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 31 GLN : amide:sc= -4.91 K(o=-12,f=-10!) USER MOD Set 1.2: A 80 SER OG : rot 140:sc= -0.332 USER MOD Set 1.3: A 81 MET CE :methyl -162:sc= -6.82! (180deg=-6.75!) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.42 USER MOD Set 2.2: A 43 GLN : amide:sc= -1.22 K(o=-1.6,f=2) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -8.03! C(o=-20!,f=-21!) USER MOD Set 3.2: A 24 SER OG : rot -170:sc= -0.461 USER MOD Set 3.3: A 25 MET CE :methyl -151:sc= -4.58! (180deg=-6.18!) USER MOD Set 3.4: A 48 MET CE :methyl -109:sc= -3.04 (180deg=-0.585) USER MOD Set 3.5: A 57 MET CE :methyl -116:sc= -3.48! (180deg=-6.21!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 7 CYS SG : rot -131:sc= -0.327 USER MOD Single : A 9 CYS SG : rot -9:sc= 0.391 USER MOD Single : A 13 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.018) USER MOD Single : A 14 ASN : amide:sc= -0.0175 K(o=-0.018,f=-2.1!) 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 144:sc= -1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 118:sc= 0.231 USER MOD Single : A 34 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 39 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 41 HIS : no HE2:sc= -2.85 K(o=-2.9,f=-4.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.163 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= -0.708 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0722 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= -0.0977 X(o=-0.098,f=-0.013) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 73 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.3) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.484 -0.952 17.640 1.00 11.34 N ATOM 12 CA ARG A 3 -10.037 -1.109 17.553 1.00 53.13 C ATOM 13 C ARG A 3 -9.534 -0.739 16.161 1.00 44.42 C ATOM 14 O ARG A 3 -10.200 -1.000 15.160 1.00 53.21 O ATOM 15 CB ARG A 3 -9.638 -2.548 17.885 1.00 12.21 C ATOM 16 CG ARG A 3 -8.461 -2.648 18.841 1.00 10.14 C ATOM 17 CD ARG A 3 -8.910 -2.544 20.291 1.00 51.35 C ATOM 18 NE ARG A 3 -7.813 -2.791 21.223 1.00 51.45 N ATOM 19 CZ ARG A 3 -6.909 -1.875 21.552 1.00 64.31 C ATOM 20 NH1 ARG A 3 -6.970 -0.659 21.028 1.00 13.11 N ATOM 21 NH2 ARG A 3 -5.940 -2.176 22.407 1.00 1.15 N ATOM 0 HA ARG A 3 -9.579 -0.436 18.278 1.00 53.13 H new ATOM 0 HB2 ARG A 3 -10.494 -3.062 18.321 1.00 12.21 H new ATOM 0 HB3 ARG A 3 -9.390 -3.070 16.961 1.00 12.21 H new ATOM 0 HG2 ARG A 3 -7.945 -3.595 18.686 1.00 10.14 H new ATOM 0 HG3 ARG A 3 -7.745 -1.855 18.623 1.00 10.14 H new ATOM 0 HD2 ARG A 3 -9.323 -1.552 20.472 1.00 51.35 H new ATOM 0 HD3 ARG A 3 -9.710 -3.261 20.475 1.00 51.35 H new ATOM 0 HE ARG A 3 -7.737 -3.717 21.644 1.00 51.45 H new ATOM 0 HH11 ARG A 3 -7.713 -0.424 20.370 1.00 13.11 H new ATOM 0 HH12 ARG A 3 -6.274 0.042 21.283 1.00 13.11 H new ATOM 0 HH21 ARG A 3 -5.889 -3.111 22.812 1.00 1.15 H new ATOM 0 HH22 ARG A 3 -5.246 -1.473 22.659 1.00 1.15 H new ATOM 35 N GLN A 4 -8.354 -0.129 16.107 1.00 63.01 N ATOM 36 CA GLN A 4 -7.762 0.278 14.838 1.00 60.11 C ATOM 37 C GLN A 4 -7.033 -0.888 14.178 1.00 20.24 C ATOM 38 O GLN A 4 -6.629 -1.839 14.847 1.00 31.54 O ATOM 39 CB GLN A 4 -6.795 1.444 15.052 1.00 30.44 C ATOM 40 CG GLN A 4 -7.214 2.720 14.342 1.00 52.41 C ATOM 41 CD GLN A 4 -6.062 3.687 14.150 1.00 31.22 C ATOM 42 OE1 GLN A 4 -5.085 3.379 13.467 1.00 73.43 O ATOM 43 NE2 GLN A 4 -6.170 4.865 14.754 1.00 32.40 N ATOM 0 H GLN A 4 -7.790 0.094 16.927 1.00 63.01 H new ATOM 0 HA GLN A 4 -8.567 0.600 14.178 1.00 60.11 H new ATOM 0 HB2 GLN A 4 -6.710 1.644 16.120 1.00 30.44 H new ATOM 0 HB3 GLN A 4 -5.804 1.152 14.703 1.00 30.44 H new ATOM 0 HG2 GLN A 4 -7.637 2.468 13.370 1.00 52.41 H new ATOM 0 HG3 GLN A 4 -8.002 3.209 14.916 1.00 52.41 H new ATOM 0 HE21 GLN A 4 -6.998 5.079 15.311 1.00 32.40 H new ATOM 0 HE22 GLN A 4 -5.425 5.556 14.661 1.00 32.40 H new ATOM 52 N VAL A 5 -6.868 -0.808 12.862 1.00 71.22 N ATOM 53 CA VAL A 5 -6.187 -1.857 12.112 1.00 51.54 C ATOM 54 C VAL A 5 -4.847 -1.366 11.576 1.00 63.55 C ATOM 55 O VAL A 5 -4.627 -0.164 11.430 1.00 55.42 O ATOM 56 CB VAL A 5 -7.047 -2.354 10.935 1.00 54.33 C ATOM 57 CG1 VAL A 5 -8.382 -2.884 11.435 1.00 30.44 C ATOM 58 CG2 VAL A 5 -7.254 -1.240 9.919 1.00 73.31 C ATOM 0 H VAL A 5 -7.196 -0.028 12.293 1.00 71.22 H new ATOM 0 HA VAL A 5 -6.019 -2.683 12.803 1.00 51.54 H new ATOM 0 HB VAL A 5 -6.520 -3.171 10.443 1.00 54.33 H new ATOM 0 HG11 VAL A 5 -8.976 -3.231 10.589 1.00 30.44 H new ATOM 0 HG12 VAL A 5 -8.210 -3.713 12.122 1.00 30.44 H new ATOM 0 HG13 VAL A 5 -8.918 -2.089 11.953 1.00 30.44 H new ATOM 0 HG21 VAL A 5 -7.864 -1.609 9.094 1.00 73.31 H new ATOM 0 HG22 VAL A 5 -7.759 -0.401 10.397 1.00 73.31 H new ATOM 0 HG23 VAL A 5 -6.287 -0.912 9.537 1.00 73.31 H new ATOM 68 N ILE A 6 -3.953 -2.306 11.283 1.00 15.24 N ATOM 69 CA ILE A 6 -2.635 -1.969 10.762 1.00 63.44 C ATOM 70 C ILE A 6 -2.659 -1.851 9.241 1.00 22.15 C ATOM 71 O ILE A 6 -3.464 -2.499 8.571 1.00 42.40 O ATOM 72 CB ILE A 6 -1.584 -3.020 11.167 1.00 71.00 C ATOM 73 CG1 ILE A 6 -1.682 -3.320 12.664 1.00 33.11 C ATOM 74 CG2 ILE A 6 -0.187 -2.537 10.809 1.00 64.25 C ATOM 75 CD1 ILE A 6 -2.613 -4.467 12.991 1.00 62.13 C ATOM 0 H ILE A 6 -4.118 -3.306 11.398 1.00 15.24 H new ATOM 0 HA ILE A 6 -2.361 -1.007 11.195 1.00 63.44 H new ATOM 0 HB ILE A 6 -1.781 -3.940 10.617 1.00 71.00 H new ATOM 0 HG12 ILE A 6 -0.687 -3.550 13.046 1.00 33.11 H new ATOM 0 HG13 ILE A 6 -2.024 -2.425 13.184 1.00 33.11 H new ATOM 0 HG21 ILE A 6 0.544 -3.290 11.101 1.00 64.25 H new ATOM 0 HG22 ILE A 6 -0.125 -2.369 9.734 1.00 64.25 H new ATOM 0 HG23 ILE A 6 0.022 -1.605 11.335 1.00 64.25 H new ATOM 0 HD11 ILE A 6 -2.633 -4.623 14.070 1.00 62.13 H new ATOM 0 HD12 ILE A 6 -3.618 -4.232 12.640 1.00 62.13 H new ATOM 0 HD13 ILE A 6 -2.260 -5.374 12.500 1.00 62.13 H new ATOM 87 N CYS A 7 -1.771 -1.022 8.704 1.00 21.12 N ATOM 88 CA CYS A 7 -1.689 -0.819 7.262 1.00 20.40 C ATOM 89 C CYS A 7 -0.969 -1.984 6.589 1.00 13.33 C ATOM 90 O CYS A 7 -0.217 -2.716 7.232 1.00 0.12 O ATOM 91 CB CYS A 7 -0.966 0.492 6.951 1.00 64.44 C ATOM 92 SG CYS A 7 -1.396 1.854 8.059 1.00 30.42 S ATOM 0 H CYS A 7 -1.098 -0.480 9.245 1.00 21.12 H new ATOM 0 HA CYS A 7 -2.704 -0.767 6.869 1.00 20.40 H new ATOM 0 HB2 CYS A 7 0.109 0.322 7.002 1.00 64.44 H new ATOM 0 HB3 CYS A 7 -1.194 0.786 5.926 1.00 64.44 H new ATOM 0 HG CYS A 7 -1.679 2.911 7.358 1.00 30.42 H new ATOM 98 N TRP A 8 -1.207 -2.149 5.293 1.00 24.32 N ATOM 99 CA TRP A 8 -0.582 -3.226 4.534 1.00 70.54 C ATOM 100 C TRP A 8 0.523 -2.687 3.632 1.00 55.04 C ATOM 101 O TRP A 8 0.259 -1.927 2.699 1.00 70.33 O ATOM 102 CB TRP A 8 -1.629 -3.961 3.695 1.00 54.52 C ATOM 103 CG TRP A 8 -2.608 -4.742 4.518 1.00 70.42 C ATOM 104 CD1 TRP A 8 -3.503 -4.243 5.421 1.00 61.14 C ATOM 105 CD2 TRP A 8 -2.789 -6.163 4.515 1.00 45.35 C ATOM 106 NE1 TRP A 8 -4.229 -5.268 5.979 1.00 42.52 N ATOM 107 CE2 TRP A 8 -3.810 -6.455 5.439 1.00 13.11 C ATOM 108 CE3 TRP A 8 -2.188 -7.216 3.819 1.00 11.33 C ATOM 109 CZ2 TRP A 8 -4.242 -7.756 5.685 1.00 44.30 C ATOM 110 CZ3 TRP A 8 -2.617 -8.506 4.065 1.00 70.23 C ATOM 111 CH2 TRP A 8 -3.636 -8.767 4.990 1.00 31.33 C ATOM 0 H TRP A 8 -1.827 -1.552 4.746 1.00 24.32 H new ATOM 0 HA TRP A 8 -0.138 -3.925 5.242 1.00 70.54 H new ATOM 0 HB2 TRP A 8 -2.172 -3.236 3.088 1.00 54.52 H new ATOM 0 HB3 TRP A 8 -1.123 -4.638 3.007 1.00 54.52 H new ATOM 0 HD1 TRP A 8 -3.623 -3.197 5.661 1.00 61.14 H new ATOM 0 HE1 TRP A 8 -4.961 -5.162 6.681 1.00 42.52 H new ATOM 0 HE3 TRP A 8 -1.403 -7.025 3.102 1.00 11.33 H new ATOM 0 HZ2 TRP A 8 -5.027 -7.960 6.398 1.00 44.30 H new ATOM 0 HZ3 TRP A 8 -2.159 -9.328 3.535 1.00 70.23 H new ATOM 0 HH2 TRP A 8 -3.950 -9.787 5.158 1.00 31.33 H new ATOM 122 N CYS A 9 1.758 -3.084 3.915 1.00 42.40 N ATOM 123 CA CYS A 9 2.903 -2.639 3.129 1.00 43.43 C ATOM 124 C CYS A 9 3.206 -3.623 2.004 1.00 23.31 C ATOM 125 O CYS A 9 3.526 -4.786 2.252 1.00 23.03 O ATOM 126 CB CYS A 9 4.132 -2.476 4.025 1.00 14.31 C ATOM 127 SG CYS A 9 4.544 -3.950 4.987 1.00 11.13 S ATOM 0 H CYS A 9 1.992 -3.713 4.683 1.00 42.40 H new ATOM 0 HA CYS A 9 2.655 -1.674 2.687 1.00 43.43 H new ATOM 0 HB2 CYS A 9 4.988 -2.209 3.405 1.00 14.31 H new ATOM 0 HB3 CYS A 9 3.962 -1.644 4.709 1.00 14.31 H new ATOM 0 HG CYS A 9 3.586 -4.822 4.877 1.00 11.13 H new ATOM 133 N PHE A 10 3.102 -3.151 0.767 1.00 52.45 N ATOM 134 CA PHE A 10 3.362 -3.990 -0.397 1.00 71.21 C ATOM 135 C PHE A 10 4.177 -3.234 -1.442 1.00 61.00 C ATOM 136 O PHE A 10 4.271 -2.007 -1.405 1.00 54.42 O ATOM 137 CB PHE A 10 2.045 -4.470 -1.011 1.00 20.33 C ATOM 138 CG PHE A 10 1.469 -3.515 -2.016 1.00 14.30 C ATOM 139 CD1 PHE A 10 0.975 -2.283 -1.617 1.00 21.01 C ATOM 140 CD2 PHE A 10 1.421 -3.848 -3.360 1.00 53.20 C ATOM 141 CE1 PHE A 10 0.443 -1.402 -2.540 1.00 25.31 C ATOM 142 CE2 PHE A 10 0.891 -2.971 -4.288 1.00 14.03 C ATOM 143 CZ PHE A 10 0.402 -1.746 -3.877 1.00 63.10 C ATOM 0 H PHE A 10 2.839 -2.191 0.544 1.00 52.45 H new ATOM 0 HA PHE A 10 3.938 -4.855 -0.068 1.00 71.21 H new ATOM 0 HB2 PHE A 10 2.208 -5.435 -1.491 1.00 20.33 H new ATOM 0 HB3 PHE A 10 1.318 -4.628 -0.214 1.00 20.33 H new ATOM 0 HD1 PHE A 10 1.006 -2.008 -0.573 1.00 21.01 H new ATOM 0 HD2 PHE A 10 1.802 -4.804 -3.687 1.00 53.20 H new ATOM 0 HE1 PHE A 10 0.060 -0.446 -2.216 1.00 25.31 H new ATOM 0 HE2 