.645 7.790 -6.957 1.00 71.41 O ATOM 498 CB THR A 32 5.349 7.177 -8.830 1.00 43.15 C ATOM 499 OG1 THR A 32 3.977 6.928 -9.153 1.00 54.13 O ATOM 500 CG2 THR A 32 6.238 6.693 -9.966 1.00 24.11 C ATOM 0 H THR A 32 4.696 7.964 -6.446 1.00 14.01 H new ATOM 0 HA THR A 32 5.508 5.408 -7.605 1.00 11.54 H new ATOM 0 HB THR A 32 5.503 8.248 -8.700 1.00 43.15 H new ATOM 0 HG1 THR A 32 3.859 5.979 -9.368 1.00 54.13 H new ATOM 0 HG21 THR A 32 5.960 7.203 -10.888 1.00 24.11 H new ATOM 0 HG22 THR A 32 7.280 6.910 -9.731 1.00 24.11 H new ATOM 0 HG23 THR A 32 6.112 5.618 -10.094 1.00 24.11 H new ATOM 508 N GLU A 33 7.966 5.591 -7.317 1.00 3.53 N ATOM 509 CA GLU A 33 9.403 5.651 -7.077 1.00 4.01 C ATOM 510 C GLU A 33 10.181 5.241 -8.324 1.00 73.14 C ATOM 511 O GLU A 33 9.623 4.650 -9.248 1.00 71.44 O ATOM 512 CB GLU A 33 9.785 4.745 -5.904 1.00 42.51 C ATOM 513 CG GLU A 33 9.689 5.429 -4.551 1.00 14.24 C ATOM 514 CD GLU A 33 9.766 4.450 -3.395 1.00 70.15 C ATOM 515 OE1 GLU A 33 10.687 3.606 -3.395 1.00 12.25 O ATOM 516 OE2 GLU A 33 8.906 4.527 -2.493 1.00 64.21 O ATOM 0 H GLU A 33 7.614 4.662 -7.547 1.00 3.53 H new ATOM 0 HA GLU A 33 9.661 6.681 -6.831 1.00 4.01 H new ATOM 0 HB2 GLU A 33 9.136 3.869 -5.906 1.00 42.51 H new ATOM 0 HB3 GLU A 33 10.804 4.387 -6.049 1.00 42.51 H new ATOM 0 HG2 GLU A 33 10.494 6.158 -4.459 1.00 14.24 H new ATOM 0 HG3 GLU A 33 8.751 5.981 -4.493 1.00 14.24 H new ATOM 523 N GLN A 34 11.471 5.560 -8.342 1.00 52.12 N ATOM 524 CA GLN A 34 12.324 5.226 -9.476 1.00 63.02 C ATOM 525 C GLN A 34 13.006 3.878 -9.266 1.00 31.10 C ATOM 526 O GLN A 34 13.813 3.715 -8.352 1.00 45.23 O ATOM 527 CB GLN A 34 13.377 6.316 -9.688 1.00 32.52 C ATOM 528 CG GLN A 34 13.329 6.948 -11.070 1.00 31.45 C ATOM 529 CD GLN A 34 14.655 6.859 -11.798 1.00 63.02 C ATOM 530 OE1 GLN A 34 15.712 7.122 -11.223 1.00 33.43 O ATOM 531 NE2 GLN A 34 14.607 6.487 -13.072 1.00 45.11 N ATOM 0 H GLN A 34 11.948 6.049 -7.585 1.00 52.12 H new ATOM 0 HA GLN A 34 11.695 5.160 -10.364 1.00 63.02 H new ATOM 0 HB2 GLN A 34 13.239 7.094 -8.937 1.00 32.52 H new ATOM 0 HB3 GLN A 34 14.367 5.889 -9.527 1.00 32.52 H new ATOM 0 HG2 GLN A 34 12.559 6.456 -11.664 1.00 31.45 H new ATOM 0 HG3 GLN A 34 13.039 7.995 -10.977 1.00 31.45 H new ATOM 0 HE21 GLN A 34 13.709 6.278 -13.509 1.00 45.11 H new ATOM 0 HE22 GLN A 34 15.468 6.410 -13.614 1.00 45.11 H new ATOM 540 N GLY A 35 12.674 2.913 -10.119 1.00 22.04 N ATOM 541 CA GLY A 35 13.263 1.591 -10.009 1.00 11.24 C ATOM 542 C GLY A 35 13.912 1.136 -11.301 1.00 14.02 C ATOM 543 O GLY A 35 14.764 1.831 -11.852 1.00 65.32 O ATOM 0 H GLY A 35 12.008 3.023 -10.884 1.00 22.04 H new ATOM 0 HA2 GLY A 35 14.008 1.594 -9.213 1.00 11.24 H new ATOM 0 HA3 GLY A 35 12.492 0.876 -9.722 1.00 11.24 H new ATOM 547 N GLU A 36 13.508 -0.035 -11.784 1.00 12.14 N ATOM 548 CA GLU A 36 14.058 -0.582 -13.018 1.00 22.31 C ATOM 549 C GLU A 36 14.158 0.495 -14.094 1.00 11.20 C ATOM 550 O GLU A 36 13.174 1.164 -14.411 1.00 25.32 O ATOM 551 CB GLU A 36 13.193 -1.740 -13.519 1.00 33.40 C ATOM 552 CG GLU A 36 11.702 -1.512 -13.331 1.00 63.01 C ATOM 553 CD GLU A 36 11.119 -2.357 -12.216 1.00 33.15 C ATOM 554 OE1 GLU A 36 11.490 -3.545 -12.116 1.00 21.42 O ATOM 555 OE2 GLU A 36 10.291 -1.831 -11.443 1.00 10.02 O ATOM 0 H GLU A 36 12.802 -0.622 -11.340 1.00 12.14 H new ATOM 0 HA GLU A 36 15.061 -0.953 -12.805 1.00 22.31 H new ATOM 0 HB2 GLU A 36 13.396 -1.903 -14.577 1.00 33.40 H new ATOM 0 HB3 GLU A 36 13.482 -2.651 -12.995 1.00 33.40 H new ATOM 0 HG2 GLU A 36 11.524 -0.459 -13.115 1.00 63.01 H new ATOM 0 HG3 GLU A 36 11.183 -1.738 -14.263 1.00 63.01 H new ATOM 562 N ALA A 37 15.353 0.658 -14.651 1.00 63.54 N ATOM 563 CA ALA A 37 15.582 1.652 -15.693 1.00 20.35 C ATOM 564 C ALA A 37 14.532 1.546 -16.793 1.00 14.01 C ATOM 565 O ALA A 37 14.345 0.485 -17.386 1.00 75.41 O ATOM 566 CB ALA A 37 16.978 1.493 -16.276 1.00 42.21 C ATOM 0 H ALA A 37 16.178 0.114 -14.398 1.00 63.54 H new ATOM 0 HA ALA A 37 15.499 2.641 -15.242 1.00 20.35 H new ATOM 0 HB1 ALA A 37 17.135 2.241 -17.053 1.00 42.21 H new ATOM 0 HB2 ALA A 37 17.719 1.627 -15.488 1.00 42.21 H new ATOM 0 HB3 ALA A 37 17.081 0.497 -16.706 1.00 42.21 H new ATOM 572 N GLY A 38 13.847 2.654 -17.060 1.00 42.31 N ATOM 573 CA GLY A 38 12.823 2.664 -18.088 1.00 41.03 C ATOM 574 C GLY A 38 11.425 2.546 -17.515 1.00 11.20 C ATOM 575 O GLY A 38 10.478 3.123 -18.048 1.00 72.40 O ATOM 0 H GLY A 38 13.983 3.545 -16.582 1.00 42.31 H new ATOM 0 HA2 GLY A 38 12.900 3.586 -18.664 1.00 41.03 H new ATOM 0 HA3 GLY A 38 12.999 1.841 -18.780 1.00 41.03 H new ATOM 579 N ASN A 39 11.295 1.795 -16.426 1.00 12.40 N ATOM 580 CA ASN A 39 10.001 1.602 -15.781 1.00 61.32 C ATOM 581 C ASN A 39 10.010 2.165 -14.363 1.00 62.32 C ATOM 582 O ASN A 39 11.050 2.593 -13.862 1.00 11.24 O ATOM 583 CB ASN A 39 9.641 0.115 -15.749 1.00 63.14 C ATOM 584 CG ASN A 39 10.317 -0.667 -16.859 1.00 22.41 C ATOM 585 OD1 ASN A 39 9.724 -0.915 -17.909 1.00 44.11 O ATOM 586 ND2 ASN A 39 11.565 -1.061 -16.630 1.00 14.11 N ATOM 0 H ASN A 39 12.069 1.310 -15.972 1.00 12.40 H new ATOM 0 HA ASN A 39 9.250 2.139 -16.361 1.00 61.32 H new ATOM 0 HB2 ASN A 39 9.928 -0.305 -14.785 1.00 63.14 H new ATOM 0 HB3 ASN A 39 8.560 0.004 -15.836 1.00 63.14 H new ATOM 0 HD21 ASN A 39 12.071 -1.592 -17.339 1.00 14.11 H new ATOM 0 HD22 ASN A 39 12.018 -0.833 -15.745 1.00 14.11 H new ATOM 593 N ILE A 40 8.846 2.160 -13.723 1.00 71.50 N ATOM 594 CA ILE A 40 8.720 2.668 -12.363 1.00 25.13 C ATOM 595 C ILE A 40 7.935 1.700 -11.484 1.00 60.04 C ATOM 596 O ILE A 40 7.293 0.774 -11.982 1.00 24.01 O ATOM 597 CB ILE A 40 8.028 4.044 -12.337 1.00 64.54 C ATOM 598 CG1 ILE A 40 7.087 4.187 -13.535 1.00 41.31 C ATOM 599 CG2 ILE A 40 9.064 5.158 -12.334 1.00 64.44 C ATOM 600 CD1 ILE A 40 6.272 5.462 -13.514 1.00 22.54 C ATOM 0 H ILE A 40 7.976 1.810 -14.125 1.00 71.50 H new ATOM 0 HA ILE A 40 9.732 2.772 -11.971 1.00 25.13 H new ATOM 0 HB ILE A 40 7.438 4.121 -11.424 1.00 64.54 H new ATOM 0 HG12 ILE A 40 7.673 4.155 -14.453 1.00 41.31 H new ATOM 0 HG13 ILE A 40 6.410 3.333 -13.559 1.00 41.31 H new ATOM 0 HG21 ILE A 40 8.559 6.124 -12.316 1.00 64.44 H new ATOM 0 HG22 ILE A 40 9.698 5.063 -11.452 1.00 64.44 H new ATOM 0 HG23 ILE A 40 9.678 5.086 -13.232 1.00 64.44 H new ATOM 0 HD11 ILE A 40 5.628 5.497 -14.393 1.00 22.54 H new ATOM 0 HD12 ILE A 40 5.659 5.487 -12.613 1.00 22.54 H new ATOM 0 HD13 ILE A 40 6.942 6.322 -13.521 1.00 22.54 H new ATOM 612 N HIS A 41 7.988 1.921 -10.175 1.00 4.33 N ATOM 613 CA HIS A 41 7.280 1.070 -9.226 1.00 34.20 C ATOM 614 C HIS A 41 6.501 1.910 -8.218 1.00 5.11 C ATOM 615 O HIS A 41 6.785 3.093 -8.030 1.00 44.31 O ATOM 616 CB HIS A 41 8.264 0.156 -8.494 1.00 55.35 C ATOM 617 CG HIS A 41 9.492 0.864 -8.012 1.00 23.42 C ATOM 618 ND1 HIS A 41 10.681 0.215 -7.751 1.00 33.21 N ATOM 619 CD2 HIS A 41 9.713 2.172 -7.745 1.00 1.05 C ATOM 620 CE1 HIS A 41 11.579 1.093 -7.342 1.00 52.13 C ATOM 621 NE2 HIS A 41 11.017 2.288 -7.330 1.00 41.51 N ATOM 0 H HIS A 41 8.514 2.683 -9.747 1.00 4.33 H new ATOM 0 HA HIS A 41 6.573 0.456 -9.784 1.00 34.20 H new ATOM 0 HB2 HIS A 41 7.759 -0.300 -7.642 1.00 55.35 H new ATOM 0 HB3 HIS A 41 8.560 -0.654 -9.160 1.00 55.35 H new ATOM 0 HD1 HIS A 41 10.842 -0.787 -7.857 1.00 33.21 H new ATOM 0 HD2 HIS A 41 8.997 2.975 -7.840 1.00 1.05 H new ATOM 0 HE1 HIS A 41 12.599 0.871 -7.065 1.00 52.13 H new ATOM 629 N PHE A 42 5.519 1.291 -7.572 1.00 54.14 N ATOM 630 CA PHE A 42 4.698 1.982 -6.585 1.00 2.52 C ATOM 631 C PHE A 42 5.076 1.555 -5.169 1.00 55.43 C ATOM 632 O PHE A 42 5.428 0.400 -4.932 1.00 52.33 O ATOM 633 CB PHE A 42 3.215 1.702 -6.836 1.00 21.20 C ATOM 634 CG PHE A 42 2.748 2.125 -8.199 1.00 75.12 C ATOM 635 CD1 PHE A 42 3.322 3.213 -8.836 1.00 53.12 C ATOM 636 CD2 PHE A 42 1.733 1.435 -8.843 1.00 63.32 C ATOM 637 CE1 PHE A 42 2.894 3.605 -10.091 1.00 30.11 C ATOM 638 CE2 PHE A 42 1.302 1.822 -10.098 1.00 32.51 C ATOM 639 CZ PHE A 42 1.882 2.909 -10.722 1.00 71.30 C ATOM 0 H PHE A 42 5.272 0.312 -7.714 1.00 54.14 H new ATOM 0 HA PHE A 42 4.879 3.052 -6.684 1.00 2.52 H new ATOM 0 HB2 PHE A 42 3.029 0.635 -6.712 1.00 21.20 H new ATOM 0 HB3 PHE A 42 2.623 2.219 -6.081 1.00 21.20 H new ATOM 0 HD1 PHE A 42 4.113 3.762 -8.347 1.00 53.12 H new ATOM 0 HD2 PHE A 42 1.274 0.586 -8.359 1.00 63.32 H new ATOM 0 HE1 PHE A 42 3.351 4.454 -10.577 1.00 30.11 H new ATOM 0 HE2 PHE A 42 0.512 1.275 -10.590 1.00 32.51 H new ATOM 0 HZ PHE A 42 1.545 3.214 -11.702 1.00 71.30 H new ATOM 649 N GLN A 43 4.999 2.496 -4.234 1.00 3.24 N ATOM 650 CA GLN A 43 5.334 2.218 -2.842 1.00 32.20 C ATOM 651 C GLN A 43 4.452 3.028 -1.898 1.00 1.15 C ATOM 652 O GLN A 43 4.336 4.246 -2.031 1.00 65.45 O ATOM 653 CB GLN A 43 6.808 2.531 -2.577 1.00 75.33 C ATOM 654 CG GLN A 43 7.688 1.294 -2.500 1.00 32.31 C ATOM 655 CD GLN A 43 8.396 0.999 -3.808 1.00 32.45 C ATOM 656 OE1 GLN A 43 7.874 1.280 -4.887 1.00 32.23 O ATOM 657 NE2 GLN A 43 9.592 0.429 -3.718 1.00 31.21 N ATOM 0 H GLN A 43 4.708 3.457 -4.414 1.00 3.24 H new ATOM 0 HA GLN A 43 5.156 1.159 -2.657 1.00 32.20 H new ATOM 0 HB2 GLN A 43 7.180 3.183 -3.367 1.00 75.33 H new ATOM 0 HB3 GLN A 43 6.891 3.085 -1.642 1.00 75.33 H new ATOM 0 HG2 GLN A 43 8.429 1.429 -1.712 1.00 32.31 H new ATOM 0 HG3 GLN A 43 7.078 0.435 -2.220 1.00 32.31 H new ATOM 0 HE21 GLN A 43 9.987 0.213 -2.802 1.00 31.21 H new ATOM 0 HE22 GLN A 43 10.116 0.207 -4.564 1.00 31.21 H new ATOM 666 N GLY A 44 3.831 2.343 -0.942 1.00 1.43 N ATOM 667 CA GLY A 44 2.967 3.016 0.011 1.00 60.13 C ATOM 668 C GLY A 44 2.293 2.050 0.965 1.00 72.14 C ATOM 669 O GLY A 44 2.662 0.877 1.035 1.00 13.44 O ATOM 0 H GLY A 44 3.911 1.335 -0.811 1.00 1.43 H new ATOM 0 HA2 GLY A 44 3.553 3.737 0.582 1.00 60.13 H new ATOM 0 HA3 GLY A 44 2.206 3.580 -0.528 1.00 60.13 H new ATOM 673 N TYR A 45 1.303 2.542 1.701 1.00 4.54 N ATOM 674 CA TYR A 45 0.579 1.716 2.659 1.00 31.41 C ATOM 675 C TYR A 45 -0.919 1.729 2.367 1.00 5.14 C ATOM 676 O TYR A 45 -1.475 2.753 1.970 1.00 74.12 O ATOM 677 CB TYR A 45 0.836 2.205 4.085 1.00 4.41 C ATOM 678 CG TYR A 45 0.242 3.565 4.375 1.00 53.00 C ATOM 679 CD1 TYR A 45 0.938 4.729 4.074 1.00 64.44 C ATOM 680 CD2 TYR A 45 -1.018 3.686 4.949 1.00 23.25 C ATOM 681 CE1 TYR A 45 0.399 5.973 4.337 1.00 22.35 C ATOM 682 CE2 TYR A 45 -1.565 4.926 5.216 1.00 75.14 C ATOM 683 CZ TYR A 45 -0.853 6.066 4.908 1.00 10.22 C ATOM 684 OH TYR A 45 -1.394 7.304 5.171 1.00 33.34 O ATOM 0 H TYR A 45 0.983 3.509 1.652 1.00 4.54 H new ATOM 0 HA TYR A 45 0.941 0.692 2.563 1.00 31.41 H new ATOM 0 HB2 TYR A 45 0.425 1.481 4.788 1.00 4.41 H new ATOM 0 HB3 TYR A 45 1.911 2.243 4.259 1.00 4.41 H new ATOM 0 HD1 TYR A 45 1.918 4.660 3.626 1.00 64.44 H new ATOM 0 HD2 TYR A 45 -1.579 2.795 5.190 1.00 23.25 H new ATOM 0 HE1 TYR A 45 0.954 6.868 4.097 1.00 22.35 H new ATOM 0 HE2 TYR A 45 -2.545 5.002 5.664 1.00 75.14 H new ATOM 0 HH TYR A 45 -2.281 7.195 5.572 1.00 33.34 H new ATOM 694 N ILE A 46 -1.564 0.585 2.568 1.00 11.34 N ATOM 695 CA ILE A 46 -2.997 0.465 2.329 1.00 22.01 C ATOM 696 C ILE A 46 -3.704 -0.159 3.528 1.00 41.14 C ATOM 697 O ILE A 46 -3.320 -1.228 3.999 1.00 24.50 O ATOM 698 CB ILE A 46 -3.289 -0.382 1.077 1.00 73.23 C ATOM 699 CG1 ILE A 46 -2.589 0.216 -0.145 1.00 60.12 C ATOM 700 CG2 ILE A 46 -4.789 -0.478 0.840 1.00 11.13 C ATOM 701 CD1 ILE A 46 -2.584 -0.701 -1.348 1.00 22.41 C ATOM 0 H ILE A 46 -1.117 -0.272 2.896 1.00 11.34 H new ATOM 0 HA ILE A 46 -3.377 1.475 2.172 1.00 22.01 H new ATOM 0 HB ILE A 46 -2.901 -1.388 1.239 1.00 73.23 H new ATOM 0 HG12 ILE A 46 -3.080 1.151 -0.413 1.00 60.12 H new ATOM 0 HG13 ILE A 46 -1.560 0.461 0.119 1.00 60.12 H new ATOM 0 HG21 ILE A 46 -4.979 -1.080 -0.049 1.00 11.13 H new ATOM 0 HG22 ILE A 46 -5.265 -0.944 1.703 1.00 11.13 H new ATOM 0 HG23 ILE A 46 -5.199 0.521 0.696 1.00 11.13 H new ATOM 0 HD11 ILE A 46 -2.071 -0.212 -2.176 1.00 22.41 H new ATOM 0 HD12 ILE A 46 -2.067 -1.627 -1.097 1.00 22.41 H new ATOM 0 HD13 ILE A 46 -3.610 -0.926 -1.638 1.00 22.41 H new ATOM 713 N GLU A 47 -4.740 0.517 4.014 1.00 73.30 N ATOM 714 CA GLU A 47 -5.502 0.027 5.157 1.00 1.21 C ATOM 715 C GLU A 47 -6.824 -0.587 4.707 1.00 14.21 C ATOM 716 O GLU A 47 -7.661 0.087 4.106 1.00 23.20 O ATOM 717 CB GLU A 47 -5.765 1.164 6.147 1.00 33.21 C ATOM 718 CG GLU A 47 -4.503 1.873 6.610 1.00 75.41 C ATOM 719 CD GLU A 47 -4.753 3.319 6.990 1.00 10.04 C ATOM 720 OE1 GLU A 47 -4.854 4.163 6.076 1.00 40.53 O ATOM 721 OE2 GLU A 47 -4.847 3.607 8.202 1.00 71.32 O ATOM 0 H GLU A 47 -5.071 1.404 3.635 1.00 73.30 H new ATOM 0 HA GLU A 47 -4.912 -0.746 5.650 1.00 1.21 H new ATOM 0 HB2 GLU A 47 -6.431 1.892 5.683 1.00 33.21 H new ATOM 0 HB3 GLU A 47 -6.287 0.764 7.016 1.00 33.21 H new ATOM 0 HG2 GLU A 47 -4.086 1.343 7.466 1.00 75.41 H new ATOM 0 HG3 GLU A 47 -3.757 1.833 5.817 1.00 75.41 H new ATOM 728 N MET A 48 -7.005 -1.870 5.002 1.00 11.14 N ATOM 729 CA MET A 48 -8.226 -2.575 4.629 1.00 62.00 C ATOM 730 C MET A 48 -9.354 -2.265 5.608 1.00 23.41 C ATOM 731 O MET A 48 -9.178 -1.490 6.548 1.00 33.45 O ATOM 732 CB MET A 48 -7.975 -4.083 4.582 1.00 21.54 C ATOM 733 CG MET A 48 -7.154 -4.526 3.382 1.00 72.21 C ATOM 734 SD MET A 48 -8.132 -5.432 2.168 1.00 54.13 S ATOM 735 CE MET A 48 -8.730 -4.089 1.145 1.00 54.31 C ATOM 0 H MET A 48 -6.322 -2.443 5.498 1.00 11.14 H new ATOM 0 HA MET A 48 -8.525 -2.233 3.638 1.00 62.00 H new ATOM 0 HB2 MET A 48 -7.462 -4.386 5.495 1.00 21.54 H new ATOM 0 HB3 MET A 48 -8.933 -4.602 4.568 1.00 21.54 H new ATOM 0 HG2 MET A 48 -6.712 -3.651 2.906 1.00 72.21 H new ATOM 0 HG3 MET A 48 -6.331 -5.154 3.722 1.00 72.21 H new ATOM 0 HE1 MET A 48 -9.805 -3.975 1.286 1.00 54.31 H new ATOM 0 HE2 MET A 48 -8.226 -3.164 1.427 1.00 54.31 H new ATOM 0 HE3 MET A 48 -8.523 -4.309 0.098 1.00 54.31 H new ATOM 745 N LYS A 49 -10.512 -2.875 5.381 1.00 31.43 N ATOM 746 CA LYS A 49 -11.669 -2.666 6.243 1.00 32.24 C ATOM 747 C LYS A 49 -11.301 -2.877 7.709 1.00 52.14 C ATOM 748 O LYS A 49 -11.474 -1.983 8.538 1.00 61.23 O ATOM 749 CB LYS A 49 -12.803 -3.616 5.850 1.00 62.03 C ATOM 750 CG LYS A 49 -14.175 -2.964 5.863 1.00 64.23 C