PHE A 10 0.859 -3.243 -5.333 1.00 14.03 H new ATOM 0 HZ PHE A 10 -0.012 -1.059 -4.600 1.00 63.10 H new ATOM 153 N THR A 11 4.767 -3.976 -2.374 1.00 42.02 N ATOM 154 CA THR A 11 5.576 -3.378 -3.429 1.00 1.45 C ATOM 155 C THR A 11 5.182 -3.918 -4.798 1.00 75.21 C ATOM 156 O THR A 11 5.216 -5.127 -5.033 1.00 50.24 O ATOM 157 CB THR A 11 7.077 -3.636 -3.200 1.00 63.31 C ATOM 158 OG1 THR A 11 7.368 -3.628 -1.798 1.00 41.20 O ATOM 159 CG2 THR A 11 7.921 -2.585 -3.904 1.00 50.55 C ATOM 0 H THR A 11 4.700 -4.993 -2.420 1.00 42.02 H new ATOM 0 HA THR A 11 5.391 -2.304 -3.399 1.00 1.45 H new ATOM 0 HB THR A 11 7.322 -4.613 -3.616 1.00 63.31 H new ATOM 0 HG1 THR A 11 8.324 -3.794 -1.661 1.00 41.20 H new ATOM 0 HG21 THR A 11 8.977 -2.789 -3.728 1.00 50.55 H new ATOM 0 HG22 THR A 11 7.720 -2.614 -4.975 1.00 50.55 H new ATOM 0 HG23 THR A 11 7.672 -1.598 -3.515 1.00 50.55 H new ATOM 167 N LEU A 12 4.807 -3.017 -5.699 1.00 44.23 N ATOM 168 CA LEU A 12 4.407 -3.404 -7.048 1.00 11.43 C ATOM 169 C LEU A 12 5.466 -2.998 -8.068 1.00 12.12 C ATOM 170 O LEU A 12 5.764 -1.816 -8.230 1.00 42.44 O ATOM 171 CB LEU A 12 3.065 -2.762 -7.406 1.00 61.50 C ATOM 172 CG LEU A 12 2.476 -3.151 -8.763 1.00 24.23 C ATOM 173 CD1 LEU A 12 2.525 -4.659 -8.953 1.00 63.24 C ATOM 174 CD2 LEU A 12 1.048 -2.642 -8.890 1.00 42.41 C ATOM 0 H LEU A 12 4.771 -2.013 -5.520 1.00 44.23 H new ATOM 0 HA LEU A 12 4.303 -4.489 -7.073 1.00 11.43 H new ATOM 0 HB2 LEU A 12 2.343 -3.021 -6.631 1.00 61.50 H new ATOM 0 HB3 LEU A 12 3.185 -1.679 -7.381 1.00 61.50 H new ATOM 0 HG LEU A 12 3.077 -2.687 -9.545 1.00 24.23 H new ATOM 0 HD11 LEU A 12 2.102 -4.917 -9.924 1.00 63.24 H new ATOM 0 HD12 LEU A 12 3.560 -4.998 -8.906 1.00 63.24 H new ATOM 0 HD13 LEU A 12 1.948 -5.144 -8.165 1.00 63.24 H new ATOM 0 HD21 LEU A 12 0.645 -2.928 -9.862 1.00 42.41 H new ATOM 0 HD22 LEU A 12 0.435 -3.077 -8.101 1.00 42.41 H new ATOM 0 HD23 LEU A 12 1.039 -1.556 -8.799 1.00 42.41 H new ATOM 186 N ASN A 13 6.029 -3.987 -8.754 1.00 31.21 N ATOM 187 CA ASN A 13 7.054 -3.733 -9.760 1.00 54.01 C ATOM 188 C ASN A 13 6.467 -3.814 -11.166 1.00 62.33 C ATOM 189 O ASN A 13 5.708 -4.729 -11.481 1.00 32.40 O ATOM 190 CB ASN A 13 8.200 -4.735 -9.615 1.00 23.42 C ATOM 191 CG ASN A 13 8.629 -4.918 -8.172 1.00 22.02 C ATOM 192 OD1 ASN A 13 8.764 -6.043 -7.690 1.00 53.01 O ATOM 193 ND2 ASN A 13 8.846 -3.809 -7.474 1.00 42.14 N ATOM 0 H ASN A 13 5.793 -4.972 -8.632 1.00 31.21 H new ATOM 0 HA ASN A 13 7.440 -2.726 -9.604 1.00 54.01 H new ATOM 0 HB2 ASN A 13 7.892 -5.697 -10.024 1.00 23.42 H new ATOM 0 HB3 ASN A 13 9.052 -4.396 -10.204 1.00 23.42 H new ATOM 0 HD21 ASN A 13 9.137 -3.869 -6.498 1.00 42.14 H new ATOM 0 HD22 ASN A 13 8.722 -2.897 -7.914 1.00 42.14 H new ATOM 200 N ASN A 14 6.826 -2.850 -12.008 1.00 23.32 N ATOM 201 CA ASN A 14 6.336 -2.813 -13.381 1.00 0.51 C ATOM 202 C ASN A 14 4.820 -2.977 -13.422 1.00 12.43 C ATOM 203 O ASN A 14 4.290 -3.948 -13.962 1.00 31.15 O ATOM 204 CB ASN A 14 7.002 -3.911 -14.212 1.00 53.25 C ATOM 205 CG ASN A 14 8.472 -4.077 -13.880 1.00 31.12 C ATOM 206 OD1 ASN A 14 9.310 -3.282 -14.306 1.00 70.41 O ATOM 207 ND2 ASN A 14 8.791 -5.114 -13.114 1.00 65.25 N ATOM 0 H ASN A 14 7.454 -2.084 -11.764 1.00 23.32 H new ATOM 0 HA ASN A 14 6.590 -1.842 -13.805 1.00 0.51 H new ATOM 0 HB2 ASN A 14 6.485 -4.855 -14.042 1.00 53.25 H new ATOM 0 HB3 ASN A 14 6.896 -3.676 -15.271 1.00 53.25 H new ATOM 0 HD21 ASN A 14 9.764 -5.277 -12.856 1.00 65.25 H new ATOM 0 HD22 ASN A 14 8.063 -5.747 -12.784 1.00 65.25 H new ATOM 214 N PRO A 15 4.103 -2.004 -12.838 1.00 64.32 N ATOM 215 CA PRO A 15 2.638 -2.017 -12.796 1.00 22.35 C ATOM 216 C PRO A 15 2.016 -1.786 -14.168 1.00 62.34 C ATOM 217 O PRO A 15 2.521 -0.994 -14.965 1.00 25.20 O ATOM 218 CB PRO A 15 2.300 -0.859 -11.854 1.00 5.04 C ATOM 219 CG PRO A 15 3.469 0.061 -11.950 1.00 34.50 C ATOM 220 CD PRO A 15 4.669 -0.817 -12.176 1.00 12.13 C ATOM 0 HA PRO A 15 2.249 -2.980 -12.467 1.00 22.35 H new ATOM 0 HB2 PRO A 15 1.378 -0.361 -12.154 1.00 5.04 H new ATOM 0 HB3 PRO A 15 2.155 -1.209 -10.832 1.00 5.04 H new ATOM 0 HG2 PRO A 15 3.343 0.768 -12.770 1.00 34.50 H new ATOM 0 HG3 PRO A 15 3.580 0.647 -11.038 1.00 34.50 H new ATOM 0 HD2 PRO A 15 5.415 -0.325 -12.801 1.00 12.13 H new ATOM 0 HD3 PRO A 15 5.160 -1.076 -11.238 1.00 12.13 H new ATOM 228 N LEU A 16 0.917 -2.482 -14.439 1.00 43.34 N ATOM 229 CA LEU A 16 0.225 -2.352 -15.717 1.00 42.21 C ATOM 230 C LEU A 16 -0.781 -1.206 -15.677 1.00 73.42 C ATOM 231 O LEU A 16 -1.391 -0.867 -16.691 1.00 41.12 O ATOM 232 CB LEU A 16 -0.486 -3.659 -16.069 1.00 75.32 C ATOM 233 CG LEU A 16 0.401 -4.783 -16.605 1.00 20.43 C ATOM 234 CD1 LEU A 16 0.937 -5.631 -15.461 1.00 42.24 C ATOM 235 CD2 LEU A 16 -0.369 -5.645 -17.594 1.00 72.53 C ATOM 0 H LEU A 16 0.486 -3.142 -13.791 1.00 43.34 H new ATOM 0 HA LEU A 16 0.967 -2.132 -16.484 1.00 42.21 H new ATOM 0 HB2 LEU A 16 -0.999 -4.022 -15.178 1.00 75.32 H new ATOM 0 HB3 LEU A 16 -1.253 -3.443 -16.813 1.00 75.32 H new ATOM 0 HG LEU A 16 1.247 -4.335 -17.126 1.00 20.43 H new ATOM 0 HD11 LEU A 16 1.566 -6.426 -15.861 1.00 42.24 H new ATOM 0 HD12 LEU A 16 1.525 -5.006 -14.789 1.00 42.24 H new ATOM 0 HD13 LEU A 16 0.104 -6.069 -14.912 1.00 42.24 H new ATOM 0 HD21 LEU A 16 0.278 -6.440 -17.965 1.00 72.53 H new ATOM 0 HD22 LEU A 16 -1.234 -6.084 -17.097 1.00 72.53 H new ATOM 0 HD23 LEU A 16 -0.703 -5.030 -18.429 1.00 72.53 H new ATOM 247 N SER A 17 -0.949 -0.613 -14.499 1.00 64.35 N ATOM 248 CA SER A 17 -1.882 0.493 -14.327 1.00 13.41 C ATOM 249 C SER A 17 -1.873 0.992 -12.885 1.00 41.31 C ATOM 250 O SER A 17 -1.444 0.297 -11.964 1.00 12.44 O ATOM 251 CB SER A 17 -3.296 0.061 -14.720 1.00 14.43 C ATOM 252 OG SER A 17 -4.098 -0.163 -13.573 1.00 52.00 O ATOM 0 H SER A 17 -0.451 -0.881 -13.650 1.00 64.35 H new ATOM 0 HA SER A 17 -1.565 1.308 -14.977 1.00 13.41 H new ATOM 0 HB2 SER A 17 -3.754 0.829 -15.344 1.00 14.43 H new ATOM 0 HB3 SER A 17 -3.249 -0.849 -15.318 1.00 14.43 H new ATOM 0 HG SER A 17 -4.997 -0.436 -13.851 1.00 52.00 H new ATOM 258 N PRO A 18 -2.357 2.227 -12.684 1.00 31.11 N ATOM 259 CA PRO A 18 -2.416 2.847 -11.357 1.00 53.41 C ATOM 260 C PRO A 18 -3.453 2.188 -10.454 1.00 70.33 C ATOM 261 O PRO A 18 -4.433 1.614 -10.932 1.00 42.45 O ATOM 262 CB PRO A 18 -2.814 4.294 -11.660 1.00 11.33 C ATOM 263 CG PRO A 18 -3.535 4.225 -12.962 1.00 20.44 C ATOM 264 CD PRO A 18 -2.885 3.112 -13.736 1.00 65.20 C ATOM 0 HA PRO A 18 -1.472 2.753 -10.821 1.00 53.41 H new ATOM 0 HB2 PRO A 18 -3.452 4.701 -10.876 1.00 11.33 H new ATOM 0 HB3 PRO A 18 -1.938 4.940 -11.726 1.00 11.33 H new ATOM 0 HG2 PRO A 18 -4.596 4.027 -12.811 1.00 20.44 H new ATOM 0 HG3 PRO A 18 -3.460 5.170 -13.500 1.00 20.44 H new ATOM 0 HD2 PRO A 18 -3.602 2.595 -14.374 1.00 65.20 H new ATOM 0 HD3 PRO A 18 -2.091 3.484 -14.384 1.00 65.20 H new ATOM 272 N LEU A 19 -3.232 2.272 -9.147 1.00 42.32 N ATOM 273 CA LEU A 19 -4.148 1.683 -8.176 1.00 41.55 C ATOM 274 C LEU A 19 -5.371 2.572 -7.973 1.00 42.21 C ATOM 275 O LEU A 19 -5.402 3.715 -8.429 1.00 15.34 O ATOM 276 CB LEU A 19 -3.435 1.464 -6.841 1.00 11.00 C ATOM 277 CG LEU A 19 -2.029 0.868 -6.921 1.00 11.24 C ATOM 278 CD1 LEU A 19 -1.323 0.985 -5.579 1.00 32.34 C ATOM 279 CD2 LEU A 19 -2.090 -0.585 -7.369 1.00 12.22 C ATOM 0 H LEU A 19 -2.426 2.742 -8.735 1.00 42.32 H new ATOM 0 HA LEU A 19 -4.482 0.721 -8.565 1.00 41.55 H new ATOM 0 HB2 LEU A 19 -3.373 2.421 -6.324 1.00 11.00 H new ATOM 0 HB3 LEU A 19 -4.051 0.808 -6.226 1.00 11.00 H new ATOM 0 HG LEU A 19 -1.458 1.431 -7.659 1.00 11.24 H new ATOM 0 HD11 LEU A 19 -0.324 0.556 -5.655 1.00 32.34 H new ATOM 0 HD12 LEU A 19 -1.246 2.036 -5.299 1.00 32.34 H new ATOM 0 HD13 LEU A 19 -1.892 0.448 -4.820 1.00 32.34 H new ATOM 0 HD21 LEU A 19 -1.080 -0.993 -7.420 1.00 12.22 H new ATOM 0 HD22 LEU A 19 -2.678 -1.161 -6.655 1.00 12.22 H new ATOM 0 HD23 LEU A 19 -2.555 -0.643 -8.353 1.00 12.22 H new ATOM 291 N SER A 20 -6.375 2.039 -7.284 1.00 51.54 N ATOM 292 CA SER A 20 -7.601 2.784 -7.022 1.00 34.43 C ATOM 293 C SER A 20 -8.221 2.358 -5.694 1.00 52.21 C ATOM 294 O SER A 20 -7.989 1.247 -5.215 1.00 14.42 O ATOM 295 CB SER A 20 -8.605 2.572 -8.157 1.00 63.31 C ATOM 296 OG SER A 20 -9.092 1.241 -8.165 1.00 14.20 O ATOM 0 H SER A 20 -6.364 1.095 -6.898 1.00 51.54 H new ATOM 0 HA SER A 20 -7.348 3.843 -6.963 1.00 34.43 H new ATOM 0 HB2 SER A 20 -9.438 3.267 -8.045 1.00 63.31 H new ATOM 0 HB3 SER A 20 -8.131 2.795 -9.113 1.00 63.31 H new ATOM 0 HG SER A 20 -9.733 1.132 -8.898 1.00 14.20 H new ATOM 302 N LEU A 21 -9.010 3.249 -5.105 1.00 13.45 N ATOM 303 CA LEU A 21 -9.665 2.968 -3.832 1.00 20.04 C ATOM 304 C LEU A 21 -10.475 1.678 -3.909 1.00 71.13 C ATOM 305 O LEU A 21 -10.958 1.299 -4.977 1.00 21.01 O ATOM 306 CB LEU A 21 -10.575 4.132 -3.435 1.00 61.13 C ATOM 307 CG LEU A 21 -11.529 3.871 -2.269 1.00 41.20 C ATOM 308 CD1 LEU A 21 -10.754 3.715 -0.970 1.00 64.31 C ATOM 309 CD2 LEU A 21 -12.548 4.995 -2.152 1.00 1.30 C ATOM 0 H LEU A 21 -9.212 4.172 -5.488 1.00 13.45 H new ATOM 0 HA LEU A 21 -8.892 2.845 -3.074 1.00 20.04 H new ATOM 0 HB2 LEU A 21 -9.948 4.987 -3.181 1.00 61.13 H new ATOM 0 HB3 LEU A 21 -11.166 4.418 -4.305 1.00 61.13 H new ATOM 0 HG LEU A 21 -12.064 2.941 -2.463 1.00 41.20 H new ATOM 0 HD11 LEU A 21 -11.449 3.530 -0.151 1.00 64.31 H new ATOM 0 HD12 LEU A 21 -10.064 2.876 -1.057 1.00 64.31 H new ATOM 0 HD13 LEU A 21 -10.192 4.627 -0.770 1.00 64.31 H new ATOM 0 HD21 LEU A 21 -13.219 4.793 -1.317 1.00 1.30 H new ATOM 0 HD22 LEU A 21 -12.030 5.939 -1.981 1.00 1.30 H new ATOM 0 HD23 LEU A 21 -13.126 5.060 -3.074 1.00 1.30 H new ATOM 321 N HIS A 22 -10.622 1.008 -2.771 1.00 21.23 N ATOM 322 CA HIS A 22 -11.376 -0.239 -2.709 1.00 54.02 C ATOM 323 C HIS A 22 -12.588 -0.096 -1.793 1.00 70.10 C ATOM 324 O HIS A 22 -12.489 0.460 -0.699 1.00 30.30 O ATOM 325 CB HIS A 22 -10.482 -1.377 -2.217 1.00 61.34 C ATOM 326 CG HIS A 22 -11.002 -2.739 -2.562 1.00 65.02 C ATOM 327 ND1 HIS A 22 -10.965 -3.803 -1.685 1.00 41.34 N ATOM 328 CD2 HIS A 22 -11.574 -3.207 -3.696 1.00 31.33 C ATOM 329 CE1 HIS A 22 -11.491 -4.867 -2.265 1.00 42.24 C ATOM 330 NE2 HIS A 22 -11.869 -4.532 -3.486 1.00 2.01 N ATOM 0 H HIS A 22 -10.229 1.308 -1.879 1.00 21.23 H new ATOM 0 HA HIS A 22 -11.727 -0.472 -3.714 1.00 54.02 H new ATOM 0 HB2 HIS A 22 -9.487 -1.258 -2.646 1.00 61.34 H new ATOM 0 HB3 HIS A 22 -10.374 -1.302 -1.135 1.00 61.34 H new ATOM 0 HD2 HIS A 22 -11.763 -2.644 -4.598 1.00 31.33 H new ATOM 0 HE1 HIS A 22 -11.594 -5.844 -1.817 1.00 42.24 H new ATOM 0 HE2 HIS A 22 -12.308 -5.156 -4.163 1.00 2.01 H new ATOM 338 N ASP A 23 -13.730 -0.600 -2.247 1.00 61.55 N ATOM 339 CA ASP A 23 -14.961 -0.529 -1.469 1.00 23.44 C ATOM 340 C ASP A 23 -14.803 -1.255 -0.136 1.00 12.21 C ATOM 341 O ASP A 23 -15.518 -0.970 0.825 1.00 21.52 O ATOM 342 CB ASP A 23 -16.124 -1.133 -2.257 1.00 50.34 C ATOM 343 CG ASP A 23 -16.772 -0.130 -3.191 1.00 52.42 C ATOM 344 OD1 ASP A 23 -16.299 0.005 -4.339 1.00 60.43 O ATOM 345 OD2 ASP A 23 -17.753 0.521 -2.774 1.00 73.54 O ATOM 0 H ASP A 23 -13.829 -1.063 -3.151 1.00 61.55 H new ATOM 0 HA ASP A 23 -15.175 0.521 -1.269 1.00 23.44 H new ATOM 0 HB2 ASP A 23 -15.764 -1.984 -2.835 1.00 50.34 H new ATOM 0 HB3 ASP A 23 -16.872 -1.513 -1.561 1.00 50.34 H new ATOM 350 N SER A 24 -13.863 -2.194 -0.086 1.00 55.53 N ATOM 351 CA SER A 24 -13.615 -2.963 1.127 1.00 73.30 C ATOM 352 C SER A 24 -12.673 -2.213 2.063 1.00 13.34 C ATOM 353 O SER A 24 -12.869 -2.200 3.278 1.00 24.14 O ATOM 354 CB SER A 24 -13.023 -4.330 0.777 1.00 1.21 C ATOM 355 OG SER A 24 -13.667 -4.890 -0.354 1.00 21.41 O ATOM 0 H SER A 24 -13.261 -2.440 -0.872 1.00 55.53 H new ATOM 0 HA SER A 24 -14.567 -3.107 1.637 1.00 73.30 H new ATOM 0 HB2 SER A 24 -11.956 -4.228 0.578 1.00 1.21 H new ATOM 0 HB3 SER A 24 -13.126 -5.003 1.628 1.00 1.21 H new ATOM 0 HG SER A 24 -13.385 -5.822 -0.463 1.00 21.41 H new ATOM 361 N MET A 25 -11.651 -1.588 1.488 1.00 21.21 N ATOM 362 CA MET A 25 -10.678 -0.834 2.271 1.00 55.04 C ATOM 363 C MET A 25 -11.283 0.471 2.777 1.00 14.53 C ATOM 364 O MET A 25 -12.469 0.737 2.578 1.00 41.25 O ATOM 365 CB MET A 25 -9.434 -0.541 1.431 1.00 4.20 C ATOM 366 CG MET A 25 -9.588 0.662 0.514 1.00 33.23 C ATOM 367 SD MET A 25 -8.027 1.175 -0.228 1.00 71.40 S ATOM 368 CE MET A 25 -7.640 -0.260 -1.228 1.00 20.34 C ATOM 0 H MET A 25 -11.475 -1.588 0.483 1.00 21.21 H new ATOM 0 HA MET A 25 -10.392 -1.439 3.131 1.00 55.04 H new ATOM 0 HB2 MET A 25 -8.587 -0.374 2.097 1.00 4.20 H new ATOM 0 HB3 MET A 25 -9.197 -1.418 0.829 1.00 4.20 H new ATOM 0 HG2 MET A 25 -10.300 0.423 -0.276 1.00 33.23 H new ATOM 0 HG3 MET A 25 -10.007 1.494 1.080 1.00 33.23 H new ATOM 0 HE1 MET A 25 -6.559 -0.353 -1.328 1.00 20.34 H new ATOM 0 HE2 MET A 25 -8.038 -1.155 -0.750 1.00 20.34 H new ATOM 0 HE3 MET A 25 -8.087 -0.147 -2.215 1.00 20.34 H new ATOM 378 N LYS A 26 -10.462 1.283 3.434 1.00 1.32 N ATOM 379 CA LYS A 26 -10.915 2.562 3.969 1.00 21.21 C ATOM 380 C LYS A 26 -10.057 3.707 3.441 1.00 51.21 C ATOM 381 O LYS A 26 -10.566 4.784 3.128 1.00 32.33 O ATOM 382 CB LYS A 26 -10.872 2.542 5.499 1.00 71.12 C ATOM 383 CG LYS A 26 -12.232 2.733 6.148 1.00 71.33 C ATOM 384 CD LYS A 26 -12.415 1.810 7.341 1.00 3.34 C ATOM 385 CE LYS A 26 -11.901 2.449 8.623 1.00 72.22 C ATOM 386 NZ LYS A 26 -11.197 1.464 9.490 1.00 73.21 N ATOM 0 H LYS A 26 -9.478 1.078 3.609 1.00 1.32 H new ATOM 0 HA LYS A 26 -11.943 2.721 3.642 1.00 21.21 H new ATOM 0 HB2 LYS A 26 -10.451 1.593 5.830 1.00 71.12 H new ATOM 0 HB3 LYS A 26 -10.200 3.327 5.846 1.00 71.12 H new ATOM 0 HG2 LYS A 26 -12.341 3.769 6.468 1.00 71.33 H new ATOM 0 HG3 LYS A 26 -13.016 2.542 5.415 1.00 71.33 H new ATOM 0 HD2 LYS A 26 -13.471 1.564 7.454 1.00 3.34 H new ATOM 0 HD3 LYS A 26 -11.887 0.873 7.163 1.00 3.34 H new ATOM 0 HE2 LYS A 26 -11.222 3.265 8.375 1.00 72.22 H new ATOM 0 HE3 LYS A 26 -12.736 2.884 9.172 1.00 72.22 H new ATOM 0 HZ1 LYS A 26 -10.862 1.938 10.353 1.00 73.21 H new ATOM 0 HZ2 LYS A 26 -11.852 0.698 9.748 1.00 73.21 H new ATOM 0 HZ3 LYS A 26 -10.385 1.067 8.976 1.00 73.21 H new ATOM 400 N TYR A 27 -8.754 3.468 3.343 1.00 72.23 N ATOM 401 CA TYR A 27 -7.826 4.480 2.853 1.00 60.22 C ATOM 402 C TYR A 27 -6.810 3.868 1.893 1.00 3.14 C ATOM 403 O TYR A 27 -6.483 2.684 1.988 1.00 52.23 O ATOM 404 CB TYR A 27 -7.102 5.147 4.023 1.00 23.13 C ATOM 405 CG TYR A 27 -6.628 6.551 3.721 1.00 22.34 C ATOM 406 CD1 TYR A 27 -7.508 7.515 3.246 1.00 73.32 C ATOM 407 CD2 TYR A 27 -5.300 6.913 3.911 1.00 61.24 C ATOM 408 CE1 TYR A 27 -7.080 8.798 2.968 1.00 41.42 C ATOM 409 CE2 TYR A 27 -4.863 8.194 3.637 1.00 51.33 C ATOM 410 CZ TYR A 27 -5.757 9.133 3.165 1.00 4.44 C ATOM 411 OH TYR A 27 -5.325 10.411 2.890 1.00 20.30 O ATOM 0 H TYR A 27 -8.317 2.582 3.596 1.00 72.23 H new ATOM 0 HA TYR A 27 -8.400 5.233 2.314 1.00 60.22 H new ATOM 0 HB2 TYR A 27 -7.770 5.175 4.884 1.00 23.13 H new ATOM 0 HB3 TYR A 27 -6.245 4.536 4.305 1.00 23.13 H new ATOM 0 HD1 TYR A 27 -8.545 7.257 3.091 1.00 73.32 H new ATOM 0 HD2 TYR A 27 -4.598 6.180 4.279 1.00 61.24 H new ATOM 0 HE1 TYR A 27 -7.778 9.535 2.598 1.00 41.42 H new ATOM 0 HE2 TYR A 27 -3.828 8.459 3.791 1.00 51.33 H new ATOM 0 HH TYR A 27 -4.644 10.674 3.544 1.00 20.30 H new ATOM 421 N LEU A 28 -6.312 4.684 0.970 1.00 33.33 N ATOM 422 CA LEU A 28 -5.332 4.225 -0.008 1.00 2.03 C ATOM 423 C LEU A 28 -4.142 5.177 -0.073 1.00 62.05 C ATOM 424 O LEU A 28 -4.308 6.385 -0.240 1.00 14.30 O ATOM 425 CB LEU A 28 -5.978 4.103 -1.389 1.00 35.44 C ATOM 426 CG LEU A 28 -5.019 4.069 -2.579 1.00 2.24 C ATOM 427 CD1 LEU A 28 -3.937 3.023 -2.362 1.00 63.34 C ATOM 428 CD2 LEU A 28 -5.778 3.795 -3.869 1.00 12.35 C ATOM 0 H LEU A 28 -6.571 5.666 0.879 1.00 33.33 H new ATOM 0 HA LEU A 28 -4.974 3.245 0.306 1.00 2.03 H new ATOM 0 HB2 LEU A 28 -6.580 3.194 -1.407 1.00 35.44 H new ATOM 0 HB3 LEU A 28 -6.662 4.941 -1.523 1.00 35.44 H new ATOM 0 HG LEU A 28 -4.541 5.045 -2.664 1.00 2.24 H new ATOM 0 HD11 LEU A 28 -3.264 3.013 -3.219 1.00 63.34 H new ATOM 0 HD12 LEU A 28 -3.374 3.264 -1.461 1.00 63.34 H new ATOM 0 HD13 LEU A 28 -4.397 2.041 -2.251 1.00 63.34 H new ATOM 0 HD21 LEU A 28 -5.079 3.774 -4.705 1.00 12.35 H new ATOM 0 HD22 LEU A 28 -6.284 2.833 -3.796 1.00 12.35 H new ATOM 0 HD23 LEU A 28 -6.515 4.581 -4.032 1.00 12.35 H new ATOM 440 N VAL A 29 -2.940 4.624 0.056 1.00 31.23 N ATOM 441 CA VAL A 29 -1.721 5.423 0.008 1.00 34.23 C ATOM 442 C VAL A 29 -0.631 4.715 -0.788 1.00 73.13 C ATOM 443 O VAL A 29 -0.226 3.602 -0.453 1.00 32.32 O ATOM 444 CB VAL A 29 -1.193 5.726 1.423 1.00 52.41 C ATOM 445 CG1 VAL A 29 0.137 6.460 1.350 1.00 3.02 C ATOM 446 CG2 VAL A 29 -2.214 6.534 2.210 1.00 31.45 C ATOM 0 H VAL A 29 -2.784 3.626 0.195 1.00 31.23 H new ATOM 0 HA VAL A 29 -1.976 6.361 -0.485 1.00 34.23 H new ATOM 0 HB VAL A 29 -1.032 4.781 1.942 1.00 52.41 H new ATOM 0 HG11 VAL A 29 0.495 6.666 2.359 1.00 3.02 H new ATOM 0 HG12 VAL A 29 0.866 5.842 0.826 1.00 3.02 H new ATOM 0 HG13 VAL A 29 0.005 7.399 0.813 1.00 3.02 H new ATOM 0 HG21 VAL A 29 -1.825 6.739 3.207 1.00 31.45 H new ATOM 0 HG22 VAL A 29 -2.408 7.475 1.695 1.00 31.45 H new ATOM 0 HG23 VAL A 29 -3.141 5.967 2.292 1.00 31.45 H new ATOM 456 N TYR A 30 -0.160 5.368 -1.845 1.00 23.14 N ATOM 457 CA TYR A 30 0.883 4.800 -2.691 1.00 40.41 C ATOM 458 C TYR A 30 1.680 5.901 -3.386 1.00 33.44 C ATOM 459 O TYR A 30 1.168 6.994 -3.626 1.00 63.35 O ATOM 460 CB TYR A 30 0.270 3.864 -3.733 1.00 55.05 C ATOM 461 CG TYR A 30 -0.279 4.583 -4.945 1.00 43.13 C ATOM 462 CD1 TYR A 30 0.527 4.840 -6.048 1.00 53.11 C ATOM 463 CD2 TYR A 30 -1.601 5.006 -4.987 1.00 53.34 C ATOM 464 CE1 TYR A 30 0.031 5.497 -7.157 1.00 54.33 C ATOM 465 CE2 TYR A 30 -2.106 5.663 -6.093 1.00 33.21 C ATOM 466 CZ TYR A 30 -1.287 5.906 -7.175 1.00 44.21 C ATOM 467 OH TYR A 30 -1.786 6.561 -8.278 1.00 4.23 O ATOM 0 H TYR A 30 -0.484 6.290 -2.136 1.00 23.14 H new ATOM 0 HA TYR A 30 1.561 4.231 -2.055 1.00 40.41 H new ATOM 0 HB2 TYR A 30 1.027 3.149 -4.057 1.00 55.05 H new ATOM 0 HB3 TYR A 30 -0.531 3.291 -3.267 1.00 55.05 H new ATOM 0 HD1 TYR A 30 1.559 4.520 -6.038 1.00 53.11 H new ATOM 0 HD2 TYR A 30 -2.245 4.818 -4.141 1.00 53.34 H new ATOM 0 HE1 TYR A 30 0.671 5.690 -8.005 1.00 54.33 H new ATOM 0 HE2 TYR A 30 -3.137 5.984 -6.110 1.00 33.21 H new ATOM 0 HH TYR A 30 -2.730 6.779 -8.130 1.00 4.23 H new ATOM 477 N GLN A 31 2.935 5.602 -3.705 1.00 32.40 N ATOM 478 CA GLN A 31 3.803 6.565 -4.372 1.00 30.31 C ATOM 479 C GLN A 31 4.638 5.887 -5.453 1.00 43.11 C ATOM 480 O GLN A 31 4.859 4.676 -5.415 1.00 51.14 O ATOM 481 CB GLN A 31 4.720 7.246 -3.355 1.00 11.42 C ATOM 482 CG GLN A 31 4.066 7.472 -2.001 1.00 54.34 C ATOM 483 CD GLN A 31 4.950 