ATOM 751 CD LYS A 49 -15.213 -3.837 5.177 1.00 0.53 C ATOM 752 CE LYS A 49 -16.018 -3.047 4.157 1.00 54.11 C ATOM 753 NZ LYS A 49 -17.118 -2.273 4.797 1.00 73.42 N ATOM 0 H LYS A 49 -10.674 -3.519 4.607 1.00 31.43 H new ATOM 0 HA LYS A 49 -12.004 -1.637 6.115 1.00 32.24 H new ATOM 0 HB2 LYS A 49 -12.607 -4.010 4.853 1.00 62.03 H new ATOM 0 HB3 LYS A 49 -12.807 -4.465 6.533 1.00 62.03 H new ATOM 0 HG2 LYS A 49 -14.480 -2.775 6.892 1.00 64.23 H new ATOM 0 HG3 LYS A 49 -14.124 -1.997 5.363 1.00 64.23 H new ATOM 0 HD2 LYS A 49 -14.718 -4.673 4.683 1.00 0.53 H new ATOM 0 HD3 LYS A 49 -15.885 -4.260 5.924 1.00 0.53 H new ATOM 0 HE2 LYS A 49 -15.357 -2.365 3.623 1.00 54.11 H new ATOM 0 HE3 LYS A 49 -16.437 -3.730 3.418 1.00 54.11 H new ATOM 0 HZ1 LYS A 49 -17.643 -1.748 4.068 1.00 73.42 H new ATOM 0 HZ2 LYS A 49 -17.763 -2.926 5.286 1.00 73.42 H new ATOM 0 HZ3 LYS A 49 -16.717 -1.603 5.484 1.00 73.42 H new ATOM 767 N LYS A 50 -10.792 -4.063 8.021 1.00 23.53 N ATOM 768 CA LYS A 50 -10.396 -4.391 9.386 1.00 70.42 C ATOM 769 C LYS A 50 -9.901 -5.831 9.478 1.00 61.24 C ATOM 770 O LYS A 50 -8.703 -6.078 9.620 1.00 51.40 O ATOM 771 CB LYS A 50 -11.571 -4.183 10.344 1.00 53.15 C ATOM 772 CG LYS A 50 -11.376 -3.022 11.303 1.00 44.42 C ATOM 773 CD LYS A 50 -12.693 -2.578 11.917 1.00 24.04 C ATOM 774 CE LYS A 50 -12.476 -1.551 13.019 1.00 61.45 C ATOM 775 NZ LYS A 50 -13.341 -1.816 14.201 1.00 14.42 N ATOM 0 H LYS A 50 -10.644 -4.814 7.347 1.00 23.53 H new ATOM 0 HA LYS A 50 -9.581 -3.726 9.671 1.00 70.42 H new ATOM 0 HB2 LYS A 50 -12.477 -4.015 9.763 1.00 53.15 H new ATOM 0 HB3 LYS A 50 -11.726 -5.096 10.919 1.00 53.15 H new ATOM 0 HG2 LYS A 50 -10.685 -3.314 12.094 1.00 44.42 H new ATOM 0 HG3 LYS A 50 -10.920 -2.185 10.774 1.00 44.42 H new ATOM 0 HD2 LYS A 50 -13.332 -2.153 11.143 1.00 24.04 H new ATOM 0 HD3 LYS A 50 -13.217 -3.444 12.323 1.00 24.04 H new ATOM 0 HE2 LYS A 50 -11.430 -1.562 13.325 1.00 61.45 H new ATOM 0 HE3 LYS A 50 -12.685 -0.554 12.632 1.00 61.45 H new ATOM 0 HZ1 LYS A 50 -13.164 -1.095 14.929 1.00 14.42 H new ATOM 0 HZ2 LYS A 50 -14.340 -1.781 13.915 1.00 14.42 H new ATOM 0 HZ3 LYS A 50 -13.124 -2.758 14.586 1.00 14.42 H new ATOM 789 N ARG A 51 -10.830 -6.778 9.394 1.00 63.01 N ATOM 790 CA ARG A 51 -10.487 -8.193 9.467 1.00 20.24 C ATOM 791 C ARG A 51 -10.247 -8.767 8.074 1.00 25.32 C ATOM 792 O ARG A 51 -10.679 -9.878 7.765 1.00 73.02 O ATOM 793 CB ARG A 51 -11.601 -8.974 10.167 1.00 1.01 C ATOM 794 CG ARG A 51 -11.124 -10.260 10.822 1.00 14.14 C ATOM 795 CD ARG A 51 -12.288 -11.069 11.372 1.00 33.45 C ATOM 796 NE ARG A 51 -12.777 -10.534 12.640 1.00 4.14 N ATOM 797 CZ ARG A 51 -13.862 -10.985 13.259 1.00 21.04 C ATOM 798 NH1 ARG A 51 -14.568 -11.975 12.730 1.00 2.31 N ATOM 799 NH2 ARG A 51 -14.243 -10.446 14.411 1.00 63.34 N ATOM 0 H ARG A 51 -11.826 -6.591 9.275 1.00 63.01 H new ATOM 0 HA ARG A 51 -9.567 -8.289 10.044 1.00 20.24 H new ATOM 0 HB2 ARG A 51 -12.058 -8.338 10.925 1.00 1.01 H new ATOM 0 HB3 ARG A 51 -12.378 -9.213 9.440 1.00 1.01 H new ATOM 0 HG2 ARG A 51 -10.575 -10.858 10.095 1.00 14.14 H new ATOM 0 HG3 ARG A 51 -10.430 -10.023 11.629 1.00 14.14 H new ATOM 0 HD2 ARG A 51 -13.100 -11.076 10.645 1.00 33.45 H new ATOM 0 HD3 ARG A 51 -11.976 -12.104 11.512 1.00 33.45 H new ATOM 0 HE ARG A 51 -12.256 -9.772 13.074 1.00 4.14 H new ATOM 0 HH11 ARG A 51 -14.278 -12.392 11.845 1.00 2.31 H new ATOM 0 HH12 ARG A 51 -15.401 -12.319 13.208 1.00 2.31 H new ATOM 0 HH21 ARG A 51 -13.702 -9.685 14.821 1.00 63.34 H new ATOM 0 HH22 ARG A 51 -15.076 -10.793 14.886 1.00 63.34 H new ATOM 813 N THR A 52 -9.554 -8.003 7.236 1.00 44.41 N ATOM 814 CA THR A 52 -9.257 -8.434 5.876 1.00 50.43 C ATOM 815 C THR A 52 -7.830 -8.958 5.764 1.00 32.50 C ATOM 816 O THR A 52 -6.868 -8.215 5.958 1.00 33.31 O ATOM 817 CB THR A 52 -9.450 -7.285 4.868 1.00 43.12 C ATOM 818 OG1 THR A 52 -10.252 -6.251 5.450 1.00 23.43 O ATOM 819 CG2 THR A 52 -10.110 -7.788 3.593 1.00 21.41 C ATOM 0 H THR A 52 -9.188 -7.082 7.476 1.00 44.41 H new ATOM 0 HA THR A 52 -9.955 -9.237 5.640 1.00 50.43 H new ATOM 0 HB THR A 52 -8.468 -6.884 4.616 1.00 43.12 H new ATOM 0 HG1 THR A 52 -10.758 -5.794 4.746 1.00 23.43 H new ATOM 0 HG21 THR A 52 -10.236 -6.959 2.897 1.00 21.41 H new ATOM 0 HG22 THR A 52 -9.483 -8.553 3.136 1.00 21.41 H new ATOM 0 HG23 THR A 52 -11.085 -8.213 3.831 1.00 21.41 H new ATOM 827 N SER A 53 -7.700 -10.243 5.449 1.00 31.44 N ATOM 828 CA SER A 53 -6.390 -10.869 5.315 1.00 44.51 C ATOM 829 C SER A 53 -5.727 -10.464 4.001 1.00 32.24 C ATOM 830 O SER A 53 -6.300 -9.715 3.208 1.00 24.43 O ATOM 831 CB SER A 53 -6.518 -12.391 5.387 1.00 63.30 C ATOM 832 OG SER A 53 -7.719 -12.832 4.777 1.00 45.42 O ATOM 0 H SER A 53 -8.486 -10.871 5.282 1.00 31.44 H new ATOM 0 HA SER A 53 -5.765 -10.526 6.139 1.00 44.51 H new ATOM 0 HB2 SER A 53 -5.664 -12.855 4.893 1.00 63.30 H new ATOM 0 HB3 SER A 53 -6.496 -12.712 6.428 1.00 63.30 H new ATOM 0 HG SER A 53 -7.776 -13.809 4.835 1.00 45.42 H new ATOM 838 N LEU A 54 -4.517 -10.965 3.778 1.00 51.31 N ATOM 839 CA LEU A 54 -3.775 -10.657 2.561 1.00 45.34 C ATOM 840 C LEU A 54 -4.610 -10.962 1.321 1.00 3.03 C ATOM 841 O LEU A 54 -4.455 -10.320 0.283 1.00 60.12 O ATOM 842 CB LEU A 54 -2.470 -11.455 2.520 1.00 51.52 C ATOM 843 CG LEU A 54 -1.592 -11.243 1.286 1.00 51.22 C ATOM 844 CD1 LEU A 54 -1.084 -9.811 1.232 1.00 44.41 C ATOM 845 CD2 LEU A 54 -0.429 -12.224 1.284 1.00 31.11 C ATOM 0 H LEU A 54 -4.029 -11.586 4.424 1.00 51.31 H new ATOM 0 HA LEU A 54 -3.543 -9.592 2.567 1.00 45.34 H new ATOM 0 HB2 LEU A 54 -1.885 -11.203 3.405 1.00 51.52 H new ATOM 0 HB3 LEU A 54 -2.713 -12.515 2.590 1.00 51.52 H new ATOM 0 HG LEU A 54 -2.197 -11.426 0.398 1.00 51.22 H new ATOM 0 HD11 LEU A 54 -0.461 -9.679 0.347 1.00 44.41 H new ATOM 0 HD12 LEU A 54 -1.931 -9.126 1.185 1.00 44.41 H new ATOM 0 HD13 LEU A 54 -0.495 -9.600 2.125 1.00 44.41 H new ATOM 0 HD21 LEU A 54 0.185 -12.059 0.399 1.00 31.11 H new ATOM 0 HD22 LEU A 54 0.176 -12.073 2.178 1.00 31.11 H new ATOM 0 HD23 LEU A 54 -0.813 -13.244 1.274 1.00 31.11 H new ATOM 857 N ALA A 55 -5.497 -11.945 1.439 1.00 5.21 N ATOM 858 CA ALA A 55 -6.359 -12.332 0.330 1.00 33.30 C ATOM 859 C ALA A 55 -7.129 -11.133 -0.212 1.00 2.50 C ATOM 860 O ALA A 55 -7.407 -11.050 -1.408 1.00 0.35 O ATOM 861 CB ALA A 55 -7.323 -13.426 0.768 1.00 44.33 C ATOM 0 H ALA A 55 -5.637 -12.487 2.291 1.00 5.21 H new ATOM 0 HA ALA A 55 -5.728 -12.717 -0.471 1.00 33.30 H new ATOM 0 HB1 ALA A 55 -7.961 -13.706 -0.070 1.00 44.33 H new ATOM 0 HB2 ALA A 55 -6.758 -14.297 1.100 1.00 44.33 H new ATOM 0 HB3 ALA A 55 -7.941 -13.060 1.588 1.00 44.33 H new ATOM 867 N GLY A 56 -7.471 -10.204 0.676 1.00 31.13 N ATOM 868 CA GLY A 56 -8.206 -9.022 0.268 1.00 54.45 C ATOM 869 C GLY A 56 -7.353 -8.055 -0.529 1.00 2.43 C ATOM 870 O GLY A 56 -7.792 -7.523 -1.548 1.00 70.31 O ATOM 0 H GLY A 56 -7.252 -10.250 1.671 1.00 31.13 H new ATOM 0 HA2 GLY A 56 -9.066 -9.322 -0.331 1.00 54.45 H new ATOM 0 HA3 GLY A 56 -8.594 -8.516 1.152 1.00 54.45 H new ATOM 874 N MET A 57 -6.130 -7.824 -0.062 1.00 20.51 N ATOM 875 CA MET A 57 -5.213 -6.914 -0.738 1.00 11.11 C ATOM 876 C MET A 57 -4.695 -7.528 -2.034 1.00 65.04 C ATOM 877 O MET A 57 -4.725 -6.894 -3.090 1.00 31.25 O ATOM 878 CB MET A 57 -4.040 -6.564 0.179 1.00 2.52 C ATOM 879 CG MET A 57 -4.440 -5.731 1.386 1.00 4.42 C ATOM 880 SD MET A 57 -4.287 -3.959 1.089 1.00 44.21 S ATOM 881 CE MET A 57 -5.746 -3.655 0.095 1.00 24.03 C ATOM 0 H MET A 57 -5.751 -8.254 0.782 1.00 20.51 H new ATOM 0 HA MET A 57 -5.759 -6.002 -0.982 1.00 11.11 H new ATOM 0 HB2 MET A 57 -3.571 -7.486 0.523 1.00 2.52 H new ATOM 0 HB3 MET A 57 -3.290 -6.020 -0.395 1.00 2.52 H new ATOM 0 HG2 MET A 57 -5.470 -5.962 1.657 1.00 4.42 H new ATOM 0 HG3 MET A 57 -3.817 -6.008 2.236 1.00 4.42 H new ATOM 0 HE1 MET A 57 -5.446 -3.328 -0.901 1.00 24.03 H new ATOM 0 HE2 MET A 57 -6.329 -4.572 0.015 1.00 24.03 H new ATOM 0 HE3 MET A 57 -6.351 -2.880 0.565 1.00 24.03 H new ATOM 891 N LYS A 58 -4.218 -8.765 -1.949 1.00 31.44 N ATOM 892 CA LYS A 58 -3.693 -9.466 -3.115 1.00 34.35 C ATOM 893 C LYS A 58 -4.720 -9.491 -4.242 1.00 50.34 C ATOM 894 O LYS A 58 -4.363 -9.494 -5.421 1.00 14.22 O ATOM 895 CB LYS A 58 -3.297 -10.896 -2.740 1.00 73.31 C ATOM 896 CG LYS A 58 -4.476 -11.851 -2.654 1.00 5.14 C ATOM 897 CD LYS A 58 -4.025 -13.264 -2.325 1.00 70.41 C ATOM 898 CE LYS A 58 -3.270 -13.316 -1.006 1.00 33.44 C ATOM 899 NZ LYS A 58 -3.421 -14.636 -0.332 1.00 65.24 N ATOM 0 H LYS A 58 -4.184 -9.304 -1.083 1.00 31.44 H new ATOM 0 HA LYS A 58 -2.810 -8.930 -3.463 1.00 34.35 H new ATOM 0 HB2 LYS A 58 -2.588 -11.273 -3.477 1.00 73.31 H new ATOM 0 HB3 LYS A 58 -2.781 -10.881 -1.780 1.00 73.31 H new ATOM 0 HG2 LYS A 58 -5.172 -11.503 -1.891 1.00 5.14 H new ATOM 0 HG3 LYS A 58 -5.015 -11.851 -3.601 1.00 5.14 H new ATOM 0 HD2 LYS A 58 -4.893 -13.921 -2.275 1.00 70.41 H new ATOM 0 HD3 LYS A 58 -3.387 -13.639 -3.125 1.00 70.41 H new ATOM 0 HE2 LYS A 58 -2.213 -13.118 -1.184 1.00 33.44 H new ATOM 0 HE3 LYS A 58 -3.635 -12.528 -0.347 1.00 33.44 H new ATOM 0 HZ1 LYS A 58 -2.892 -14.631 0.563 1.00 65.24 H new ATOM 0 HZ2 LYS A 58 -4.427 -14.814 -0.139 1.00 65.24 H new ATOM 0 HZ3 LYS A 58 -3.049 -15.386 -0.950 1.00 65.24 H new ATOM 913 N LYS A 59 -5.997 -9.507 -3.874 1.00 44.40 N ATOM 914 CA LYS A 59 -7.076 -9.528 -4.854 1.00 40.30 C ATOM 915 C LYS A 59 -6.966 -8.344 -5.810 1.00 15.24 C ATOM 916 O LYS A 59 -7.318 -8.447 -6.986 1.00 34.45 O ATOM 917 CB LYS A 59 -8.434 -9.503 -4.148 1.00 63.23 C ATOM 918 CG LYS A 59 -9.214 -10.799 -4.285 1.00 61.14 C ATOM 919 CD LYS A 59 -10.238 -10.953 -3.174 1.00 34.41 C ATOM 920 CE LYS A 59 -10.785 -12.372 -3.112 1.00 43.43 C ATOM 921 NZ LYS A 59 -12.132 -12.420 -2.479 1.00 63.22 N ATOM 0 H LYS A 59 -6.310 -9.506 -2.903 1.00 44.40 H new ATOM 0 HA LYS A 59 -6.991 -10.448 -5.432 1.00 40.30 H new ATOM 0 HB2 LYS A 59 -8.280 -9.291 -3.090 1.00 63.23 H new ATOM 0 HB3 LYS A 59 -9.030 -8.685 -4.553 1.00 63.23 H new ATOM 0 HG2 LYS A 59 -9.718 -10.821 -5.251 1.00 61.14 H new ATOM 0 HG3 LYS A 59 -8.525 -11.643 -4.266 1.00 61.14 H new ATOM 0 HD2 LYS A 59 -9.781 -10.696 -2.218 1.00 34.41 H new ATOM 0 HD3 LYS A 59 -11.058 -10.253 -3.334 1.00 34.41 H new ATOM 0 HE2 LYS A 59 -10.842 -12.783 -4.120 1.00 43.43 H new ATOM 0 HE3 LYS A 59 -10.097 -13.002 -2.549 1.00 43.43 H new ATOM 0 HZ1 LYS A 59 -12.470 -13.403 -2.456 1.00 63.22 H new ATOM 0 HZ2 LYS A 59 -12.073 -12.051 -1.508 1.00 63.22 H new ATOM 0 HZ3 LYS A 59 -12.796 -11.839 -3.030 1.00 63.22 H new ATOM 935 N LEU A 60 -6.476 -7.220 -5.298 1.00 64.34 N ATOM 936 CA LEU A 60 -6.318 -6.016 -6.107 1.00 70.53 C ATOM 937 C LEU A 60 -5.025 -6.068 -6.914 1.00 44.00 C ATOM 938 O LEU A 60 -4.985 -5.645 -8.070 1.00 12.53 O ATOM 939 CB LEU A 60 -6.327 -4.774 -5.215 1.00 61.00 C ATOM 940 CG LEU A 60 -7.682 -4.381 -4.625 1.00 23.22 C ATOM 941 CD1 LEU A 60 -8.025 -5.269 -3.439 1.00 2.14 C ATOM 942 CD2 LEU A 60 -7.680 -2.916 -4.214 1.00 3.02 C ATOM 0 H LEU A 60 -6.181 -7.117 -4.327 1.00 64.34 H new ATOM 0 HA LEU A 60 -7.156 -5.962 -6.802 1.00 70.53 H new ATOM 0 HB2 LEU A 60 -5.629 -4.936 -4.394 1.00 61.00 H new ATOM 0 HB3 LEU A 60 -5.948 -3.932 -5.794 1.00 61.00 H new ATOM 0 HG LEU A 60 -8.445 -4.522 -5.391 1.00 23.22 H new ATOM 0 HD11 LEU A 60 -8.992 -4.975 -3.032 1.00 2.14 H new ATOM 0 HD12 LEU A 60 -8.069 -6.309 -3.764 1.00 2.14 H new ATOM 0 HD13 LEU A 60 -7.260 -5.161 -2.670 1.00 2.14 H new ATOM 0 HD21 LEU A 60 -8.652 -2.654 -3.796 1.00 3.02 H new ATOM 0 HD22 LEU A 60 -6.906 -2.749 -3.465 1.00 3.02 H new ATOM 0 HD23 LEU A 60 -7.480 -2.294 -5.086 1.00 3.02 H new ATOM 954 N ILE A 61 -3.970 -6.591 -6.298 1.00 43.12 N ATOM 955 CA ILE A 61 -2.676 -6.701 -6.961 1.00 1.45 C ATOM 956 C ILE A 61 -1.950 -7.975 -6.542 1.00 13.33 C ATOM 957 O ILE A 61 -1.061 -7.961 -5.690 1.00 73.10 O ATOM 958 CB ILE A 61 -1.780 -5.487 -6.650 1.00 23.20 C ATOM 959 CG1 ILE A 61 -2.479 -4.190 -7.063 1.00 21.32 C ATOM 960 CG2 ILE A 61 -0.441 -5.622 -7.359 1.00 64.42 C ATOM 961 CD1 ILE A 61 -3.358 -3.606 -5.979 1.00 60.41 C ATOM 0 H ILE A 61 -3.986 -6.945 -5.342 1.00 43.12 H new ATOM 0 HA ILE A 61 -2.872 -6.733 -8.033 1.00 1.45 H new ATOM 0 HB ILE A 61 -1.599 -5.454 -5.576 1.00 23.20 H new ATOM 0 HG12 ILE A 61 -1.726 -3.454 -7.344 1.00 21.32 H new ATOM 0 HG13 ILE A 61 -3.086 -4.380 -7.949 1.00 21.32 H new ATOM 0 HG21 ILE A 61 0.181 -4.757 -7.130 1.00 64.42 H new ATOM 0 HG22 ILE A 61 0.060 -6.529 -7.021 1.00 64.42 H new ATOM 0 HG23 ILE A 61 -0.603 -5.677 -8.435 1.00 64.42 H new ATOM 0 HD11 ILE A 61 -3.821 -2.688 -6.341 1.00 60.41 H new ATOM 0 HD12 ILE A 61 -4.134 -4.324 -5.714 1.00 60.41 H new ATOM 0 HD13 ILE A 61 -2.753 -3.384 -5.100 1.00 60.41 H new ATOM 973 N PRO A 62 -2.335 -9.104 -7.155 1.00 15.21 N ATOM 974 CA PRO A 62 -1.733 -10.408 -6.864 1.00 2.04 C ATOM 975 C PRO A 62 -0.297 -10.509 -7.367 1.00 50.51 C ATOM 976 O PRO A 62 0.396 -11.491 -7.105 1.00 75.04 O ATOM 977 CB PRO A 62 -2.633 -11.391 -7.616 1.00 54.21 C ATOM 978 CG PRO A 62 -3.230 -10.588 -8.720 1.00 74.42 C ATOM 979 CD PRO A 62 -3.389 -9.194 -8.180 1.00 63.00 C ATOM 0 HA PRO A 62 -1.673 -10.598 -5.792 1.00 2.04 H new ATOM 0 HB2 PRO A 62 -2.061 -12.234 -8.004 1.00 54.21 H new ATOM 0 HB3 PRO A 62 -3.403 -11.801 -6.963 1.00 54.21 H new ATOM 0 HG2 PRO A 62 -2.586 -10.595 -9.599 1.00 74.42 H new ATOM 0 HG3 PRO A 62 -4.192 -11.000 -9.026 1.00 74.42 H new ATOM 0 HD2 PRO A 62 -3.257 -8.443 -8.959 1.00 63.00 H new ATOM 0 HD3 PRO A 62 -4.380 -9.039 -7.753 1.00 63.00 H new ATOM 987 N GLY A 63 0.145 -9.485 -8.091 1.00 54.54 N ATOM 988 CA GLY A 63 1.496 -9.478 -8.620 1.00 2.22 C ATOM 989 C GLY A 63 2.393 -8.486 -7.906 1.00 31.13 C ATOM 990 O GLY A 63 3.175 -7.778 -8.539 1.00 62.44 O ATOM 0 H GLY A 63 -0.409 -8.660 -8.321 1.00 54.54 H new ATOM 0 HA2 GLY A 63 1.922 -10.477 -8.532 1.00 2.22 H new ATOM 0 HA3 GLY A 63 1.466 -9.236 -9.682 1.00 2.22 H new ATOM 994 N ALA A 64 2.278 -8.433 -6.583 1.00 24.13 N ATOM 995 CA ALA A 64 3.086 -7.521 -5.782 1.00 33.00 C ATOM 996 C ALA A 64 3.465 -8.152 -4.446 1.00 51.25 C ATOM 997 O ALA A 64 2.851 -9.128 -4.013 