8.252 -1.048 1.00 51.15 C ATOM 484 OE1 GLN A 31 5.809 9.025 -1.473 1.00 2.33 O ATOM 485 NE2 GLN A 31 4.744 8.053 0.248 1.00 13.01 N ATOM 0 H GLN A 31 3.373 4.701 -3.513 1.00 32.40 H new ATOM 0 HA GLN A 31 3.173 7.319 -4.844 1.00 30.31 H new ATOM 0 HB2 GLN A 31 5.614 6.638 -3.220 1.00 11.42 H new ATOM 0 HB3 GLN A 31 5.045 8.206 -3.757 1.00 11.42 H new ATOM 0 HG2 GLN A 31 3.127 8.008 -2.140 1.00 54.34 H new ATOM 0 HG3 GLN A 31 3.820 6.508 -1.555 1.00 54.34 H new ATOM 0 HE21 GLN A 31 4.021 7.403 0.556 1.00 13.01 H new ATOM 0 HE22 GLN A 31 5.309 8.550 0.936 1.00 13.01 H new ATOM 494 N THR A 32 5.101 6.676 -6.418 1.00 2.11 N ATOM 495 CA THR A 32 5.911 6.153 -7.511 1.00 32.52 C ATOM 496 C THR A 32 7.398 6.312 -7.218 1.00 64.32 C ATOM 497 O THR A 32 7.839 7.361 -6.750 1.00 72.12 O ATOM 498 CB THR A 32 5.583 6.857 -8.841 1.00 15.13 C ATOM 499 OG1 THR A 32 4.193 6.700 -9.149 1.00 30.44 O ATOM 500 CG2 THR A 32 6.426 6.293 -9.974 1.00 55.04 C ATOM 0 H THR A 32 4.928 7.680 -6.464 1.00 2.11 H new ATOM 0 HA THR A 32 5.673 5.093 -7.602 1.00 32.52 H new ATOM 0 HB THR A 32 5.813 7.917 -8.732 1.00 15.13 H new ATOM 0 HG1 THR A 32 3.763 7.580 -9.177 1.00 30.44 H new ATOM 0 HG21 THR A 32 6.177 6.806 -10.903 1.00 55.04 H new ATOM 0 HG22 THR A 32 7.482 6.441 -9.750 1.00 55.04 H new ATOM 0 HG23 THR A 32 6.224 5.227 -10.082 1.00 55.04 H new ATOM 508 N GLU A 33 8.167 5.264 -7.498 1.00 23.12 N ATOM 509 CA GLU A 33 9.606 5.289 -7.264 1.00 3.11 C ATOM 510 C GLU A 33 10.366 4.799 -8.493 1.00 61.12 C ATOM 511 O GLU A 33 9.819 4.077 -9.326 1.00 54.10 O ATOM 512 CB GLU A 33 9.964 4.426 -6.052 1.00 73.11 C ATOM 513 CG GLU A 33 9.924 5.181 -4.734 1.00 62.21 C ATOM 514 CD GLU A 33 11.248 5.135 -3.996 1.00 32.25 C ATOM 515 OE1 GLU A 33 11.966 4.122 -4.127 1.00 45.33 O ATOM 516 OE2 GLU A 33 11.565 6.112 -3.286 1.00 14.33 O ATOM 0 H GLU A 33 7.818 4.388 -7.887 1.00 23.12 H new ATOM 0 HA GLU A 33 9.897 6.320 -7.065 1.00 3.11 H new ATOM 0 HB2 GLU A 33 9.274 3.584 -6.000 1.00 73.11 H new ATOM 0 HB3 GLU A 33 10.962 4.012 -6.194 1.00 73.11 H new ATOM 0 HG2 GLU A 33 9.653 6.220 -4.923 1.00 62.21 H new ATOM 0 HG3 GLU A 33 9.144 4.758 -4.101 1.00 62.21 H new ATOM 523 N GLN A 34 11.630 5.198 -8.598 1.00 74.54 N ATOM 524 CA GLN A 34 12.464 4.800 -9.726 1.00 61.11 C ATOM 525 C GLN A 34 13.381 3.643 -9.344 1.00 30.35 C ATOM 526 O GLN A 34 14.049 3.682 -8.311 1.00 40.02 O ATOM 527 CB GLN A 34 13.297 5.986 -10.215 1.00 2.24 C ATOM 528 CG GLN A 34 13.100 6.302 -11.688 1.00 52.53 C ATOM 529 CD GLN A 34 14.299 5.920 -12.533 1.00 70.40 C ATOM 530 OE1 GLN A 34 15.142 5.127 -12.112 1.00 31.11 O ATOM 531 NE2 GLN A 34 14.382 6.482 -13.733 1.00 72.12 N ATOM 0 H GLN A 34 12.098 5.796 -7.917 1.00 74.54 H new ATOM 0 HA GLN A 34 11.808 4.469 -10.531 1.00 61.11 H new ATOM 0 HB2 GLN A 34 13.041 6.867 -9.626 1.00 2.24 H new ATOM 0 HB3 GLN A 34 14.352 5.777 -10.035 1.00 2.24 H new ATOM 0 HG2 GLN A 34 12.219 5.774 -12.054 1.00 52.53 H new ATOM 0 HG3 GLN A 34 12.904 7.368 -11.804 1.00 52.53 H new ATOM 0 HE21 GLN A 34 13.661 7.134 -14.042 1.00 72.12 H new ATOM 0 HE22 GLN A 34 15.167 6.262 -14.346 1.00 72.12 H new ATOM 540 N GLY A 35 13.407 2.612 -10.183 1.00 43.13 N ATOM 541 CA GLY A 35 14.245 1.458 -9.915 1.00 31.20 C ATOM 542 C GLY A 35 14.015 0.332 -10.904 1.00 44.42 C ATOM 543 O GLY A 35 13.127 0.414 -11.751 1.00 53.42 O ATOM 0 H GLY A 35 12.863 2.555 -11.044 1.00 43.13 H new ATOM 0 HA2 GLY A 35 15.292 1.758 -9.948 1.00 31.20 H new ATOM 0 HA3 GLY A 35 14.048 1.097 -8.906 1.00 31.20 H new ATOM 547 N GLU A 36 14.820 -0.720 -10.798 1.00 30.43 N ATOM 548 CA GLU A 36 14.701 -1.866 -11.692 1.00 52.34 C ATOM 549 C GLU A 36 14.364 -1.415 -13.111 1.00 30.11 C ATOM 550 O GLU A 36 13.199 -1.395 -13.507 1.00 10.11 O ATOM 551 CB GLU A 36 13.627 -2.829 -11.183 1.00 70.41 C ATOM 552 CG GLU A 36 12.340 -2.140 -10.763 1.00 1.44 C ATOM 553 CD GLU A 36 11.279 -3.118 -10.297 1.00 41.20 C ATOM 554 OE1 GLU A 36 11.258 -4.257 -10.809 1.00 14.20 O ATOM 555 OE2 GLU A 36 10.471 -2.745 -9.422 1.00 14.24 O ATOM 0 H GLU A 36 15.561 -0.803 -10.102 1.00 30.43 H new ATOM 0 HA GLU A 36 15.661 -2.382 -11.711 1.00 52.34 H new ATOM 0 HB2 GLU A 36 13.402 -3.555 -11.965 1.00 70.41 H new ATOM 0 HB3 GLU A 36 14.024 -3.387 -10.335 1.00 70.41 H new ATOM 0 HG2 GLU A 36 12.555 -1.434 -9.961 1.00 1.44 H new ATOM 0 HG3 GLU A 36 11.952 -1.561 -11.601 1.00 1.44 H new ATOM 562 N ALA A 37 15.393 -1.054 -13.871 1.00 12.03 N ATOM 563 CA ALA A 37 15.207 -0.605 -15.245 1.00 61.31 C ATOM 564 C ALA A 37 14.402 0.689 -15.296 1.00 73.41 C ATOM 565 O ALA A 37 13.896 1.157 -14.277 1.00 43.31 O ATOM 566 CB ALA A 37 14.522 -1.688 -16.066 1.00 23.22 C ATOM 0 H ALA A 37 16.364 -1.064 -13.558 1.00 12.03 H new ATOM 0 HA ALA A 37 16.190 -0.407 -15.673 1.00 61.31 H new ATOM 0 HB1 ALA A 37 14.389 -1.339 -17.090 1.00 23.22 H new ATOM 0 HB2 ALA A 37 15.137 -2.588 -16.066 1.00 23.22 H new ATOM 0 HB3 ALA A 37 13.549 -1.914 -15.631 1.00 23.22 H new ATOM 572 N GLY A 38 14.287 1.262 -16.490 1.00 52.22 N ATOM 573 CA GLY A 38 13.542 2.498 -16.651 1.00 63.51 C ATOM 574 C GLY A 38 12.149 2.416 -16.059 1.00 4.32 C ATOM 575 O GLY A 38 11.581 3.428 -15.652 1.00 10.53 O ATOM 0 H GLY A 38 14.696 0.893 -17.348 1.00 52.22 H new ATOM 0 HA2 GLY A 38 14.088 3.313 -16.175 1.00 63.51 H new ATOM 0 HA3 GLY A 38 13.469 2.739 -17.711 1.00 63.51 H new ATOM 579 N ASN A 39 11.597 1.208 -16.012 1.00 44.22 N ATOM 580 CA ASN A 39 10.261 0.999 -15.468 1.00 13.15 C ATOM 581 C ASN A 39 10.140 1.608 -14.074 1.00 31.33 C ATOM 582 O ASN A 39 11.134 2.027 -13.480 1.00 62.13 O ATOM 583 CB ASN A 39 9.937 -0.495 -15.413 1.00 65.44 C ATOM 584 CG ASN A 39 10.321 -1.216 -16.691 1.00 73.53 C ATOM 585 OD1 ASN A 39 11.291 -1.973 -16.723 1.00 64.00 O ATOM 586 ND2 ASN A 39 9.558 -0.984 -17.753 1.00 72.31 N ATOM 0 H ASN A 39 12.055 0.359 -16.344 1.00 44.22 H new ATOM 0 HA ASN A 39 9.547 1.495 -16.126 1.00 13.15 H new ATOM 0 HB2 ASN A 39 10.462 -0.947 -14.572 1.00 65.44 H new ATOM 0 HB3 ASN A 39 8.870 -0.626 -15.231 1.00 65.44 H new ATOM 0 HD21 ASN A 39 9.767 -1.441 -18.641 1.00 72.31 H new ATOM 0 HD22 ASN A 39 8.763 -0.349 -17.681 1.00 72.31 H new ATOM 593 N ILE A 40 8.916 1.652 -13.558 1.00 24.05 N ATOM 594 CA ILE A 40 8.666 2.208 -12.233 1.00 62.54 C ATOM 595 C ILE A 40 7.907 1.218 -11.357 1.00 33.35 C ATOM 596 O ILE A 40 7.362 0.228 -11.847 1.00 12.21 O ATOM 597 CB ILE A 40 7.867 3.521 -12.316 1.00 12.31 C ATOM 598 CG1 ILE A 40 6.940 3.504 -13.533 1.00 51.21 C ATOM 599 CG2 ILE A 40 8.811 4.713 -12.379 1.00 70.30 C ATOM 600 CD1 ILE A 40 6.033 4.712 -13.619 1.00 62.02 C ATOM 0 H ILE A 40 8.083 1.310 -14.036 1.00 24.05 H new ATOM 0 HA ILE A 40 9.639 2.412 -11.787 1.00 62.54 H new ATOM 0 HB ILE A 40 7.255 3.614 -11.418 1.00 12.31 H new ATOM 0 HG12 ILE A 40 7.544 3.448 -14.439 1.00 51.21 H new ATOM 0 HG13 ILE A 40 6.329 2.602 -13.501 1.00 51.21 H new ATOM 0 HG21 ILE A 40 8.231 5.634 -12.437 1.00 70.30 H new ATOM 0 HG22 ILE A 40 9.433 4.732 -11.484 1.00 70.30 H new ATOM 0 HG23 ILE A 40 9.446 4.628 -13.261 1.00 70.30 H new ATOM 0 HD11 ILE A 40 5.404 4.633 -14.506 1.00 62.02 H new ATOM 0 HD12 ILE A 40 5.403 4.758 -12.731 1.00 62.02 H new ATOM 0 HD13 ILE A 40 6.637 5.617 -13.683 1.00 62.02 H new ATOM 612 N HIS A 41 7.873 1.492 -10.056 1.00 61.02 N ATOM 613 CA HIS A 41 7.178 0.627 -9.110 1.00 72.41 C ATOM 614 C HIS A 41 6.379 1.451 -8.105 1.00 4.30 C ATOM 615 O HIS A 41 6.737 2.588 -7.796 1.00 52.44 O ATOM 616 CB HIS A 41 8.177 -0.267 -8.375 1.00 32.31 C ATOM 617 CG HIS A 41 9.464 0.421 -8.042 1.00 4.35 C ATOM 618 ND1 HIS A 41 10.684 -0.222 -8.040 1.00 72.50 N ATOM 619 CD2 HIS A 41 9.718 1.706 -7.699 1.00 65.01 C ATOM 620 CE1 HIS A 41 11.632 0.636 -7.709 1.00 70.14 C ATOM 621 NE2 HIS A 41 11.073 1.814 -7.498 1.00 34.52 N ATOM 0 H HIS A 41 8.319 2.306 -9.634 1.00 61.02 H new ATOM 0 HA HIS A 41 6.485 -0.000 -9.671 1.00 72.41 H new ATOM 0 HB2 HIS A 41 7.719 -0.629 -7.454 1.00 32.31 H new ATOM 0 HB3 HIS A 41 8.390 -1.141 -8.990 1.00 32.31 H new ATOM 0 HD1 HIS A 41 10.831 -1.207 -8.260 1.00 72.50 H new ATOM 0 HD2 HIS A 41 8.991 2.499 -7.602 1.00 65.01 H new ATOM 0 HE1 HIS A 41 12.685 0.412 -7.625 1.00 70.14 H new ATOM 629 N PHE A 42 5.297 0.871 -7.598 1.00 54.22 N ATOM 630 CA PHE A 42 4.446 1.553 -6.629 1.00 45.13 C ATOM 631 C PHE A 42 4.756 1.086 -5.210 1.00 64.01 C ATOM 632 O PHE A 42 4.858 -0.112 -4.949 1.00 35.41 O ATOM 633 CB PHE A 42 2.971 1.304 -6.949 1.00 41.44 C ATOM 634 CG PHE A 42 2.549 1.842 -8.287 1.00 20.20 C ATOM 635 CD1 PHE A 42 3.119 2.998 -8.795 1.00 62.22 C ATOM 636 CD2 PHE A 42 1.582 1.191 -9.036 1.00 14.22 C ATOM 637 CE1 PHE A 42 2.733 3.495 -10.026 1.00 24.21 C ATOM 638 CE2 PHE A 42 1.192 1.683 -10.267 1.00 42.22 C ATOM 639 CZ PHE A 42 1.768 2.837 -10.762 1.00 52.03 C ATOM 0 H PHE A 42 4.988 -0.070 -7.842 1.00 54.22 H new ATOM 0 HA PHE A 42 4.649 2.622 -6.694 1.00 45.13 H new ATOM 0 HB2 PHE A 42 2.777 0.232 -6.920 1.00 41.44 H new ATOM 0 HB3 PHE A 42 2.357 1.760 -6.173 1.00 41.44 H new ATOM 0 HD1 PHE A 42 3.874 3.517 -8.223 1.00 62.22 H new ATOM 0 HD2 PHE A 42 1.128 0.289 -8.653 1.00 14.22 H new ATOM 0 HE1 PHE A 42 3.186 4.397 -10.411 1.00 24.21 H new ATOM 0 HE2 PHE A 42 0.438 1.166 -10.842 1.00 42.22 H new ATOM 0 HZ PHE A 42 1.464 3.224 -11.723 1.00 52.03 H new ATOM 649 N GLN A 43 4.906 2.042 -4.299 1.00 23.55 N ATOM 650 CA GLN A 43 