1.00 4.53 O ATOM 998 CB ALA A 64 2.340 -6.214 -5.558 1.00 35.14 C ATOM 0 H ALA A 64 1.633 -9.011 -6.043 1.00 24.13 H new ATOM 0 HA ALA A 64 4.005 -7.313 -6.329 1.00 33.00 H new ATOM 0 HB1 ALA A 64 2.955 -5.542 -4.959 1.00 35.14 H new ATOM 0 HB2 ALA A 64 2.125 -5.748 -6.520 1.00 35.14 H new ATOM 0 HB3 ALA A 64 1.405 -6.414 -5.035 1.00 35.14 H new ATOM 1004 N HIS A 65 4.480 -7.589 -3.799 1.00 23.34 N ATOM 1005 CA HIS A 65 4.941 -8.097 -2.511 1.00 64.45 C ATOM 1006 C HIS A 65 4.284 -7.341 -1.361 1.00 52.45 C ATOM 1007 O HIS A 65 4.471 -6.133 -1.212 1.00 23.12 O ATOM 1008 CB HIS A 65 6.463 -7.982 -2.409 1.00 74.43 C ATOM 1009 CG HIS A 65 7.067 -8.907 -1.398 1.00 34.40 C ATOM 1010 ND1 HIS A 65 7.892 -9.958 -1.738 1.00 25.13 N ATOM 1011 CD2 HIS A 65 6.962 -8.934 -0.049 1.00 2.13 C ATOM 1012 CE1 HIS A 65 8.268 -10.592 -0.641 1.00 45.03 C ATOM 1013 NE2 HIS A 65 7.718 -9.990 0.398 1.00 60.05 N ATOM 0 H HIS A 65 4.999 -6.782 -4.145 1.00 23.34 H new ATOM 0 HA HIS A 65 4.657 -9.147 -2.440 1.00 64.45 H new ATOM 0 HB2 HIS A 65 6.901 -8.188 -3.386 1.00 74.43 H new ATOM 0 HB3 HIS A 65 6.725 -6.956 -2.153 1.00 74.43 H new ATOM 0 HD2 HIS A 65 6.390 -8.252 0.562 1.00 2.13 H new ATOM 0 HE1 HIS A 65 8.915 -11.456 -0.601 1.00 45.03 H new ATOM 0 HE2 HIS A 65 7.836 -10.265 1.373 1.00 60.05 H new ATOM 1021 N PHE A 66 3.512 -8.058 -0.552 1.00 31.30 N ATOM 1022 CA PHE A 66 2.825 -7.454 0.584 1.00 71.14 C ATOM 1023 C PHE A 66 3.450 -7.905 1.900 1.00 20.43 C ATOM 1024 O PHE A 66 4.109 -8.943 1.963 1.00 41.45 O ATOM 1025 CB PHE A 66 1.339 -7.818 0.560 1.00 31.22 C ATOM 1026 CG PHE A 66 0.488 -6.818 -0.168 1.00 50.34 C ATOM 1027 CD1 PHE A 66 0.429 -6.816 -1.553 1.00 2.14 C ATOM 1028 CD2 PHE A 66 -0.253 -5.879 0.531 1.00 2.51 C ATOM 1029 CE1 PHE A 66 -0.353 -5.897 -2.226 1.00 51.23 C ATOM 1030 CE2 PHE A 66 -1.037 -4.957 -0.137 1.00 72.40 C ATOM 1031 CZ PHE A 66 -1.086 -4.966 -1.517 1.00 55.33 C ATOM 0 H PHE A 66 3.346 -9.058 -0.662 1.00 31.30 H new ATOM 0 HA PHE A 66 2.928 -6.372 0.506 1.00 71.14 H new ATOM 0 HB2 PHE A 66 1.220 -8.794 0.090 1.00 31.22 H new ATOM 0 HB3 PHE A 66 0.980 -7.911 1.585 1.00 31.22 H new ATOM 0 HD1 PHE A 66 1.001 -7.541 -2.113 1.00 2.14 H new ATOM 0 HD2 PHE A 66 -0.218 -5.867 1.610 1.00 2.51 H new ATOM 0 HE1 PHE A 66 -0.391 -5.907 -3.305 1.00 51.23 H new ATOM 0 HE2 PHE A 66 -1.610 -4.231 0.420 1.00 72.40 H new ATOM 0 HZ PHE A 66 -1.697 -4.246 -2.041 1.00 55.33 H new ATOM 1041 N GLU A 67 3.238 -7.118 2.950 1.00 51.41 N ATOM 1042 CA GLU A 67 3.782 -7.435 4.265 1.00 31.40 C ATOM 1043 C GLU A 67 2.918 -6.835 5.371 1.00 43.14 C ATOM 1044 O GLU A 67 2.865 -5.617 5.540 1.00 13.42 O ATOM 1045 CB GLU A 67 5.217 -6.919 4.386 1.00 10.44 C ATOM 1046 CG GLU A 67 6.263 -8.020 4.378 1.00 23.30 C ATOM 1047 CD GLU A 67 7.680 -7.479 4.385 1.00 30.41 C ATOM 1048 OE1 GLU A 67 8.184 -7.124 3.299 1.00 11.30 O ATOM 1049 OE2 GLU A 67 8.285 -7.412 5.475 1.00 34.15 O ATOM 0 H GLU A 67 2.693 -6.256 2.915 1.00 51.41 H new ATOM 0 HA GLU A 67 3.783 -8.519 4.377 1.00 31.40 H new ATOM 0 HB2 GLU A 67 5.418 -6.233 3.563 1.00 10.44 H new ATOM 0 HB3 GLU A 67 5.312 -6.347 5.309 1.00 10.44 H new ATOM 0 HG2 GLU A 67 6.118 -8.660 5.248 1.00 23.30 H new ATOM 0 HG3 GLU A 67 6.121 -8.645 3.496 1.00 23.30 H new ATOM 1056 N LYS A 68 2.243 -7.699 6.120 1.00 14.05 N ATOM 1057 CA LYS A 68 1.381 -7.257 7.211 1.00 43.33 C ATOM 1058 C LYS A 68 1.846 -7.839 8.542 1.00 70.13 C ATOM 1059 O LYS A 68 1.094 -7.861 9.516 1.00 22.43 O ATOM 1060 CB LYS A 68 -0.068 -7.666 6.941 1.00 34.10 C ATOM 1061 CG LYS A 68 -1.072 -6.992 7.861 1.00 61.03 C ATOM 1062 CD LYS A 68 -2.054 -7.994 8.445 1.00 44.02 C ATOM 1063 CE LYS A 68 -3.273 -7.301 9.033 1.00 31.23 C ATOM 1064 NZ LYS A 68 -4.392 -8.255 9.272 1.00 65.00 N ATOM 0 H LYS A 68 2.276 -8.710 5.992 1.00 14.05 H new ATOM 0 HA LYS A 68 1.440 -6.170 7.270 1.00 43.33 H new ATOM 0 HB2 LYS A 68 -0.318 -7.427 5.907 1.00 34.10 H new ATOM 0 HB3 LYS A 68 -0.158 -8.747 7.049 1.00 34.10 H new ATOM 0 HG2 LYS A 68 -0.544 -6.486 8.669 1.00 61.03 H new ATOM 0 HG3 LYS A 68 -1.617 -6.227 7.308 1.00 61.03 H new ATOM 0 HD2 LYS A 68 -2.369 -8.691 7.669 1.00 44.02 H new ATOM 0 HD3 LYS A 68 -1.559 -8.581 9.219 1.00 44.02 H new ATOM 0 HE2 LYS A 68 -2.999 -6.820 9.972 1.00 31.23 H new ATOM 0 HE3 LYS A 68 -3.605 -6.514 8.356 1.00 31.23 H new ATOM 0 HZ1 LYS A 68 -5.204 -7.744 9.673 1.00 65.00 H new ATOM 0 HZ2 LYS A 68 -4.670 -8.696 8.372 1.00 65.00 H new ATOM 0 HZ3 LYS A 68 -4.084 -8.992 9.938 1.00 65.00 H new ATOM 1078 N ARG A 69 3.089 -8.308 8.576 1.00 41.15 N ATOM 1079 CA ARG A 69 3.653 -8.890 9.787 1.00 4.23 C ATOM 1080 C ARG A 69 3.807 -7.833 10.877 1.00 21.13 C ATOM 1081 O ARG A 69 4.119 -8.152 12.025 1.00 42.42 O ATOM 1082 CB ARG A 69 5.010 -9.530 9.487 1.00 2.43 C ATOM 1083 CG ARG A 69 5.104 -10.986 9.912 1.00 71.14 C ATOM 1084 CD ARG A 69 6.519 -11.521 9.760 1.00 45.41 C ATOM 1085 NE ARG A 69 7.235 -11.544 11.033 1.00 70.12 N ATOM 1086 CZ ARG A 69 8.512 -11.891 11.152 1.00 53.11 C ATOM 1087 NH1 ARG A 69 9.210 -12.241 10.080 1.00 33.14 N ATOM 1088 NH2 ARG A 69 9.093 -11.887 12.345 1.00 70.53 N ATOM 0 H ARG A 69 3.725 -8.296 7.778 1.00 41.15 H new ATOM 0 HA ARG A 69 2.968 -9.659 10.144 1.00 4.23 H new ATOM 0 HB2 ARG A 69 5.207 -9.459 8.417 1.00 2.43 H new ATOM 0 HB3 ARG A 69 5.790 -8.961 9.993 1.00 2.43 H new ATOM 0 HG2 ARG A 69 4.786 -11.084 10.950 1.00 71.14 H new ATOM 0 HG3 ARG A 69 4.421 -11.586 9.311 1.00 71.14 H new ATOM 0 HD2 ARG A 69 6.483 -12.529 9.346 1.00 45.41 H new ATOM 0 HD3 ARG A 69 7.066 -10.903 9.048 1.00 45.41 H new ATOM 0 HE ARG A 69 6.727 -11.279 11.877 1.00 70.12 H new ATOM 0 HH11 ARG A 69 8.767 -12.244 9.161 1.00 33.14 H new ATOM 0 HH12 ARG A 69 10.190 -12.507 10.174 1.00 33.14 H new ATOM 0 HH21 ARG A 69 8.559 -11.617 13.171 1.00 70.53 H new ATOM 0 HH22 ARG A 69 10.073 -12.154 12.436 1.00 70.53 H new ATOM 1102 N ARG A 70 3.586 -6.575 10.510 1.00 64.11 N ATOM 1103 CA ARG A 70 3.702 -5.471 11.456 1.00 62.55 C ATOM 1104 C ARG A 70 5.161 -5.226 11.828 1.00 4.32 C ATOM 1105 O ARG A 70 5.471 -4.872 12.965 1.00 43.01 O ATOM 1106 CB ARG A 70 2.885 -5.764 12.715 1.00 2.54 C ATOM 1107 CG ARG A 70 2.310 -4.518 13.371 1.00 61.44 C ATOM 1108 CD ARG A 70 1.282 -4.873 14.433 1.00 12.44 C ATOM 1109 NE ARG A 70 1.071 -3.778 15.377 1.00 33.20 N ATOM 1110 CZ ARG A 70 0.245 -3.852 16.415 1.00 53.42 C ATOM 1111 NH1 ARG A 70 -0.444 -4.962 16.641 1.00 3.11 N ATOM 1112 NH2 ARG A 70 0.106 -2.813 17.229 1.00 25.00 N ATOM 0 H ARG A 70 3.326 -6.295 9.564 1.00 64.11 H new ATOM 0 HA ARG A 70 3.311 -4.572 10.979 1.00 62.55 H new ATOM 0 HB2 ARG A 70 2.069 -6.440 12.459 1.00 2.54 H new ATOM 0 HB3 ARG A 70 3.516 -6.285 13.435 1.00 2.54 H new ATOM 0 HG2 ARG A 70 3.115 -3.938 13.822 1.00 61.44 H new ATOM 0 HG3 ARG A 70 1.848 -3.886 12.612 1.00 61.44 H new ATOM 0 HD2 ARG A 70 0.337 -5.125 13.953 1.00 12.44 H new ATOM 0 HD3 ARG A 70 1.611 -5.760 14.974 1.00 12.44 H new ATOM 0 HE ARG A 70 1.586 -2.910 15.231 1.00 33.20 H new ATOM 0 HH11 ARG A 70 -0.341 -5.762 16.017 1.00 3.11 H new ATOM 0 HH12 ARG A 70 -1.077 -5.016 17.439 1.00 3.11 H new ATOM 0 HH21 ARG A 70 0.633 -1.957 17.058 1.00 25.00 H new ATOM 0 HH22 ARG A 70 -0.528 -2.871 18.026 1.00 25.00 H new ATOM 1126 N GLY A 71 6.054 -5.417 10.861 1.00 2.44 N ATOM 1127 CA GLY A 71 7.470 -5.212 11.108 1.00 54.12 C ATOM 1128 C GLY A 71 7.882 -3.762 10.949 1.00 10.12 C ATOM 1129 O GLY A 71 9.069 -3.437 10.991 1.00 22.41 O ATOM 0 H GLY A 71 5.822 -5.710 9.912 1.00 2.44 H new ATOM 0 HA2 GLY A 71 7.712 -5.547 12.117 1.00 54.12 H new ATOM 0 HA3 GLY A 71 8.049 -5.829 10.420 1.00 54.12 H new ATOM 1133 N THR A 72 6.899 -2.886 10.764 1.00 4.54 N ATOM 1134 CA THR A 72 7.166 -1.463 10.596 1.00 41.32 C ATOM 1135 C THR A 72 5.912 -0.634 10.849 1.00 32.44 C ATOM 1136 O THR A 72 5.728 0.427 10.255 1.00 40.23 O ATOM 1137 CB THR A 72 7.694 -1.154 9.182 1.00 4.22 C ATOM 1138 OG1 THR A 72 8.604 -2.178 8.764 1.00 34.04 O ATOM 1139 CG2 THR A 72 8.394 0.197 9.149 1.00 31.31 C ATOM 0 H THR A 72 5.911 -3.137 10.727 1.00 4.54 H new ATOM 0 HA THR A 72 7.928 -1.196 11.328 1.00 41.32 H new ATOM 0 HB THR A 72 6.844 -1.123 8.500 1.00 4.22 H new ATOM 0 HG1 THR A 72 9.142 -2.470 9.529 1.00 34.04 H new ATOM 0 HG21 THR A 72 8.758 0.393 8.141 1.00 31.31 H new ATOM 0 HG22 THR A 72 7.691 0.978 9.440 1.00 31.31 H new ATOM 0 HG23 THR A 72 9.234 0.188 9.843 1.00 31.31 H new ATOM 1147 N GLN A 73 5.053 -1.126 11.736 1.00 34.41 N ATOM 1148 CA GLN A 73 3.815 -0.430 12.068 1.00 61.23 C ATOM 1149 C GLN A 73 4.086 1.033 12.400 1.00 42.52 C ATOM 1150 O GLN A 73 4.997 1.349 13.164 1.00 65.42 O ATOM 1151 CB GLN A 73 3.121 -1.113 13.248 1.00 63.14 C ATOM 1152 CG GLN A 73 4.068 -1.489 14.376 1.00 44.22 C ATOM 1153 CD GLN A 73 3.410 -1.416 15.739 1.00 11.43 C ATOM 1154 OE1 GLN A 73 2.493 -0.623 15.957 1.00 73.32 O ATOM 1155 NE2 GLN A 73 3.875 -2.244 16.667 1.00 3.20 N ATOM 0 H GLN A 73 5.191 -2.003 12.237 1.00 34.41 H new ATOM 0 HA GLN A 73 3.160 -0.471 11.198 1.00 61.23 H new ATOM 0 HB2 GLN A 73 2.349 -0.450 13.639 1.00 63.14 H new ATOM 0 HB3 GLN A 73 2.618 -2.012 12.892 1.00 63.14 H new ATOM 0 HG2 GLN A 73 4.441 -2.500 14.210 1.00 44.22 H new ATOM 0 HG3 GLN A 73 4.931 -0.824 14.357 1.00 44.22 H new ATOM 0 HE21 GLN A 73 4.636 -2.885 16.443 1.00 3.20 H new ATOM 0 HE22 GLN A 73 3.471 -2.239 17.604 1.00 3.20 H new ATOM 1164 N GLY A 74 3.288 1.925 11.819 1.00 21.34 N ATOM 1165 CA GLY A 74 3.459 3.345 12.066 1.00 73.32 C ATOM 1166 C GLY A 74 4.426 3.990 11.093 1.00 20.22 C ATOM 1167 O GLY A 74 4.016 4.731 10.201 1.00 40.02 O ATOM 0 H GLY A 74 2.527 1.689 11.182 1.00 21.34 H new ATOM 0 HA2 GLY A 74 2.492 3.842 11.995 1.00 73.32 H new ATOM 0 HA3 GLY A 74 3.820 3.493 13.084 1.00 73.32 H new ATOM 1171 N GLU A 75 5.714 3.708 11.267 1.00 14.41 N ATOM 1172 CA GLU A 75 6.742 4.269 10.398 1.00 15.42 C ATOM 1173 C GLU A 75 6.482 3.902 8.940 1.00 34.52 C ATOM 1174 O GLU A 75 6.891 4.616 8.026 1.00 2.52 O ATOM 1175 CB GLU A 75 8.125 3.773 10.822 1.00 65.01 C ATOM 1176 CG GLU A 75 8.677 4.482 12.048 1.00 63.45 C ATOM 1177 CD GLU A 75 9.262 3.520 13.064 1.00 73.32 C ATOM 1178 OE1 GLU A 75 8.495 3.012 13.908 1.00 35.33 O ATOM 1179 OE2 GLU A 75 10.485 3.275 13.015 1.00 42.20 O ATOM 0 H GLU A 75 6.070 3.095 12.001 1.00 14.41 H new ATOM 0 HA GLU A 75 6.709 5.354 10.492 1.00 15.42 H new ATOM 0 HB2 GLU A 75 8.072 2.703 11.025 1.00 65.01 H new ATOM 0 HB3 GLU A 75 8.819 3.906 9.992 1.00 65.01 H new ATOM 0 HG2 GLU A 75 9.446 5.190 11.738 1.00 63.45 H new ATOM 0 HG3 GLU A 75 7.882 5.061 12.517 1.00 63.45 H new ATOM 1186 N ALA A 76 5.798 2.781 8.732 1.00 64.24 N ATOM 1187 CA ALA A 76 5.482 2.318 7.386 1.00 3.11 C ATOM 1188 C ALA A 76 4.404 3.186 6.746 1.00 0.02 C ATOM 1189 O ALA A 76 4.066 3.010 5.576 1.00 75.43 O ATOM 1190 CB ALA A 76 5.040 0.863 7.419 1.00 64.53 C ATOM 0 H ALA A 76 5.452 2.177 9.478 1.00 64.24 H new ATOM 0 HA ALA A 76 6.384 2.399 6.779 1.00 3.11 H new ATOM 0 HB1 ALA A 76 4.807 0.530 6.407 1.00 64.53 H new ATOM 0 HB2 ALA A 76 5.842 0.248 7.828 1.00 64.53 H new ATOM 0 HB3 ALA A 76 4.153 0.766 8.046 1.00 64.53 H new ATOM 1196 N ARG A 77 3.868 4.123 7.521 1.00 33.24 N ATOM 1197 CA ARG A 77 2.826 5.017 7.030 1.00 21.22 C ATOM 1198 C ARG A 77 3.435 6.227 6.327 1.00 31.35 C ATOM 1199 O ARG A 77 2.724 7.026 5.718 1.00 24.43 O ATOM 1200 CB ARG A 77 1.935 5.479 8.185 1.00 40.14 C ATOM 1201 CG ARG A 77 0.626 6.105 7.731 1.00 45.22 C ATOM 1202 CD ARG A 77 -0.148 6.688 8.903 1.00 71.04 C ATOM 1203 NE ARG A 77 -1.574 6.381 8.824 1.00 64.45 N ATOM 1204 CZ ARG A 77 -2.502 7.011 9.535 1.00 62.41 C ATOM 1205 NH1 ARG A 77 -2.156 7.978 10.374 1.00 71.45 N ATOM 1206 NH2 ARG A 77 -3.779 6.674 9.408 1.00 40.03 N ATOM 0 H ARG A 77 4.138 4.283 8.492 1.00 33.24 H new ATOM 0 HA ARG A 77 2.220 4.467 6.310 1.00 21.22 H new ATOM 0 HB2 ARG A 77 1.717 4.626 8.828 1.00 40.14 H new ATOM 0 HB3 ARG A 77 2.483 6.202 8.789 1.00 40.14 H new ATOM 0 HG2 ARG A 77 0.830 6.889 7.002 1.00 45.22 H new ATOM 0 HG3 ARG A 77 0.017 5.353 7.229 1.00 45.22 H new ATOM 0 HD2 ARG A 77 0.256 6.295 9.836 1.00 71.04 H new ATOM 0 HD3 ARG A 77 -0.011 7.769 8.926 1.00 71.04 H new ATOM 0 HE ARG A 77 -1.873 5.642 8.188 1.00 64.45 H new ATOM 0 HH11 ARG A 77 -1.175 8.239 10.474 1.00 71.45 H new ATOM 0 HH12 ARG A 77 -2.871 8.460 10.919 1.00 71.45 H new ATOM 0 HH21 ARG A 77 -4.049 5.930 8.764 1.00 40.03 H new ATOM 0 HH22 ARG A 77 -4.491 7.158 9.955 1.00 40.03 H new ATOM 1220 N ALA A 78 4.755 6.355 6.418 1.00 73.34 N ATOM 1221 CA ALA A 78 5.459 7.466 5.790 1.00 61.44 C ATOM 1222 C ALA A 78 6.788 7.008 5.197 1.00 12.42 C ATOM 1223 O ALA A 78 7.117 7.339 4.058 1.00 42.12 O ATOM 1224 CB ALA A 78 5.685 8.584 6.796 1.00 13.11 C ATOM 0 H ALA A 78 5.358 5.703 6.920 1.00 73.34 H new ATOM 0 HA ALA A 78 4.839 7.844 4.977 1.00 61.44 H new ATOM 0 HB1 ALA A 78 6.212 9.407 6.313 1.00 13.11 H new ATOM 0 HB2 ALA A 78 4.724 8.938 7.169 1.00 13.11 H new ATOM 0 HB3 ALA A 78 6.282 8.210 7.628 1.00 13.11 H new ATOM 1230 N TYR A 79 7.547 6.248 5.977 1.00 23.44 N ATOM 1231 CA TYR A 79 8.842 5.748 5.531 1.00 62.12 C ATOM 1232 C TYR A 79 8.671 4.626 4.511 1.00 1.02 C ATOM 1233 O TYR A 79 9.642 4.159 3.916 1.00 3.31 O ATOM 1234 CB TYR A 79 9.659 5.248 6.724 1.00 75.22 C ATOM 1235 CG TYR A 79 11.063 4.820 6.360 1.00 14.43 C ATOM 1236 CD1 TYR A 79 11.822 5.556 5.459 1.00 41.12 C ATOM 1237 CD2 TYR A 79 11.629 3.681 6.917 1.00 23.32 C ATOM 1238 CE1 TYR A 79 13.105 5.169 5.123 1.00 2.21 C ATOM 1239 CE2 TYR A 79 12.912 3.287 6.588 1.00 10.15 C ATOM 1240 CZ TYR A 79 13.646 4.034 5.691 1.00 52.41 C ATOM 1241 OH TYR A 79 14.923 3.645 5.360 1.00 63.13 O ATOM 0 H TYR A 79 7.288 5.964 6.922 1.00 23.44 H new ATOM 0 HA TYR A 79 9.375 6.570 5.054 1.00 62.12 H new ATOM 0 HB2 TYR A 79 9.712 6.037 7.474 1.00 75.22 H new ATOM 0 HB3 TYR A 79 9.139 4.407 7.183 1.00 75.22 H new ATOM 0 HD1 TYR A 79 11.402 6.446 5.014 1.00 41.12 H new ATOM 0 HD2 TYR A 79 11.057 3.093 7.619 1.00 23.32 H new ATOM 0 HE1 TYR A 79 13.681 5.752 4.420 1.00 2.21 H new ATOM 0 HE2 TYR A 79 13.338 2.399 7.031 1.00 10.15 H new ATOM 0 HH TYR A 79 15.153 2.827 5.848 1.00 63.13 H new ATOM 1251 N SER