5.206 1.728 -2.906 1.00 52.23 C ATOM 651 C GLN A 43 4.323 2.539 -1.964 1.00 13.23 C ATOM 652 O GLN A 43 4.151 3.744 -2.141 1.00 1.51 O ATOM 653 CB GLN A 43 6.680 2.003 -2.606 1.00 22.25 C ATOM 654 CG GLN A 43 7.555 0.761 -2.666 1.00 50.02 C ATOM 655 CD GLN A 43 7.624 0.031 -1.340 1.00 23.53 C ATOM 656 OE1 GLN A 43 8.407 0.390 -0.460 1.00 1.21 O ATOM 657 NE2 GLN A 43 6.803 -1.002 -1.189 1.00 21.05 N ATOM 0 H GLN A 43 4.825 3.039 -4.499 1.00 23.55 H new ATOM 0 HA GLN A 43 5.001 0.670 -2.745 1.00 52.23 H new ATOM 0 HB2 GLN A 43 7.056 2.737 -3.318 1.00 22.25 H new ATOM 0 HB3 GLN A 43 6.763 2.449 -1.615 1.00 22.25 H new ATOM 0 HG2 GLN A 43 7.168 0.085 -3.429 1.00 50.02 H new ATOM 0 HG3 GLN A 43 8.562 1.045 -2.973 1.00 50.02 H new ATOM 0 HE21 GLN A 43 6.170 -1.265 -1.944 1.00 21.05 H new ATOM 0 HE22 GLN A 43 6.805 -1.532 -0.318 1.00 21.05 H new ATOM 666 N GLY A 44 3.764 1.869 -0.961 1.00 32.24 N ATOM 667 CA GLY A 44 2.905 2.543 -0.005 1.00 55.42 C ATOM 668 C GLY A 44 2.192 1.575 0.918 1.00 53.31 C ATOM 669 O GLY A 44 2.447 0.371 0.883 1.00 4.35 O ATOM 0 H GLY A 44 3.891 0.871 -0.793 1.00 32.24 H new ATOM 0 HA2 GLY A 44 3.501 3.235 0.590 1.00 55.42 H new ATOM 0 HA3 GLY A 44 2.167 3.139 -0.542 1.00 55.42 H new ATOM 673 N TYR A 45 1.296 2.101 1.747 1.00 64.05 N ATOM 674 CA TYR A 45 0.547 1.275 2.686 1.00 4.33 C ATOM 675 C TYR A 45 -0.953 1.385 2.432 1.00 61.21 C ATOM 676 O TYR A 45 -1.468 2.466 2.146 1.00 42.23 O ATOM 677 CB TYR A 45 0.864 1.688 4.125 1.00 55.32 C ATOM 678 CG TYR A 45 0.381 3.078 4.476 1.00 62.32 C ATOM 679 CD1 TYR A 45 -0.933 3.299 4.868 1.00 54.45 C ATOM 680 CD2 TYR A 45 1.239 4.169 4.415 1.00 64.41 C ATOM 681 CE1 TYR A 45 -1.379 4.567 5.189 1.00 41.15 C ATOM 682 CE2 TYR A 45 0.803 5.439 4.735 1.00 1.45 C ATOM 683 CZ TYR A 45 -0.507 5.634 5.121 1.00 22.35 C ATOM 684 OH TYR A 45 -0.946 6.898 5.440 1.00 3.33 O ATOM 0 H TYR A 45 1.071 3.095 1.787 1.00 64.05 H new ATOM 0 HA TYR A 45 0.847 0.238 2.538 1.00 4.33 H new ATOM 0 HB2 TYR A 45 0.409 0.971 4.809 1.00 55.32 H new ATOM 0 HB3 TYR A 45 1.942 1.637 4.280 1.00 55.32 H new ATOM 0 HD1 TYR A 45 -1.618 2.466 4.923 1.00 54.45 H new ATOM 0 HD2 TYR A 45 2.265 4.021 4.112 1.00 64.41 H new ATOM 0 HE1 TYR A 45 -2.404 4.722 5.491 1.00 41.15 H new ATOM 0 HE2 TYR A 45 1.484 6.276 4.683 1.00 1.45 H new ATOM 0 HH TYR A 45 -0.208 7.535 5.342 1.00 3.33 H new ATOM 694 N ILE A 46 -1.648 0.258 2.539 1.00 32.32 N ATOM 695 CA ILE A 46 -3.089 0.226 2.323 1.00 54.21 C ATOM 696 C ILE A 46 -3.811 -0.391 3.516 1.00 20.11 C ATOM 697 O ILE A 46 -3.484 -1.496 3.947 1.00 21.13 O ATOM 698 CB ILE A 46 -3.451 -0.566 1.053 1.00 62.13 C ATOM 699 CG1 ILE A 46 -2.696 -0.007 -0.155 1.00 73.13 C ATOM 700 CG2 ILE A 46 -4.952 -0.524 0.812 1.00 74.32 C ATOM 701 CD1 ILE A 46 -2.803 -0.876 -1.389 1.00 42.31 C ATOM 0 H ILE A 46 -1.236 -0.645 2.774 1.00 32.32 H new ATOM 0 HA ILE A 46 -3.412 1.260 2.201 1.00 54.21 H new ATOM 0 HB ILE A 46 -3.155 -1.605 1.194 1.00 62.13 H new ATOM 0 HG12 ILE A 46 -3.080 0.987 -0.386 1.00 73.13 H new ATOM 0 HG13 ILE A 46 -1.644 0.111 0.107 1.00 73.13 H new ATOM 0 HG21 ILE A 46 -5.192 -1.088 -0.089 1.00 74.32 H new ATOM 0 HG22 ILE A 46 -5.470 -0.964 1.664 1.00 74.32 H new ATOM 0 HG23 ILE A 46 -5.272 0.511 0.688 1.00 74.32 H new ATOM 0 HD11 ILE A 46 -2.244 -0.419 -2.206 1.00 42.31 H new ATOM 0 HD12 ILE A 46 -2.392 -1.863 -1.176 1.00 42.31 H new ATOM 0 HD13 ILE A 46 -3.850 -0.973 -1.676 1.00 42.31 H new ATOM 713 N GLU A 47 -4.795 0.330 4.044 1.00 52.35 N ATOM 714 CA GLU A 47 -5.564 -0.148 5.187 1.00 50.15 C ATOM 715 C GLU A 47 -6.918 -0.693 4.742 1.00 71.13 C ATOM 716 O GLU A 47 -7.733 0.031 4.171 1.00 71.23 O ATOM 717 CB GLU A 47 -5.764 0.979 6.202 1.00 33.11 C ATOM 718 CG GLU A 47 -4.470 1.650 6.630 1.00 21.32 C ATOM 719 CD GLU A 47 -4.697 3.015 7.249 1.00 13.20 C ATOM 720 OE1 GLU A 47 -5.819 3.267 7.737 1.00 23.31 O ATOM 721 OE2 GLU A 47 -3.753 3.832 7.245 1.00 3.32 O ATOM 0 H GLU A 47 -5.078 1.247 3.699 1.00 52.35 H new ATOM 0 HA GLU A 47 -5.004 -0.956 5.658 1.00 50.15 H new ATOM 0 HB2 GLU A 47 -6.428 1.730 5.773 1.00 33.11 H new ATOM 0 HB3 GLU A 47 -6.264 0.578 7.084 1.00 33.11 H new ATOM 0 HG2 GLU A 47 -3.954 1.011 7.347 1.00 21.32 H new ATOM 0 HG3 GLU A 47 -3.815 1.752 5.765 1.00 21.32 H new ATOM 728 N MET A 48 -7.150 -1.975 5.008 1.00 44.45 N ATOM 729 CA MET A 48 -8.405 -2.617 4.635 1.00 23.23 C ATOM 730 C MET A 48 -9.501 -2.294 5.645 1.00 32.44 C ATOM 731 O MET A 48 -9.274 -1.567 6.613 1.00 73.05 O ATOM 732 CB MET A 48 -8.217 -4.132 4.536 1.00 62.23 C ATOM 733 CG MET A 48 -7.369 -4.563 3.350 1.00 4.30 C ATOM 734 SD MET A 48 -8.327 -5.417 2.084 1.00 52.41 S ATOM 735 CE MET A 48 -8.943 -4.030 1.133 1.00 40.45 C ATOM 0 H MET A 48 -6.486 -2.589 5.480 1.00 44.45 H new ATOM 0 HA MET A 48 -8.707 -2.231 3.661 1.00 23.23 H new ATOM 0 HB2 MET A 48 -7.753 -4.493 5.454 1.00 62.23 H new ATOM 0 HB3 MET A 48 -9.195 -4.607 4.465 1.00 62.23 H new ATOM 0 HG2 MET A 48 -6.894 -3.686 2.910 1.00 4.30 H new ATOM 0 HG3 MET A 48 -6.570 -5.217 3.698 1.00 4.30 H new ATOM 0 HE1 MET A 48 -10.014 -3.919 1.303 1.00 40.45 H new ATOM 0 HE2 MET A 48 -8.430 -3.120 1.443 1.00 40.45 H new ATOM 0 HE3 MET A 48 -8.760 -4.206 0.073 1.00 40.45 H new ATOM 745 N LYS A 49 -10.691 -2.839 5.415 1.00 62.31 N ATOM 746 CA LYS A 49 -11.823 -2.611 6.305 1.00 51.34 C ATOM 747 C LYS A 49 -11.457 -2.942 7.748 1.00 45.12 C ATOM 748 O LYS A 49 -11.529 -2.086 8.630 1.00 50.01 O ATOM 749 CB LYS A 49 -13.022 -3.454 5.865 1.00 21.43 C ATOM 750 CG LYS A 49 -14.330 -2.682 5.832 1.00 24.44 C ATOM 751 CD LYS A 49 -15.325 -3.313 4.873 1.00 13.03 C ATOM 752 CE LYS A 49 -15.787 -4.676 5.366 1.00 61.03 C ATOM 753 NZ LYS A 49 -16.806 -4.560 6.445 1.00 0.13 N ATOM 0 H LYS A 49 -10.896 -3.442 4.619 1.00 62.31 H new ATOM 0 HA LYS A 49 -12.089 -1.555 6.250 1.00 51.34 H new ATOM 0 HB2 LYS A 49 -12.825 -3.861 4.873 1.00 21.43 H new ATOM 0 HB3 LYS A 49 -13.127 -4.302 6.542 1.00 21.43 H new ATOM 0 HG2 LYS A 49 -14.759 -2.649 6.833 1.00 24.44 H new ATOM 0 HG3 LYS A 49 -14.138 -1.652 5.533 1.00 24.44 H new ATOM 0 HD2 LYS A 49 -16.187 -2.656 4.757 1.00 13.03 H new ATOM 0 HD3 LYS A 49 -14.868 -3.417 3.889 1.00 13.03 H new ATOM 0 HE2 LYS A 49 -16.204 -5.241 4.532 1.00 61.03 H new ATOM 0 HE3 LYS A 49 -14.929 -5.238 5.736 1.00 61.03 H new ATOM 0 HZ1 LYS A 49 -17.095 -5.510 6.753 1.00 0.13 H new ATOM 0 HZ2 LYS A 49 -16.401 -4.043 7.251 1.00 0.13 H new ATOM 0 HZ3 LYS A 49 -17.635 -4.046 6.085 1.00 0.13 H new ATOM 767 N LYS A 50 -11.061 -4.189 7.982 1.00 53.42 N ATOM 768 CA LYS A 50 -10.680 -4.633 9.317 1.00 32.12 C ATOM 769 C LYS A 50 -10.274 -6.103 9.306 1.00 63.21 C ATOM 770 O LYS A 50 -9.092 -6.431 9.419 1.00 74.15 O ATOM 771 CB LYS A 50 -11.836 -4.420 10.297 1.00 31.12 C ATOM 772 CG LYS A 50 -11.553 -3.365 11.352 1.00 5.40 C ATOM 773 CD LYS A 50 -12.804 -3.012 12.139 1.00 62.04 C ATOM 774 CE LYS A 50 -12.485 -2.100 13.314 1.00 71.34 C ATOM 775 NZ LYS A 50 -13.698 -1.394 13.813 1.00 64.33 N ATOM 0 H LYS A 50 -10.996 -4.910 7.264 1.00 53.42 H new ATOM 0 HA LYS A 50 -9.824 -4.040 9.639 1.00 32.12 H new ATOM 0 HB2 LYS A 50 -12.727 -4.133 9.738 1.00 31.12 H new ATOM 0 HB3 LYS A 50 -12.061 -5.365 10.791 1.00 31.12 H new ATOM 0 HG2 LYS A 50 -10.784 -3.728 12.034 1.00 5.40 H new ATOM 0 HG3 LYS A 50 -11.158 -2.469 10.874 1.00 5.40 H new ATOM 0 HD2 LYS A 50 -13.522 -2.522 11.482 1.00 62.04 H new ATOM 0 HD3 LYS A 50 -13.276 -3.925 12.503 1.00 62.04 H new ATOM 0 HE2 LYS A 50 -12.049 -2.687 14.122 1.00 71.34 H new ATOM 0 HE3 LYS A 50 -11.737 -1.367 13.012 1.00 71.34 H new ATOM 0 HZ1 LYS A 50 -13.439 -0.783 14.613 1.00 64.33 H new ATOM 0 HZ2 LYS A 50 -14.100 -0.813 13.050 1.00 64.33 H new ATOM 0 HZ3 LYS A 50 -14.403 -2.093 14.125 1.00 64.33 H new ATOM 789 N ARG A 51 -11.259 -6.984 9.168 1.00 14.01 N ATOM 790 CA ARG A 51 -11.004 -8.419 9.142 1.00 65.03 C ATOM 791 C ARG A 51 -10.771 -8.904 7.714 1.00 44.43 C ATOM 792 O ARG A 51 -11.324 -9.920 7.293 1.00 25.50 O ATOM 793 CB ARG A 51 -12.176 -9.179 9.765 1.00 62.12 C ATOM 794 CG ARG A 51 -11.817 -10.584 10.220 1.00 35.31 C ATOM 795 CD ARG A 51 -12.359 -10.874 11.611 1.00 30.22 C ATOM 796 NE ARG A 51 -11.566 -11.884 12.308 1.00 75.04 N ATOM 797 CZ ARG A 51 -11.699 -13.190 12.106 1.00 70.24 C ATOM 798 NH1 ARG A 51 -12.588 -13.642 11.232 1.00 20.50 N ATOM 799 NH2 ARG A 51 -10.941 -14.047 12.778 1.00 70.11 N ATOM 0 H ARG A 51 -12.242 -6.729 9.072 1.00 14.01 H new ATOM 0 HA ARG A 51 -10.104 -8.613 9.725 1.00 65.03 H new ATOM 0 HB2 ARG A 51 -12.552 -8.615 10.618 1.00 62.12 H new ATOM 0 HB3 ARG A 51 -12.987 -9.237 9.039 1.00 62.12 H new ATOM 0 HG2 ARG A 51 -12.218 -11.310 9.513 1.00 35.31 H new ATOM 0 HG3 ARG A 51 -10.733 -10.703 10.218 1.00 35.31 H new ATOM 0 HD2 ARG A 51 -12.369 -9.954 12.195 1.00 30.22 H new ATOM 0 HD3 ARG A 51 -13.392 -11.214 11.534 1.00 30.22 H new ATOM 0 HE ARG A 51 -10.873 -11.569 12.987 1.00 75.04 H new ATOM 0 HH11 ARG A 51 -13.172 -12.986 10.713 1.00 20.50 H new ATOM 0 HH12 ARG A 51 -12.688 -14.645 11.079 1.00 20.50 H new ATOM 0 HH21 ARG A 51 -10.255 -13.703 13.450 1.00 70.11 H new ATOM 0 HH22 ARG A 51 -11.044 -15.050 12.622 1.00 70.11 H new ATOM 813 N THR A 52 -9.948 -8.169 6.971 1.00 13.53 N ATOM 814 CA THR A 52 -9.643 -8.522 5.591 1.00 55.44 C ATOM 815 C THR A 52 -8.231 -9.082 5.465 1.00 13.24 C ATOM 816 O THR A 52 -7.251 -8.380 5.713 1.00 