A 80 7.428 4.198 4.315 1.00 50.32 N ATOM 1252 CA SER A 80 7.128 3.129 3.370 1.00 53.12 C ATOM 1253 C SER A 80 7.809 3.382 2.029 1.00 43.35 C ATOM 1254 O SER A 80 8.200 2.446 1.332 1.00 21.02 O ATOM 1255 CB SER A 80 5.616 3.005 3.171 1.00 31.01 C ATOM 1256 OG SER A 80 5.299 2.747 1.814 1.00 23.02 O ATOM 0 H SER A 80 6.613 4.575 4.798 1.00 50.32 H new ATOM 0 HA SER A 80 7.511 2.196 3.782 1.00 53.12 H new ATOM 0 HB2 SER A 80 5.228 2.201 3.797 1.00 31.01 H new ATOM 0 HB3 SER A 80 5.127 3.924 3.493 1.00 31.01 H new ATOM 0 HG SER A 80 4.970 1.828 1.724 1.00 23.02 H new ATOM 1262 N MET A 81 7.948 4.655 1.673 1.00 12.54 N ATOM 1263 CA MET A 81 8.583 5.033 0.416 1.00 1.02 C ATOM 1264 C MET A 81 10.046 5.406 0.637 1.00 55.43 C ATOM 1265 O MET A 81 10.390 6.049 1.629 1.00 24.40 O ATOM 1266 CB MET A 81 7.837 6.204 -0.226 1.00 13.25 C ATOM 1267 CG MET A 81 6.327 6.028 -0.239 1.00 51.43 C ATOM 1268 SD MET A 81 5.493 7.094 0.952 1.00 33.34 S ATOM 1269 CE MET A 81 3.818 7.065 0.318 1.00 71.11 C ATOM 0 H MET A 81 7.629 5.442 2.238 1.00 12.54 H new ATOM 0 HA MET A 81 8.542 4.175 -0.255 1.00 1.02 H new ATOM 0 HB2 MET A 81 8.083 7.120 0.311 1.00 13.25 H new ATOM 0 HB3 MET A 81 8.189 6.331 -1.250 1.00 13.25 H new ATOM 0 HG2 MET A 81 5.949 6.241 -1.239 1.00 51.43 H new ATOM 0 HG3 MET A 81 6.085 4.988 -0.022 1.00 51.43 H new ATOM 0 HE1 MET A 81 3.114 7.153 1.146 1.00 71.11 H new ATOM 0 HE2 MET A 81 3.675 7.898 -0.370 1.00 71.11 H new ATOM 0 HE3 MET A 81 3.644 6.126 -0.208 1.00 71.11 H new ATOM 1279 N LYS A 82 10.902 5.000 -0.294 1.00 61.02 N ATOM 1280 CA LYS A 82 12.328 5.292 -0.203 1.00 13.22 C ATOM 1281 C LYS A 82 12.649 6.641 -0.840 1.00 34.44 C ATOM 1282 O LYS A 82 12.332 6.877 -2.005 1.00 2.11 O ATOM 1283 CB LYS A 82 13.140 4.188 -0.883 1.00 42.45 C ATOM 1284 CG LYS A 82 13.474 3.025 0.034 1.00 5.23 C ATOM 1285 CD LYS A 82 13.542 1.714 -0.730 1.00 31.41 C ATOM 1286 CE LYS A 82 14.582 0.776 -0.137 1.00 24.12 C ATOM 1287 NZ LYS A 82 14.056 0.039 1.045 1.00 14.34 N ATOM 0 H LYS A 82 10.633 4.467 -1.121 1.00 61.02 H new ATOM 0 HA LYS A 82 12.598 5.335 0.852 1.00 13.22 H new ATOM 0 HB2 LYS A 82 12.581 3.814 -1.741 1.00 42.45 H new ATOM 0 HB3 LYS A 82 14.067 4.614 -1.267 1.00 42.45 H new ATOM 0 HG2 LYS A 82 14.429 3.211 0.525 1.00 5.23 H new ATOM 0 HG3 LYS A 82 12.721 2.951 0.819 1.00 5.23 H new ATOM 0 HD2 LYS A 82 12.565 1.232 -0.714 1.00 31.41 H new ATOM 0 HD3 LYS A 82 13.783 1.912 -1.774 1.00 31.41 H new ATOM 0 HE2 LYS A 82 14.902 0.063 -0.896 1.00 24.12 H new ATOM 0 HE3 LYS A 82 15.463 1.348 0.155 1.00 24.12 H new ATOM 0 HZ1 LYS A 82 14.795 -0.589 1.420 1.00 14.34 H new ATOM 0 HZ2 LYS A 82 13.774 0.718 1.780 1.00 14.34 H new ATOM 0 HZ3 LYS A 82 13.231 -0.527 0.762 1.00 14.34 H new ATOM 1301 N GLU A 83 13.280 7.520 -0.067 1.00 75.33 N ATOM 1302 CA GLU A 83 13.643 8.844 -0.558 1.00 24.30 C ATOM 1303 C GLU A 83 14.644 8.743 -1.706 1.00 32.42 C ATOM 1304 O GLU A 83 14.586 9.514 -2.663 1.00 43.33 O ATOM 1305 CB GLU A 83 14.233 9.687 0.574 1.00 1.32 C ATOM 1306 CG GLU A 83 13.188 10.240 1.529 1.00 44.31 C ATOM 1307 CD GLU A 83 13.778 10.653 2.864 1.00 60.14 C ATOM 1308 OE1 GLU A 83 14.976 11.003 2.901 1.00 60.30 O ATOM 1309 OE2 GLU A 83 13.040 10.626 3.871 1.00 23.11 O ATOM 0 H GLU A 83 13.550 7.339 0.900 1.00 75.33 H new ATOM 0 HA GLU A 83 12.739 9.327 -0.928 1.00 24.30 H new ATOM 0 HB2 GLU A 83 14.942 9.080 1.137 1.00 1.32 H new ATOM 0 HB3 GLU A 83 14.795 10.516 0.144 1.00 1.32 H new ATOM 0 HG2 GLU A 83 12.700 11.100 1.070 1.00 44.31 H new ATOM 0 HG3 GLU A 83 12.417 9.487 1.694 1.00 44.31 H new ATOM 1316 N ASP A 84 15.560 7.786 -1.602 1.00 10.35 N ATOM 1317 CA ASP A 84 16.573 7.583 -2.630 1.00 65.12 C ATOM 1318 C ASP A 84 15.926 7.315 -3.985 1.00 42.14 C ATOM 1319 O ASP A 84 16.540 7.527 -5.032 1.00 14.20 O ATOM 1320 CB ASP A 84 17.490 6.419 -2.250 1.00 41.11 C ATOM 1321 CG ASP A 84 18.932 6.663 -2.650 1.00 10.31 C ATOM 1322 OD1 ASP A 84 19.160 7.166 -3.770 1.00 44.41 O ATOM 1323 OD2 ASP A 84 19.832 6.352 -1.842 1.00 50.24 O ATOM 0 H ASP A 84 15.621 7.139 -0.816 1.00 10.35 H new ATOM 0 HA ASP A 84 17.167 8.494 -2.705 1.00 65.12 H new ATOM 0 HB2 ASP A 84 17.437 6.255 -1.174 1.00 41.11 H new ATOM 0 HB3 ASP A 84 17.132 5.507 -2.729 1.00 41.11 H new ATOM 1328 N THR A 85 14.682 6.846 -3.959 1.00 43.53 N ATOM 1329 CA THR A 85 13.952 6.547 -5.185 1.00 3.43 C ATOM 1330 C THR A 85 12.730 7.446 -5.330 1.00 15.05 C ATOM 1331 O THR A 85 11.905 7.249 -6.223 1.00 4.53 O ATOM 1332 CB THR A 85 13.501 5.075 -5.225 1.00 0.23 C ATOM 1333 OG1 THR A 85 12.985 4.686 -3.947 1.00 0.11 O ATOM 1334 CG2 THR A 85 14.658 4.165 -5.609 1.00 33.23 C ATOM 0 H THR A 85 14.159 6.665 -3.102 1.00 43.53 H new ATOM 0 HA THR A 85 14.636 6.732 -6.014 1.00 3.43 H new ATOM 0 HB THR A 85 12.718 4.978 -5.977 1.00 0.23 H new ATOM 0 HG1 THR A 85 12.282 4.014 -4.069 1.00 0.11 H new ATOM 0 HG21 THR A 85 14.315 3.130 -5.631 1.00 33.23 H new ATOM 0 HG22 THR A 85 15.029 4.445 -6.595 1.00 33.23 H new ATOM 0 HG23 THR A 85 15.459 4.267 -4.877 1.00 33.23 H new ATOM 1342 N ARG A 86 12.618 8.433 -4.446 1.00 62.23 N ATOM 1343 CA ARG A 86 11.495 9.362 -4.476 1.00 71.32 C ATOM 1344 C ARG A 86 11.304 9.939 -5.876 1.00 0.24 C ATOM 1345 O ARG A 86 12.206 10.573 -6.426 1.00 32.22 O ATOM 1346 CB ARG A 86 11.715 10.494 -3.471 1.00 61.03 C ATOM 1347 CG ARG A 86 10.433 10.991 -2.823 1.00 62.11 C ATOM 1348 CD ARG A 86 10.470 10.819 -1.313 1.00 35.53 C ATOM 1349 NE ARG A 86 9.702 11.853 -0.625 1.00 53.21 N ATOM 1350 CZ ARG A 86 8.378 11.949 -0.686 1.00 22.32 C ATOM 1351 NH1 ARG A 86 7.679 11.076 -1.399 1.00 3.14 N ATOM 1352 NH2 ARG A 86 7.751 12.918 -0.032 1.00 40.32 N ATOM 0 H ARG A 86 13.291 8.609 -3.701 1.00 62.23 H new ATOM 0 HA ARG A 86 10.594 8.813 -4.202 1.00 71.32 H new ATOM 0 HB2 ARG A 86 12.396 10.150 -2.692 1.00 61.03 H new ATOM 0 HB3 ARG A 86 12.203 11.327 -3.976 1.00 61.03 H new ATOM 0 HG2 ARG A 86 10.285 12.043 -3.067 1.00 62.11 H new ATOM 0 HG3 ARG A 86 9.582 10.446 -3.232 1.00 62.11 H new ATOM 0 HD2 ARG A 86 10.074 9.838 -1.050 1.00 35.53 H new ATOM 0 HD3 ARG A 86 11.504 10.847 -0.970 1.00 35.53 H new ATOM 0 HE ARG A 86 10.210 12.539 -0.067 1.00 53.21 H new ATOM 0 HH11 ARG A 86 8.158 10.329 -1.902 1.00 3.14 H new ATOM 0 HH12 ARG A 86 6.663 11.152 -1.444 1.00 3.14 H new ATOM 0 HH21 ARG A 86 8.285 13.590 0.518 1.00 40.32 H new ATOM 0 HH22 ARG A 86 6.735 12.991 -0.080 1.00 40.32 H new ATOM 1366 N LEU A 87 10.125 9.716 -6.446 1.00 64.02 N ATOM 1367 CA LEU A 87 9.816 10.213 -7.782 1.00 53.42 C ATOM 1368 C LEU A 87 8.563 11.083 -7.762 1.00 52.35 C ATOM 1369 O LEU A 87 8.608 12.261 -8.117 1.00 61.42 O ATOM 1370 CB LEU A 87 9.624 9.045 -8.751 1.00 41.31 C ATOM 1371 CG LEU A 87 10.639 8.944 -9.890 1.00 5.51 C ATOM 1372 CD1 LEU A 87 10.270 7.813 -10.836 1.00 73.21 C ATOM 1373 CD2 LEU A 87 10.729 10.264 -10.643 1.00 21.21 C ATOM 0 H LEU A 87 9.368 9.195 -6.004 1.00 64.02 H new ATOM 0 HA LEU A 87 10.655 10.822 -8.119 1.00 53.42 H new ATOM 0 HB2 LEU A 87 9.655 8.117 -8.180 1.00 41.31 H new ATOM 0 HB3 LEU A 87 8.627 9.119 -9.185 1.00 41.31 H new ATOM 0 HG LEU A 87 11.617 8.726 -9.461 1.00 5.51 H new ATOM 0 HD11 LEU A 87 11.004 7.757 -11.640 1.00 73.21 H new ATOM 0 HD12 LEU A 87 10.258 6.870 -10.289 1.00 73.21 H new ATOM 0 HD13 LEU A 87 9.283 8.000 -11.259 1.00 73.21 H new ATOM 0 HD21 LEU A 87 11.456 10.174 -11.450 1.00 21.21 H new ATOM 0 HD22 LEU A 87 9.753 10.512 -11.060 1.00 21.21 H new ATOM 0 HD23 LEU A 87 11.042 11.053 -9.959 1.00 21.21 H new ATOM 1385 N GLU A 88 7.447 10.495 -7.343 1.00 53.14 N ATOM 1386 CA GLU A 88 6.182 11.218 -7.276 1.00 61.10 C ATOM 1387 C GLU A 88 5.480 10.963 -5.945 1.00 41.33 C ATOM 1388 O GLU A 88 5.935 10.157 -5.135 1.00 44.21 O ATOM 1389 CB GLU A 88 5.271 10.805 -8.433 1.00 75.54 C ATOM 1390 CG GLU A 88 4.650 11.980 -9.170 1.00 4.13 C ATOM 1391 CD GLU A 88 5.677 12.803 -9.924 1.00 73.11 C ATOM 1392 OE1 GLU A 88 6.271 13.715 -9.312 1.00 53.40 O ATOM 1393 OE2 GLU A 88 5.886 12.535 -11.126 1.00 13.14 O ATOM 0 H GLU A 88 7.393 9.521 -7.045 1.00 53.14 H new ATOM 0 HA GLU A 88 6.397 12.284 -7.356 1.00 61.10 H new ATOM 0 HB2 GLU A 88 5.845 10.206 -9.140 1.00 75.54 H new ATOM 0 HB3 GLU A 88 4.475 10.167 -8.048 1.00 75.54 H new ATOM 0 HG2 GLU A 88 3.901 11.610 -9.870 1.00 4.13 H new ATOM 0 HG3 GLU A 88 4.131 12.619 -8.456 1.00 4.13 H new ATOM 1400 N GLY A 89 4.368 11.658 -5.727 1.00 55.11 N ATOM 1401 CA GLY A 89 3.620 11.494 -4.494 1.00 5.33 C ATOM 1402 C GLY A 89 4.071 12.455 -3.411 1.00 23.50 C ATOM 1403 O GLY A 89 4.844 13.381 -3.656 1.00 0.23 O ATOM 0 H GLY A 89 3.972 12.332 -6.382 1.00 55.11 H new ATOM 0 HA2 GLY A 89 2.559 11.647 -4.693 1.00 5.33 H new ATOM 0 HA3 GLY A 89 3.733 10.470 -4.137 1.00 5.33 H new ATOM 1407 N PRO A 90 3.582 12.238 -2.181 1.00 55.02 N ATOM 1408 CA PRO A 90 2.660 11.139 -1.878 1.00 64.32 C ATOM 1409 C PRO A 90 1.282 11.350 -2.496 1.00 65.12 C ATOM 1410 O PRO A 90 0.981 12.427 -3.010 1.00 10.32 O ATOM 1411 CB PRO A 90 2.570 11.162 -0.350 1.00 45.13 C ATOM 1412 CG PRO A 90 2.894 12.567 0.027 1.00 71.44 C ATOM 1413 CD PRO A 90 3.889 13.050 -0.992 1.00 11.11 C ATOM 0 HA PRO A 90 3.011 10.190 -2.284 1.00 64.32 H new ATOM 0 HB2 PRO A 90 1.574 10.880 -0.008 1.00 45.13 H new ATOM 0 HB3 PRO A 90 3.272 10.460 0.099 1.00 45.13 H new ATOM 0 HG2 PRO A 90 1.999 13.188 0.023 1.00 71.44 H new ATOM 0 HG3 PRO A 90 3.311 12.615 1.033 1.00 71.44 H new ATOM 0 HD2 PRO A 90 3.774 14.115 -1.192 1.00 11.11 H new ATOM 0 HD3 PRO A 90 4.915 12.898 -0.656 1.00 11.11 H new ATOM 1421 N TRP A 91 0.451 10.316 -2.443 1.00 13.13 N ATOM 1422 CA TRP A 91 -0.896 10.390 -2.997 1.00 73.54 C ATOM 1423 C TRP A 91 -1.900 9.694 -2.085 1.00 23.55 C ATOM 1424 O TRP A 91 -1.670 8.570 -1.638 1.00 4.42 O ATOM 1425 CB TRP A 91 -0.932 9.758 -4.390 1.00 65.01 C ATOM 1426 CG TRP A 91 -0.308 10.617 -5.448 1.00 12.40 C ATOM 1427 CD1 TRP A 91 -0.376 11.978 -5.544 1.00 13.01 C ATOM 1428 CD2 TRP A 91 0.476 10.174 -6.561 1.00 21.55 C ATOM 1429 NE1 TRP A 91 0.318 12.407 -6.649 1.00 63.33 N ATOM 1430 CE2 TRP A 91 0.851 11.319 -7.289 1.00 43.22 C ATOM 1431 CE3 TRP A 91 0.900 8.920 -7.011 1.00 14.30 C ATOM 1432 CZ2 TRP A 91 1.628 11.246 -8.443 1.00 12.14 C ATOM 1433 CZ3 TRP A 91 1.670 8.850 -8.156 1.00 71.50 C ATOM 1434 CH2 TRP A 91 2.028 10.006 -8.861 1.00 4.31 C ATOM 0 H TRP A 91 0.686 9.417 -2.022 1.00 13.13 H new ATOM 0 HA TRP A 91 -1.172 11.442 -3.074 1.00 73.54 H new ATOM 0 HB2 TRP A 91 -0.415 8.799 -4.359 1.00 65.01 H new ATOM 0 HB3 TRP A 91 -1.968 9.554 -4.662 1.00 65.01 H new ATOM 0 HD1 TRP A 91 -0.899 12.622 -4.853 1.00 13.01 H new ATOM 0 HE1 TRP A 91 0.420 13.378 -6.945 1.00 63.33 H new ATOM 0 HE3 TRP A 91 0.631 8.023 -6.474 1.00 14.30 H new ATOM 0 HZ2 TRP A 91 1.905 12.136 -8.988 1.00 12.14 H new ATOM 0 HZ3 TRP A 91 2.002 7.887 -8.514 1.00 71.50 H new ATOM 0 HH2 TRP A 91 2.632 9.917 -9.752 1.00 4.31 H new ATOM 1445 N GLU A 92 -3.012 10.368 -1.812 1.00 75.10 N ATOM 1446 CA GLU A 92 -4.050 9.812 -0.951 1.00 51.33 C ATOM 1447 C GLU A 92 -5.363 9.655 -1.713 1.00 63.15 C ATOM 1448 O GLU A 92 -5.758 10.534 -2.480 1.00 5.24 O ATOM 1449 CB GLU A 92 -4.262 10.707 0.272 1.00 71.30 C ATOM 1450 CG GLU A 92 -3.154 10.597 1.306 1.00 60.42 C ATOM 1451 CD GLU A 92 -2.917 11.898 2.048 1.00 71.41 C ATOM 1452 OE1 GLU A 92 -3.870 12.696 2.165 1.00 3.32 O ATOM 1453 OE2 GLU A 92 -1.778 12.117 2.512 1.00 73.55 O ATOM 0 H GLU A 92 -3.218 11.299 -2.174 1.00 75.10 H new ATOM 0 HA GLU A 92 -3.722 8.827 -0.620 1.00 51.33 H new ATOM 0 HB2 GLU A 92 -4.340 11.744 -0.056 1.00 71.30 H new ATOM 0 HB3 GLU A 92 -5.212 10.449 0.741 1.00 71.30 H new ATOM 0 HG2 GLU A 92 -3.407 9.815 2.022 1.00 60.42 H new ATOM 0 HG3 GLU A 92 -2.231 10.291 0.813 1.00 60.42 H new ATOM 1460 N TYR A 93 -6.034 8.529 -1.498 1.00 65.10 N ATOM 1461 CA TYR A 93 -7.300 8.254 -2.166 1.00 61.13 C ATOM 1462 C TYR A 93 -8.277 7.564 -1.219 1.00 61.44 C ATOM 1463 O TYR A 93 -7.882 7.024 -0.187 1.00 31.31 O ATOM 1464 CB TYR A 93 -7.070 7.383 -3.403 1.00 4.41 C ATOM 1465 CG TYR A 93 -6.408 8.119 -4.546 1.00 64.32 C ATOM 1466 CD1 TYR A 93 -7.147 8.933 -5.395 1.00 11.31 C ATOM 1467 CD2 TYR A 93 -5.043 7.998 -4.778 1.00 51.44 C ATOM 1468 CE1 TYR A 93 -6.547 9.607 -6.441 1.00 62.43 C ATOM 1469 CE2 TYR A 93 -4.434 8.669 -5.821 1.00 51.03 C ATOM 1470 CZ TYR A 93 -5.190 9.472 -6.650 1.00 71.40 C ATOM 1471 OH TYR A 93 -4.587 10.140 -7.691 1.00 14.21 O ATOM 0 H TYR A 93 -5.722 7.792 -0.866 1.00 65.10 H new ATOM 0 HA TYR A 93 -7.732 9.206 -2.475 1.00 61.13 H new ATOM 0 HB2 TYR A 93 -6.453 6.528 -3.126 1.00 4.41 H new ATOM 0 HB3 TYR A 93 -8.028 6.988 -3.742 1.00 4.41 H new ATOM 0 HD1 TYR A 93 -8.210 9.041 -5.234 1.00 11.31 H new ATOM 0 HD2 TYR A 93 -4.448 7.369 -4.132 1.00 51.44 H new ATOM 0 HE1 TYR A 93 -7.137 10.236 -7.091 1.00 62.43 H new ATOM 0 HE2 TYR A 93 -3.372 8.565 -5.986 1.00 51.03 H new ATOM 0 HH TYR A 93 -3.628 9.938 -7.698 1.00 14.21 H new ATOM 1481 N GLY A 94 -9.556 7.585 -1.581 1.00 14.34 N ATOM 1482 CA GLY A 94 -10.571 6.958 -0.754 1.00 52.31 C ATOM 1483 C GLY A 94 -11.101 7.889 0.319 1.00 72.41 C ATOM 1484 O GLY A 94 -11.152 9.103 0.126 1.00 31.21 O ATOM 0 H GLY A 94 -9.907 8.025 -2.432 1.00 14.34 H new ATOM 0 HA2 GLY A 94 -11.397 6.628 -1.385 1.00 52.31 H new ATOM 0 HA3 GLY A 94 -10.153 6.067 -0.284 1.00 52.31 H new ATOM 1488 N GLU A 95 -11.498 7.318 1.452 1.00 72.41 N ATOM 1489 CA GLU A 95 -12.029 8.105 2.558 1.00 15.12 C ATOM 1490 C GLU A 95 -10.979 9.078 3.087 1.00 34.32 C ATOM 1491 O GLU A 95 -11.287 10.226 3.406 1.00 34.53 O ATOM 1492 CB GLU A 95 -12.504 7.186 3.686 1.00 4.20 C ATOM 1493 CG GLU A 95 -12.864 7.926 4.963 1.00 3.23 C ATOM 1494 CD GLU A 95 -11.934 7.592 6.113 1.00 22.54 C ATOM 1495 OE1 GLU A 95 -11.574 6.404 6.258 1.00 12.34 O ATOM 1496 OE2 GLU A 95 -11.566 8.516 6.868 1.00 31.32 O ATOM 0 H GLU A 95 -11.462 6.314 1.628 1.00 72.41 H new ATOM 0 HA GLU A 95 -12.877 8.680 2.187 1.00 15.12 H new ATOM 0 HB2 GLU A 95 -13.373 6.625 3.344 1.00 4.20 H new ATOM 0 HB3 GLU A 95 -11.721 6.460 3.905 1.00 4.20 H new ATOM 0 HG2 GLU A 95 -12.834 9.000 4.777 1.00 3.23 H new ATOM 0 HG3 GLU A 95 -13.888 7.679 5.245 1.00 3.23 H new