23.21 O ATOM 817 CB THR A 52 -9.786 -7.306 4.655 1.00 32.13 C ATOM 818 OG1 THR A 52 -10.521 -6.267 5.311 1.00 1.34 O ATOM 819 CG2 THR A 52 -10.492 -7.696 3.365 1.00 4.11 C ATOM 0 H THR A 52 -9.481 -7.325 7.303 1.00 13.53 H new ATOM 0 HA THR A 52 -10.362 -9.286 5.295 1.00 55.44 H new ATOM 0 HB THR A 52 -8.787 -6.945 4.409 1.00 32.13 H new ATOM 0 HG1 THR A 52 -11.011 -5.742 4.644 1.00 1.34 H new ATOM 0 HG21 THR A 52 -10.581 -6.822 2.720 1.00 4.11 H new ATOM 0 HG22 THR A 52 -9.915 -8.467 2.853 1.00 4.11 H new ATOM 0 HG23 THR A 52 -11.486 -8.080 3.596 1.00 4.11 H new ATOM 827 N SER A 53 -8.135 -10.350 5.079 1.00 42.24 N ATOM 828 CA SER A 53 -6.841 -11.005 4.923 1.00 35.34 C ATOM 829 C SER A 53 -6.170 -10.580 3.621 1.00 3.02 C ATOM 830 O SER A 53 -6.723 -9.793 2.851 1.00 30.54 O ATOM 831 CB SER A 53 -7.010 -12.526 4.951 1.00 40.44 C ATOM 832 OG SER A 53 -8.230 -12.915 4.343 1.00 44.41 O ATOM 0 H SER A 53 -8.937 -10.944 4.869 1.00 42.24 H new ATOM 0 HA SER A 53 -6.205 -10.701 5.754 1.00 35.34 H new ATOM 0 HB2 SER A 53 -6.175 -12.997 4.432 1.00 40.44 H new ATOM 0 HB3 SER A 53 -6.985 -12.879 5.982 1.00 40.44 H new ATOM 0 HG SER A 53 -8.313 -13.891 4.372 1.00 44.41 H new ATOM 838 N LEU A 54 -4.973 -11.105 3.381 1.00 34.32 N ATOM 839 CA LEU A 54 -4.224 -10.781 2.172 1.00 31.13 C ATOM 840 C LEU A 54 -5.073 -11.013 0.927 1.00 71.54 C ATOM 841 O LEU A 54 -4.905 -10.336 -0.087 1.00 0.55 O ATOM 842 CB LEU A 54 -2.949 -11.622 2.098 1.00 24.33 C ATOM 843 CG LEU A 54 -2.042 -11.362 0.895 1.00 62.01 C ATOM 844 CD1 LEU A 54 -1.669 -9.890 0.816 1.00 0.30 C ATOM 845 CD2 LEU A 54 -0.792 -12.227 0.972 1.00 72.13 C ATOM 0 H LEU A 54 -4.501 -11.757 4.008 1.00 34.32 H new ATOM 0 HA LEU A 54 -3.954 -9.726 2.213 1.00 31.13 H new ATOM 0 HB2 LEU A 54 -2.372 -11.451 3.007 1.00 24.33 H new ATOM 0 HB3 LEU A 54 -3.232 -12.675 2.094 1.00 24.33 H new ATOM 0 HG LEU A 54 -2.588 -11.627 -0.011 1.00 62.01 H new ATOM 0 HD11 LEU A 54 -1.023 -9.724 -0.046 1.00 0.30 H new ATOM 0 HD12 LEU A 54 -2.573 -9.291 0.713 1.00 0.30 H new ATOM 0 HD13 LEU A 54 -1.143 -9.599 1.725 1.00 0.30 H new ATOM 0 HD21 LEU A 54 -0.158 -12.028 0.108 1.00 72.13 H new ATOM 0 HD22 LEU A 54 -0.244 -11.994 1.885 1.00 72.13 H new ATOM 0 HD23 LEU A 54 -1.077 -13.279 0.979 1.00 72.13 H new ATOM 857 N ALA A 55 -5.987 -11.975 1.010 1.00 2.05 N ATOM 858 CA ALA A 55 -6.865 -12.294 -0.108 1.00 51.23 C ATOM 859 C ALA A 55 -7.606 -11.053 -0.595 1.00 73.31 C ATOM 860 O ALA A 55 -7.891 -10.915 -1.784 1.00 32.01 O ATOM 861 CB ALA A 55 -7.854 -13.380 0.290 1.00 41.51 C ATOM 0 H ALA A 55 -6.138 -12.547 1.841 1.00 2.05 H new ATOM 0 HA ALA A 55 -6.249 -12.663 -0.928 1.00 51.23 H new ATOM 0 HB1 ALA A 55 -8.504 -13.608 -0.555 1.00 41.51 H new ATOM 0 HB2 ALA A 55 -7.310 -14.278 0.582 1.00 41.51 H new ATOM 0 HB3 ALA A 55 -8.458 -13.033 1.128 1.00 41.51 H new ATOM 867 N GLY A 56 -7.917 -10.153 0.333 1.00 41.35 N ATOM 868 CA GLY A 56 -8.623 -8.936 -0.022 1.00 53.42 C ATOM 869 C GLY A 56 -7.754 -7.966 -0.798 1.00 11.21 C ATOM 870 O GLY A 56 -8.202 -7.365 -1.774 1.00 41.00 O ATOM 0 H GLY A 56 -7.693 -10.245 1.324 1.00 41.35 H new ATOM 0 HA2 GLY A 56 -9.500 -9.189 -0.617 1.00 53.42 H new ATOM 0 HA3 GLY A 56 -8.983 -8.451 0.885 1.00 53.42 H new ATOM 874 N MET A 57 -6.508 -7.812 -0.362 1.00 51.40 N ATOM 875 CA MET A 57 -5.574 -6.907 -1.023 1.00 13.03 C ATOM 876 C MET A 57 -5.127 -7.474 -2.366 1.00 44.12 C ATOM 877 O MET A 57 -5.155 -6.782 -3.384 1.00 72.13 O ATOM 878 CB MET A 57 -4.357 -6.656 -0.131 1.00 1.32 C ATOM 879 CG MET A 57 -4.680 -5.875 1.133 1.00 72.21 C ATOM 880 SD MET A 57 -4.476 -4.096 0.922 1.00 62.21 S ATOM 881 CE MET A 57 -5.968 -3.689 0.019 1.00 41.22 C ATOM 0 H MET A 57 -6.122 -8.301 0.445 1.00 51.40 H new ATOM 0 HA MET A 57 -6.086 -5.961 -1.201 1.00 13.03 H new ATOM 0 HB2 MET A 57 -3.916 -7.614 0.146 1.00 1.32 H new ATOM 0 HB3 MET A 57 -3.604 -6.112 -0.702 1.00 1.32 H new ATOM 0 HG2 MET A 57 -5.706 -6.086 1.433 1.00 72.21 H new ATOM 0 HG3 MET A 57 -4.034 -6.217 1.942 1.00 72.21 H new ATOM 0 HE1 MET A 57 -5.704 -3.319 -0.972 1.00 41.22 H new ATOM 0 HE2 MET A 57 -6.588 -4.580 -0.080 1.00 41.22 H new ATOM 0 HE3 MET A 57 -6.521 -2.920 0.558 1.00 41.22 H new ATOM 891 N LYS A 58 -4.713 -8.737 -2.362 1.00 41.52 N ATOM 892 CA LYS A 58 -4.260 -9.398 -3.580 1.00 43.53 C ATOM 893 C LYS A 58 -5.343 -9.363 -4.653 1.00 72.04 C ATOM 894 O LYS A 58 -5.048 -9.321 -5.848 1.00 4.01 O ATOM 895 CB LYS A 58 -3.867 -10.847 -3.283 1.00 53.50 C ATOM 896 CG LYS A 58 -5.056 -11.783 -3.148 1.00 64.03 C ATOM 897 CD LYS A 58 -4.613 -13.207 -2.856 1.00 40.02 C ATOM 898 CE LYS A 58 -3.820 -13.290 -1.561 1.00 44.52 C ATOM 899 NZ LYS A 58 -4.030 -14.588 -0.864 1.00 24.42 N ATOM 0 H LYS A 58 -4.682 -9.323 -1.528 1.00 41.52 H new ATOM 0 HA LYS A 58 -3.388 -8.861 -3.952 1.00 43.53 H new ATOM 0 HB2 LYS A 58 -3.218 -11.210 -4.080 1.00 53.50 H new ATOM 0 HB3 LYS A 58 -3.286 -10.876 -2.361 1.00 53.50 H new ATOM 0 HG2 LYS A 58 -5.708 -11.432 -2.348 1.00 64.03 H new ATOM 0 HG3 LYS A 58 -5.642 -11.764 -4.067 1.00 64.03 H new ATOM 0 HD2 LYS A 58 -5.487 -13.855 -2.791 1.00 40.02 H new ATOM 0 HD3 LYS A 58 -4.004 -13.576 -3.681 1.00 40.02 H new ATOM 0 HE2 LYS A 58 -2.759 -13.161 -1.776 1.00 44.52 H new ATOM 0 HE3 LYS A 58 -4.114 -12.473 -0.902 1.00 44.52 H new ATOM 0 HZ1 LYS A 58 -3.472 -14.605 0.014 1.00 24.42 H new ATOM 0 HZ2 LYS A 58 -5.038 -14.700 -0.636 1.00 24.42 H new ATOM 0 HZ3 LYS A 58 -3.726 -15.367 -1.482 1.00 24.42 H new ATOM 913 N LYS A 59 -6.599 -9.380 -4.220 1.00 52.33 N ATOM 914 CA LYS A 59 -7.728 -9.348 -5.143 1.00 3.50 C ATOM 915 C LYS A 59 -7.660 -8.118 -6.043 1.00 0.33 C ATOM 916 O LYS A 59 -8.092 -8.155 -7.196 1.00 2.33 O ATOM 917 CB LYS A 59 -9.047 -9.353 -4.368 1.00 32.33 C ATOM 918 CG LYS A 59 -10.273 -9.483 -5.255 1.00 32.32 C ATOM 919 CD LYS A 59 -10.586 -10.938 -5.564 1.00 12.32 C ATOM 920 CE LYS A 59 -10.215 -11.296 -6.995 1.00 11.23 C ATOM 921 NZ LYS A 59 -9.908 -12.746 -7.142 1.00 14.41 N ATOM 0 H LYS A 59 -6.861 -9.416 -3.235 1.00 52.33 H new ATOM 0 HA LYS A 59 -7.678 -10.239 -5.770 1.00 3.50 H new ATOM 0 HB2 LYS A 59 -9.036 -10.177 -3.654 1.00 32.33 H new ATOM 0 HB3 LYS A 59 -9.123 -8.432 -3.790 1.00 32.33 H new ATOM 0 HG2 LYS A 59 -11.130 -9.022 -4.763 1.00 32.32 H new ATOM 0 HG3 LYS A 59 -10.109 -8.940 -6.186 1.00 32.32 H new ATOM 0 HD2 LYS A 59 -10.042 -11.583 -4.874 1.00 12.32 H new ATOM 0 HD3 LYS A 59 -11.648 -11.125 -5.405 1.00 12.32 H new ATOM 0 HE2 LYS A 59 -11.036 -11.029 -7.661 1.00 11.23 H new ATOM 0 HE3 LYS A 59 -9.350 -10.709 -7.304 1.00 11.23 H new ATOM 0 HZ1 LYS A 59 -9.660 -12.950 -8.131 1.00 14.41 H new ATOM 0 HZ2 LYS A 59 -9.108 -12.996 -6.526 1.00 14.41 H new ATOM 0 HZ3 LYS A 59 -10.741 -13.306 -6.872 1.00 14.41 H new ATOM 935 N LEU A 60 -7.115 -7.030 -5.510 1.00 4.12 N ATOM 936 CA LEU A 60 -6.989 -5.788 -6.265 1.00 63.45 C ATOM 937 C LEU A 60 -5.767 -5.828 -7.177 1.00 43.44 C ATOM 938 O LEU A 60 -5.807 -5.338 -8.307 1.00 21.33 O ATOM 939 CB LEU A 60 -6.890 -4.596 -5.312 1.00 51.15 C ATOM 940 CG LEU A 60 -8.200 -4.144 -4.665 1.00 43.24 C ATOM 941 CD1 LEU A 60 -8.536 -5.022 -3.470 1.00 63.22 C ATOM 942 CD2 LEU A 60 -8.112 -2.683 -4.248 1.00 62.01 C ATOM 0 H LEU A 60 -6.753 -6.983 -4.558 1.00 4.12 H new ATOM 0 HA LEU A 60 -7.879 -5.676 -6.885 1.00 63.45 H new ATOM 0 HB2 LEU A 60 -6.184 -4.847 -4.520 1.00 51.15 H new ATOM 0 HB3 LEU A 60 -6.468 -3.753 -5.859 1.00 51.15 H new ATOM 0 HG LEU A 60 -8.999 -4.244 -5.399 1.00 43.24 H new ATOM 0 HD11 LEU A 60 -9.471 -4.685 -3.023 1.00 63.22 H new ATOM 0 HD12 LEU A 60 -8.642 -6.056 -3.797 1.00 63.22 H new ATOM 0 HD13 LEU A 60 -7.736 -4.955 -2.733 1.00 63.22 H new ATOM 0 HD21 LEU A 60 -9.053 -2.378 -3.790 1.00 62.01 H new ATOM 0 HD22 LEU A 60 -7.301 -2.558 -3.530 1.00 62.01 H new ATOM 0 HD23 LEU A 60 -7.919 -2.065 -5.125 1.00 62.01 H new ATOM 954 N ILE A 61 -4.683 -6.414 -6.681 1.00 21.13 N ATOM 955 CA ILE A 61 -3.451 -6.520 -7.452 1.00 43.12 C ATOM 956 C ILE A 61 -2.803 -7.888 -7.269 1.00 73.43 C ATOM 957 O ILE A 61 -1.817 -8.045 -6.550 1.00 4.22 O ATOM 958 CB ILE A 61 -2.440 -5.429 -7.052 1.00 12.14 C ATOM 959 CG1 ILE A 61 -3.065 -4.041 -7.210 1.00 33.31 C ATOM 960 CG2 ILE A 61 -1.176 -5.545 -7.889 1.00 44.24 C ATOM 961 CD1 ILE A 61 -3.661 -3.498 -5.930 1.00 54.44 C ATOM 0 H ILE A 61 -4.633 -6.823 -5.748 1.00 21.13 H new ATOM 0 HA ILE A 61 -3.723 -6.386 -8.499 1.00 43.12 H new ATOM 0 HB ILE A 61 -2.172 -5.569 -6.005 1.00 12.14 H new ATOM 0 HG12 ILE A 61 -2.305 -3.348 -7.570 1.00 33.31 H new ATOM 0 HG13 ILE A 61 -3.842 -4.086 -7.973 1.00 33.31 H new ATOM 0 HG21 ILE A 61 -0.472 -4.767 -7.594 1.00 44.24 H new ATOM 0 HG22 ILE A 61 -0.723 -6.524 -7.730 1.00 44.24 H new ATOM 0 HG23 ILE A 61 -1.426 -5.428 -8.943 1.00 44.24 H new ATOM 0 HD11 ILE A 61 -4.086 -2.512 -6.116 1.00 54.44 H new ATOM 0 HD12 ILE A 61 -4.444 -4.170 -5.580 1.00 54.44 H new ATOM 0 HD13 ILE A 61 -2.883 -3.420 -5.171 1.00 54.44 H new ATOM 973 N PRO A 62 -3.369 -8.905 -7.937 1.00 15.21 N ATOM 974 CA PRO A 62 -2.863 -10.278 -7.866 1.00 64.40 C ATOM 975 C PRO A 62 -1.518 -10.437 -8.568 1.00 73.21 C ATOM 976 O PRO A 62 -1.447 -10.457 -9.796 1.00 42.21 O ATOM 977 CB PRO A 62 -3.941 -11.092 -8.586 1.00 31.13 C ATOM 978 CG PRO A 62 -4.593 -10.123 -9.510 1.00 14.42 C ATOM 979 CD PRO A 62 -4.548 -8.791 -8.813 1.00 23.02 C ATOM 0 HA PRO A 62 -2.687 -10.594 -6.838 1.00 64.40 H new ATOM 0 HB2 PRO A 62 -3.506 -11.929 -9.132 1.00 31.13 H new ATOM 0 HB3 PRO A 62 -4.659 -11.510 -7.880 1.00 31.13 H new ATOM 0 HG2 PRO A 62 -4.069 -10.082 -10.465 1.00 14.42 H new ATOM 0 HG3 PRO A 62 -5.621 -10.418 -9.723 1.00 14.42 H new ATOM 0 HD2 PRO A 62 -4.444 -7.970 -9.522 1.00 23.02 H new ATOM 0 HD3 PRO A 62 -5.457 -8.606 -8.241 1.00 23.02 H new ATOM 987 N GLY A 63 -0.454 -10.551 -7.780 1.00 4.24 N ATOM 988 CA GLY A 63 0.874 -10.707 -8.344 1.00 42.31 C ATOM 989 C GLY A 63 1.854 -9.679 -7.814 1.00 51.42 C ATOM 990 O GLY A 63 2.681 -9.157 -8.561 1.00 64.30 O ATOM 0 H GLY A 63 -0.488 -10.538 -6.761 1.00 4.24 H new ATOM 0 HA2 GLY A 63 1.245 -11.707 -8.120 1.00 42.31 H new ATOM 0 HA3 GLY A 63 0.816 -10.624 -9.429 1.00 42.31 H new ATOM 994 N ALA A 64 1.760 -9.385 -6.521 1.00 54.15 N ATOM 995 CA ALA A 64 2.645 -8.413 -5.892 1.00 51.24 C ATOM 996 C ALA A 64 3.135 -8.912 -4.538 1.00 33.55 C ATOM 997 O ALA A 64 2.637 -9.911 -4.016 1.00 65.20 O ATOM 998 CB ALA A 64 1.936 -7.075 -5.739 1.00 20.20 C ATOM 0 H ALA A 64 1.079 -9.807 -5.889 1.00 54.15 H new ATOM 0 HA ALA A 64 3.514 -8.280 -6.536 1.00 51.24 H new ATOM 0 HB1 ALA A 64 2.609 -6.359 -5.268 1.00 20.20 H new ATOM 0 HB2 ALA A 64 1.642 -6.705 -6.721 1.00 20.20 H new ATOM 0 HB3 ALA A 64 1.049 -7.202 -5.118 1.00 20.20 H new ATOM 1004 N HIS A 65 4.113 -8.212 -3.972 1.00 60.40 N ATOM 1005 CA HIS A 65 4.670 -8.586 -2.677 1.00 3.42 C ATOM 1006 C HIS A 65 3.986 -7.818 -1.550 1.00 21.25 C ATOM 1007 O HIS A 65 4.148 -6.604 -1.424 1.00 21.34 O ATOM 1008 CB HIS A 65 6.176 -8.320 -2.650 1.00 13.11 C ATOM 1009 CG HIS A 65 6.902 -9.095 -1.594 1.00 10.11 C ATOM 1010 ND1 HIS A 65 8.197 -8.816 -1.212 1.00 43.34 N ATOM 1011 CD2 HIS A 65 6.506 -10.144 -0.836 1.00 61.32 C ATOM 1012 CE1 HIS A 65 8.567 -9.661 -0.267 1.00 45.11 C ATOM 1013 NE2 HIS A 65 7.559 -10.477 -0.020 1.00 61.51 N ATOM 0 H HIS A 65 4.536 -7.383 -4.390 1.00 60.40 H new ATOM 0 HA HIS A 65 4.494 -9.651 -2.527 1.00 3.42 H new ATOM 0 HB2 HIS A 65 6.598 -8.566 -3.624 1.00 13.11 H new ATOM 0 HB3 HIS A 65 6.346 -7.255 -2.489 1.00 13.11 H new ATOM 0 HD2 HIS A 65 5.541 -10.629 -0.867 1.00 61.32 H new ATOM 0 HE1 HIS A 65 9.530 -9.681 0.221 1.00 45.11 H new ATOM 0 HE2 HIS A 65 7.562 -11.232 0.666 1.00 61.51 H new ATOM 1021 N PHE A 66 3.220 -8.534 -0.733 1.00 24.14 N ATOM 1022 CA PHE A 66 2.510 -7.920 0.383 1.00 30.21 C ATOM 1023 C PHE A 66 3.076 -8.398 1.717 1.00 0.12 C ATOM 1024 O PHE A 66 3.707 -9.451 1.793 1.00 24.32 O ATOM 1025 CB PHE A 66 1.017 -8.244 0.305 1.00 54.04 C ATOM 1026 CG PHE A 66 0.209 -7.184 -0.389 1.00 20.24 C ATOM 1027 CD1 PHE A 66 0.166 -7.122 -1.772 1.00 52.50 C ATOM 1028 CD2 PHE A 66 -0.506 -6.250 0.343 1.00 34.23 C ATOM 1029 CE1 PHE A 66 -0.577 -6.148 -2.413 1.00 43.32 C ATOM 1030 CE2 PHE A 66 -1.251 -5.275 -0.292 1.00 41.53 C ATOM 1031 CZ PHE A 66 -1.285 -5.222 -1.672 1.00 71.41 C ATOM 0 H PHE A 66 3.075 -9.540 -0.823 1.00 24.14 H new ATOM 0 HA PHE A 66 2.645 -6.840 0.317 1.00 30.21 H new ATOM 0 HB2 PHE A 66 0.886 -9.191 -0.219 1.00 54.04 H new ATOM 0 HB3 PHE A 66 0.630 -8.382 1.315 1.00 54.04 H new ATOM 0 HD1 PHE A 66 0.719 -7.843 -2.356 1.00 52.50 H new ATOM 0 HD2 PHE A 66 -0.481 -6.284 1.422 1.00 34.23 H new ATOM 0 HE1 PHE A 66 -0.604 -6.111 -3.492 1.00 43.32 H new ATOM 0 HE2 PHE A 66 -1.806 -4.555 0.290 1.00 41.53 H new ATOM 0 HZ PHE A 66 -1.864 -4.458 -2.170 1.00 71.41 H new ATOM 1041 N GLU A 67 2.845 -7.614 2.766 1.00 70.20 N ATOM 1042 CA GLU A 67 3.333 -7.956 4.097 1.00 62.53 C ATOM 1043 C GLU A 67 2.381 -7.445 5.174 1.00 51.12 C ATOM 1044 O GLU A 67 2.245 -6.238 5.376 1.00 34.24 O ATOM 1045 CB GLU A 67 4.731 -7.373 4.317 1.00 35.41 C ATOM 1046 CG GLU A 67 5.840 -8.409 4.245 1.00 44.41 C ATOM 1047 CD GLU A 67 7.026 -7.937 3.425 1.00 14.01 C ATOM 1048 OE1 GLU A 67 7.767 -7.054 3.906 1.00 75.25 O ATOM 1049 OE2 GLU A 67 7.212 -8.452 2.302 1.00 10.44 O ATOM 0 H GLU A 67 2.323 -6.739 2.720 1.00 70.20 H new ATOM 0 HA GLU A 67 3.385 -9.042 4.169 1.00 62.53 H new ATOM 0 HB2 GLU A 67 4.916 -6.602 3.569 1.00 35.41 H new ATOM 0 HB3 GLU A 67 4.763 -6.886 5.291 1.00 35.41 H new ATOM 0 HG2 GLU A 67 6.173 -8.650 5.254 1.00 44.41 H new ATOM 0 HG3 GLU A 67 5.446 -9.328 3.812 1.00 44.41 H new ATOM 1056 N LYS A 68 1.723 -8.372 5.862 1.00 0.31 N ATOM 1057 CA LYS A 68 0.784 -8.017 6.919 1.00 35.33 C ATOM 1058 C LYS A 68 1.452 -8.091 8.288 1.00 32.45 C ATOM 1059 O LYS A 68 0.791 -7.966 9.320 1.00 60.44 O ATOM 1060 CB LYS A 68 -0.432 -8.946 6.882 1.00 21.43 C ATOM 1061 CG LYS A 68 -1.534 -8.545 7.847 1.00 11.31 C ATOM 1062 CD LYS A 68 -1.627 -9.507 9.020 1.00 45.51 C ATOM 1063 CE LYS A 68 -2.179 -8.821 10.260 1.00 31.54 C ATOM 1064 NZ LYS A 68 -3.336 -9.563 10.834 1.00 12.52 N ATOM 0 H LYS A 68 1.823 -9.375 5.706 1.00 0.31 H new ATOM 0 HA LYS A 68 0.456 -6.991 6.750 1.00 35.33 H new ATOM 0 HB2 LYS A 68 -0.835 -8.962 5.870 1.00 21.43 H new ATOM 0 HB3 LYS A 68 -0.110 -9.961 7.113 1.00 21.43 H new ATOM 0 HG2 LYS A 68 -1.346 -7.537 8.216 1.00 11.31 H new ATOM 0 HG3 LYS A 68 -2.488 -8.519 7.320 1.00 11.31 H new ATOM 0 HD2 LYS A 68 -2.267 -10.348 8.753 1.00 45.51 H new ATOM 0 HD3 LYS A 68 -0.640 -9.914 9.237 1.00 45.51 H new ATOM 0 HE2 LYS A 68 -1.392 -8.738 11.010 1.00 31.54 H new ATOM 0 HE3 LYS A 68 -2.487 -7.806 10.007 1.00 31.54 H new ATOM 0 HZ1 LYS A 68 -3.684 -9.064 11.678 1.00 12.52 H new ATOM 0 HZ2 LYS A 68 -4.097 -9.621 10.127 1.00 12.52 H new ATOM 0 HZ3 LYS A 68 -3.036 -10.523 11.099 1.00 12.52 H new ATOM 1078 N ARG A 69 2.765 -8.294 8.291 1.00 63.14 N ATOM 1079 CA ARG A 69 3.522 -8.384 9.533 1.00 24.32 C ATOM 1080 C ARG A 69 3.955 -7.000 10.008 1.00 65.24 C ATOM 1081 O ARG A 69 4.871 -6.870 10.820 1.00 21.02 O ATOM 1082 CB ARG A 69 4.750 -9.277 9.344 1.00 71.42 C ATOM 1083 CG ARG A 69 4.426 -10.762 9.327 1.00 71.35 C ATOM 1084 CD ARG A 69 5.672 -11.602 9.089 1.00 55.51 C ATOM 1085 NE ARG A 69 6.489 -11.720 10.293 1.00 65.21 N ATOM 1086 CZ ARG A 69 7.656 -12.355 10.329 1.00 34.35 C ATOM 1087 NH1 ARG A 69 8.138 -12.926 9.234 1.00 3.42 N ATOM 1088 NH2 ARG A 69 8.342 -12.420 11.463 1.00 32.34 N ATOM 0 H ARG A 69 3.327 -8.399 7.446 1.00 63.14 H new ATOM 0 HA ARG A 69 2.875 -8.824 10.292 1.00 24.32 H new ATOM 0 HB2 ARG A 69 5.242 -9.010 8.409 1.00 71.42 H new ATOM 0 HB3 ARG A 69 5.461 -9.078 10.146 1.00 71.42 H new ATOM 0 HG2 ARG A 69 3.970 -11.047 10.275 1.00 71.35 H new ATOM 0 HG3 ARG A 69 3.693 -10.967 8.546 1.00 71.35 H new ATOM 0 HD2 ARG A 69 5.380 -12.596 8.750 1.00 55.51 H new ATOM 0 HD3 ARG A 69 6.264 -11.154 8.291 1.00 55.51 H new ATOM 0 HE ARG A 69 6.146 -11.292 11.153 1.00 65.21 H new ATOM 0 HH11 ARG A 69 7.613 -12.879 8.361 1.00 3.42 H new ATOM 0 HH12 ARG A 69 9.034 -13.413 9.265 1.00 3.42 H new ATOM 0 HH21 ARG A 69 7.974 -11.983 12.308 1.00 32.34 H new ATOM 0 HH22 ARG A 69 9.238 -12.907 11.490 1.00 32.34 H new ATOM 1102 N ARG A 70 3.291 -5.970 9.494 1.00 5.22 N ATOM 1103 CA ARG A 70 3.609 -4.596 9.864 1.00 51.32 C ATOM 1104 C ARG A 70 5.115 -4.409 10.021 1.00 22.13 C ATOM 1105 O ARG A 70 5.639 -4.420 11.134 1.00 24.22 O ATOM 1106 CB ARG A 70 2.899 -4.218 11.165 1.00 13.10 C ATOM 1107 CG ARG A 70 3.045 -5.259 12.263 1.00 54.01 C ATOM 1108 CD ARG A 70 2.365 -4.812 13.548 1.00 24.20 C ATOM 1109 NE ARG A 70 2.768 -5.627 14.691 1.00 14.14 N ATOM 1110 CZ ARG A 70 2.535 -5.287 15.954 1.00 14.02 C ATOM 1111 NH1 ARG A 70 1.905 -4.154 16.234 1.00 72.30 N ATOM 1112 NH2 ARG A 70 2.931 -6.081 16.940 1.00 24.24 N ATOM 0 H ARG A 70 2.530 -6.061 8.821 1.00 5.22 H new ATOM 0 HA ARG A 70 3.261 -3.942 9.065 1.00 51.32 H new ATOM 0 HB2 ARG A 70 3.295 -3.267 11.522 1.00 13.10 H new ATOM 0 HB3 ARG A 70 1.840 -4.065 10.960 1.00 13.10 H new ATOM 0 HG2 ARG A 70 2.613 -6.203 11.931 1.00 54.01 H new ATOM 0 HG3 ARG A 70 4.102 -5.442 12.454 1.00 54.01 H new ATOM 0 HD2 ARG A 70 2.609 -3.768 13.743 1.00 24.20 H new ATOM 0 HD3 ARG A 70 1.283 -4.869 13.425 1.00 24.20 H new ATOM 0 HE ARG A 70 3.255 -6.505 14.510 1.00 14.14 H new ATOM 0 HH11 ARG A 70 1.598 -3.541 15.479 1.00 72.30 H new ATOM 0 HH12 ARG A 70 1.727 -3.896 17.205 1.00 72.30 H new ATOM 0 HH21 ARG A 70 3.415 -6.954 16.729 1.00 24.24 H new ATOM 0 HH22 ARG A 70 2.752 -5.819 17.909 1.00 24.24 H new ATOM 1126 N GLY A 71 5.806 -4.238 8.898 1.00 71.30 N ATOM 1127 CA GLY A 71 7.245 -4.053 8.933 1.00 52.30 C ATOM 1128 C GLY A 71 7.661 -2.917 9.847 1.00 71.13 C ATOM 1129 O GLY A 71 8.805 -2.861 10.300 1.00 35.32 O ATOM 0 H GLY A 71 5.395 -4.224 7.965 1.00 71.30 H new ATOM 0 HA2 GLY A 71 7.719 -4.976 9.267 1.00 52.30 H new ATOM 0 HA3 GLY A 71 7.608 -3.855 7.924 1.00 52.30 H new ATOM 1133 N THR A 72 6.731 -2.006 10.118 1.00 71.43 N ATOM 1134 CA THR A 72 7.007 -0.865 10.981 1.00 45.03 C ATOM 1135 C THR A 72 5.716 -0.220 11.470 1.00 51.10 C ATOM 1136 O THR A 72 5.668 0.985 11.715 1.00 41.23 O ATOM 1137 CB THR A 72 7.855 0.196 10.254 1.00 11.40 C ATOM 1138 OG1 THR A 72 8.365 -0.339 9.028 1.00 22.41 O ATOM 1139 CG2 THR A 72 9.009 0.660 11.130 1.00 11.10 C ATOM 0 H THR A 72 5.780 -2.037 9.752 1.00 71.43 H new ATOM 0 HA THR A 72 7.567 -1.243 11.836 1.00 45.03 H new ATOM 0 HB THR A 72 7.217 1.053 10.038 1.00 11.40 H new ATOM 0 HG1 THR A 72 8.901 0.343 8.572 1.00 22.41 H new ATOM 0 HG21 THR A 72 9.593 1.409 10.595 1.00 11.10 H new ATOM 0 HG22 THR A 72 8.616 1.095 12.049 1.00 11.10 H new ATOM 0 HG23 THR A 72 9.645 -0.191 11.374 1.00 11.10 H new ATOM 1147 N GLN A 73 4.672 -1.030 11.611 1.00 53.03 N ATOM 1148 CA GLN A 73 3.379 -0.536 12.071 1.00 22.42 C ATOM 1149 C GLN A 73 2.945 0.685 11.268 1.00 43.22 C ATOM 1150 O GLN A 73 3.530 0.999 10.232 1.00 2.21 O ATOM 1151 CB GLN A 73 3.444 -0.186 13.559 1.00 72.51 C ATOM 1152 CG GLN A 73 4.137 -1.244 14.403 1.00 35.01 C ATOM 1153 CD GLN A 73 5.627 -1.002 14.534 1.00 64.24 C ATOM 1154 OE1 GLN A 73 6.434 -1.657 13.873 1.00 43.54 O ATOM 1155 NE2 GLN A 73 6.002 -0.058 15.389 1.00 34.12 N ATOM 0 H GLN A 73 4.696 -2.030 11.414 1.00 53.03 H new ATOM 0 HA GLN A 73 2.643 -1.326 11.922 1.00 22.42 H new ATOM 0 HB2 GLN A 73 3.968 0.762 13.678 1.00 72.51 H new ATOM 0 HB3 GLN A 73 2.431 -0.040 13.934 1.00 72.51 H new ATOM 0 HG2 GLN A 73 3.687 -1.263 15.396 1.00 35.01 H new ATOM 0 HG3 GLN A 73 3.970 -2.225 13.958 1.00 35.01 H new ATOM 0 HE21 GLN A 73 5.300 0.461 15.916 1.00 34.12 H new ATOM 0 HE22 GLN A 73 6.992 0.149 15.518 1.00 34.12 H new ATOM 1164 N GLY A 74 1.915 1.371 11.753 1.00 54.11 N ATOM 1165 CA GLY A 74 1.420 2.550 11.067 1.00 54.30 C ATOM 1166 C GLY A 74 2.448 3.662 11.010 1.00 41.32 C ATOM 1167 O GLY A 74 2.299 4.615 10.246 1.00 54.22 O ATOM 0 H GLY A 74 1.414 1.131 12.609 1.00 54.11 H new ATOM 0 HA2 GLY A 74 1.125 2.280 10.053 1.00 54.30 H new ATOM 0 HA3 GLY A 74 0.525 2.912 11.573 1.00 54.30 H new ATOM 1171 N GLU A 75 3.494 3.541 11.821 1.00 10.44 N ATOM 1172 CA GLU A 75 4.550 4.547 11.861 1.00 74.42 C ATOM 1173 C GLU A 75 5.206 4.700 10.492 1.00 63.11 C ATOM 1174 O GLU A 75 5.733 5.761 10.160 1.00 4.30 O ATOM 1175 CB GLU A 75 5.603 4.171 12.905 1.00 42.10 C ATOM 1176 CG GLU A 75 5.900 5.283 13.897 1.00 43.00 C ATOM 1177 CD GLU A 75 7.239 5.107 14.586 1.00 4.44 C ATOM 1178 OE1 GLU A 75 7.765 3.975 14.580 1.00 64.45 O ATOM 1179 OE2 GLU A 75 7.761 6.102 15.133 1.00 61.43 O ATOM 0 H GLU A 75 3.633 2.757 12.459 1.00 10.44 H new ATOM 0 HA GLU A 75 4.100 5.500 12.138 1.00 74.42 H new ATOM 0 HB2 GLU A 75 5.264 3.290 13.450 1.00 42.10 H new ATOM 0 HB3 GLU A 75 6.526 3.894 12.395 1.00 42.10 H new ATOM 0 HG2 GLU A 75 5.886 6.241 13.378 1.00 43.00 H new ATOM 0 HG3 GLU A 75 5.111 5.315 14.648 1.00 43.00 H new ATOM 1186 N ALA A 76 5.171 3.632 9.702 1.00 34.31 N ATOM 1187 CA ALA A 76 5.760 3.647 8.369 1.00 4.13 C ATOM 1188 C ALA A 76 5.045 4.644 7.464 1.00 42.21 C ATOM 1189 O ALA A 76 5.544 4.994 6.394 1.00 1.32 O ATOM 1190 CB ALA A 76 5.721 2.254 7.759 1.00 51.15 C ATOM 0 H ALA A 76 4.740 2.745 9.963 1.00 34.31 H new ATOM 0 HA ALA A 76 6.799 3.962 8.461 1.00 4.13 H new ATOM 0 HB1 ALA A 76 6.164 2.280 6.763 1.00 51.15 H new ATOM 0 HB2 ALA A 76 6.284 1.565 8.389 1.00 51.15 H new ATOM 0 HB3 ALA A 76 4.687 1.917 7.687 1.00 51.15 H new ATOM 1196 N ARG A 77 3.874 5.097 7.899 1.00 1.21 N ATOM 1197 CA ARG A 77 3.090 6.053 7.126 1.00 34.24 C ATOM 1198 C ARG A 77 3.803 7.399 7.042 1.00 53.14 C ATOM 1199 O ARG A 77 3.524 8.205 6.154 1.00 4.23 O ATOM 1200 CB ARG A 77 1.706 6.235 7.754 1.00 63.12 C ATOM 1201 CG ARG A 77 1.706 7.139 8.976 1.00 70.23 C ATOM 1202 CD ARG A 77 1.216 8.537 8.634 1.00 42.30 C ATOM 1203 NE ARG A 77 -0.210 8.699 8.903 1.00 32.31 N ATOM 1204 CZ ARG A 77 -0.708 8.939 10.111 1.00 25.33 C ATOM 1205 NH1 ARG A 77 0.102 9.045 11.156 1.00 70.01 N ATOM 1206 NH2 ARG A 77 -2.017 9.073 10.276 1.00 12.42 N ATOM 0 H ARG A 77 3.447 4.818 8.782 1.00 1.21 H new ATOM 0 HA ARG A 77 2.975 5.659 6.116 1.00 34.24 H new ATOM 0 HB2 ARG A 77 1.029 6.648 7.007 1.00 63.12 H new ATOM 0 HB3 ARG A 77 1.313 5.258 8.035 1.00 63.12 H new ATOM 0 HG2 ARG A 77 1.070 6.708 9.749 1.00 70.23 H new ATOM 0 HG3 ARG A 77 2.714 7.196 9.388 1.00 70.23 H new ATOM 0 HD2 ARG A 77 1.779 9.270 9.212 1.00 42.30 H new ATOM 0 HD3 ARG A 77 1.412 8.742 7.582 1.00 42.30 H new ATOM 0 HE ARG A 77 -0.860 8.624 8.120 1.00 32.31 H new ATOM 0 HH11 ARG A 77 1.109 8.942 11.033 1.00 70.01 H new ATOM 0 HH12 ARG A 77 -0.282 9.229 12.083 1.00 70.01 H new ATOM 0 HH21 ARG A 77 -2.643 8.992 9.475 1.00 12.42 H new ATOM 0 HH22 ARG A 77 -2.398 9.257 11.204 1.00 12.42 H new ATOM 1220 N ALA A 78 4.723 7.635 7.971 1.00 50.11 N ATOM 1221 CA ALA A 78 5.477 8.882 8.000 1.00 13.32 C ATOM 1222 C ALA A 78 6.656 8.834 7.034 1.00 12.14 C ATOM 1223 O ALA A 78 6.794 9.695 6.165 1.00 72.54 O ATOM 1224 CB ALA A 78 5.961 9.173 9.413 1.00 11.30 C ATOM 0 H ALA A 78 4.964 6.979 8.714 1.00 50.11 H new ATOM 0 HA ALA A 78 4.814 9.686 7.682 1.00 13.32 H new ATOM 0 HB1 ALA A 78 6.523 10.107 9.420 1.00 11.30 H new ATOM 0 HB2 ALA A 78 5.104 9.260 10.081 1.00 11.30 H new ATOM 0 HB3 ALA A 78 6.604 8.361 9.752 1.00 11.30 H new ATOM 1230 N TYR A 79 7.504 7.824 7.193 1.00 35.13 N ATOM 1231 CA TYR A 79 8.673 7.666 6.337 1.00 21.31 C ATOM 1232 C TYR A 79 8.263 7.266 4.923 1.00 30.20 C ATOM 1233 O TYR A 79 8.796 7.781 3.941 1.00 41.53 O ATOM 1234 CB TYR A 79 9.621 6.617 6.921 1.00 33.42 C ATOM 1235 CG TYR A 79 10.017 5.542 5.934 1.00 33.11 C ATOM 1236 CD1 TYR A 79 10.967 5.790 4.951 1.00 54.42 C ATOM 1237 CD2 TYR A 79 9.441 4.279 5.984 1.00 74.41 C ATOM 1238 CE1 TYR A 79 11.331 4.812 4.046 1.00 21.13 C ATOM 1239 CE2 TYR A 79 9.800 3.294 5.085 1.00 61.35 C ATOM 1240 CZ TYR A 79 10.746 3.565 4.118 1.00 55.14 C ATOM 1241 OH TYR A 79 11.105 2.587 3.219 1.00 43.01 O ATOM 0 H TYR A 79 7.403 7.103 7.907 1.00 35.13 H new ATOM 0 HA TYR A 79 9.188 8.625 6.289 1.00 21.31 H new ATOM 0 HB2 TYR A 79 10.520 7.114 7.284 1.00 33.42 H new ATOM 0 HB3 TYR A 79 9.145 6.149 7.783 1.00 33.42 H new ATOM 0 HD1 TYR A 79 11.429 6.765 4.893 1.00 54.42 H new ATOM 0 HD2 TYR A 79 8.699 4.064 6.739 1.00 74.41 H new ATOM 0 HE1 TYR A 79 12.069 5.023 3.286 1.00 21.13 H new ATOM 0 HE2 TYR A 79 9.343 2.317 5.139 1.00 61.35 H new ATOM 0 HH TYR A 79 10.601 1.768 3.408 1.00 43.01 H new ATOM 1251 N SER A 80 7.311 6.343 4.829 1.00 51.13 N ATOM 1252 CA SER A 80 6.830 5.870 3.536 1.00 51.31 C ATOM 1253 C SER A 80 7.944 5.168 2.766 1.00 71.14 C ATOM 1254 O SER A 80 8.083 3.947 2.830 1.00 23.10 O ATOM 1255 CB SER A 80 6.284 7.039 2.713 1.00 74.30 C ATOM 1256 OG SER A 80 4.881 7.162 2.871 1.00 73.21 O ATOM 0 H SER A 80 6.858 5.908 5.633 1.00 51.13 H new ATOM 0 HA SER A 80 6.028 5.154 3.714 1.00 51.31 H new ATOM 0 HB2 SER A 80 6.771 7.964 3.022 1.00 74.30 H new ATOM 0 HB3 SER A 80 6.523 6.890 1.660 1.00 74.30 H new ATOM 0 HG SER A 80 4.641 8.110 2.932 1.00 73.21 H new ATOM 1262 N MET A 81 8.734 5.949 2.037 1.00 5.20 N ATOM 1263 CA MET A 81 9.837 5.403 1.255 1.00 63.03 C ATOM 1264 C MET A 81 11.065 6.304 1.342 1.00 12.33 C ATOM 1265 O MET A 81 11.118 7.220 2.164 1.00 64.30 O ATOM 1266 CB MET A 81 9.419 5.232 -0.207 1.00 13.42 C ATOM 1267 CG MET A 81 8.104 4.489 -0.380 1.00 10.34 C ATOM 1268 SD MET A 81 6.765 5.565 -0.930 1.00 22.34 S ATOM 1269 CE MET A 81 5.431 5.013 0.130 1.00 74.54 C ATOM 0 H MET A 81 8.631 6.962 1.971 1.00 5.20 H new ATOM 0 HA MET A 81 10.094 4.428 1.669 1.00 63.03 H new ATOM 0 HB2 MET A 81 9.335 6.215 -0.670 1.00 13.42 H new ATOM 0 HB3 MET A 81 10.203 4.695 -0.740 1.00 13.42 H new ATOM 0 HG2 MET A 81 8.238 3.684 -1.103 1.00 10.34 H new ATOM 0 HG3 MET A 81 7.826 4.025 0.566 1.00 10.34 H new ATOM 0 HE1 MET A 81 4.477 5.337 -0.287 1.00 74.54 H new ATOM 0 HE2 MET A 81 5.447 3.925 0.198 1.00 74.54 H new ATOM 0 HE3 MET A 81 5.556 5.441 1.125 1.00 74.54 H new ATOM 1279 N LYS A 82 12.050 6.040 0.491 1.00 73.43 N ATOM 1280 CA LYS A 82 13.277 6.827 0.471 1.00 72.24 C ATOM 1281 C LYS A 82 13.191 7.942 -0.566 1.00 52.23 C ATOM 1282 O LYS A 82 12.942 7.688 -1.744 1.00 45.23 O ATOM 1283 CB LYS A 82 14.479 5.928 0.170 1.00 13.42 C ATOM 1284 CG LYS A 82 15.622 6.092 1.157 1.00 71.32 C ATOM 1285 CD LYS A 82 16.092 4.750 1.692 1.00 24.23 C ATOM 1286 CE LYS A 82 16.676 4.881 3.091 1.00 40.33 C ATOM 1287 NZ LYS A 82 17.009 3.555 3.680 1.00 70.33 N ATOM 0 H LYS A 82 12.022 5.286 -0.195 1.00 73.43 H new ATOM 0 HA LYS A 82 13.406 7.278 1.455 1.00 72.24 H new ATOM 0 HB2 LYS A 82 14.154 4.888 0.173 1.00 13.42 H new ATOM 0 HB3 LYS A 82 14.843 6.146 -0.834 1.00 13.42 H new ATOM 0 HG2 LYS A 82 16.453 6.603 0.671 1.00 71.32 H new ATOM 0 HG3 LYS A 82 15.301 6.723 1.986 1.00 71.32 H new ATOM 0 HD2 LYS A 82 15.256 4.051 1.710 1.00 24.23 H new ATOM 0 HD3 LYS A 82 16.842 4.332 1.021 1.00 24.23 H new ATOM 0 HE2 LYS A 82 17.574 5.497 3.053 1.00 40.33 H new ATOM 0 HE3 LYS A 82 15.963 5.396 3.735 1.00 40.33 H new ATOM 0 HZ1 LYS A 82 17.404 3.688 4.633 1.00 70.33 H new ATOM 0 HZ2 LYS A 82 16.147 2.976 3.740 1.00 70.33 H new ATOM 0 HZ3 LYS A 82 17.709 3.074 3.079 1.00 70.33 H new ATOM 1301 N GLU A 83 13.399 9.177 -0.120 1.00 20.15 N ATOM 1302 CA GLU A 83 13.345 10.330 -1.010 1.00 44.04 C ATOM 1303 C GLU A 83 14.437 10.248 -2.073 1.00 63.22 C ATOM 1304 O GLU A 83 14.242 10.669 -3.213 1.00 75.45 O ATOM 1305 CB GLU A 83 13.492 11.627 -0.212 1.00 25.23 C ATOM 1306 CG GLU A 83 12.590 12.748 -0.699 1.00 35.51 C ATOM 1307 CD GLU A 83 11.688 13.287 0.394 1.00 11.33 C ATOM 1308 OE1 GLU A 83 11.111 12.471 1.144 1.00 43.34 O ATOM 1309 OE2 GLU A 83 11.559 14.525 0.501 1.00 73.35 O ATOM 0 H GLU A 83 13.606 9.404 0.852 1.00 20.15 H new ATOM 0 HA GLU A 83 12.375 10.327 -1.508 1.00 44.04 H new ATOM 0 HB2 GLU A 83 13.272 11.425 0.836 1.00 25.23 H new ATOM 0 HB3 GLU A 83 14.529 11.959 -0.262 1.00 25.23 H new ATOM 0 HG2 GLU A 83 13.204 13.559 -1.091 1.00 35.51 H new ATOM 0 HG3 GLU A 83 11.978 12.384 -1.524 1.00 35.51 H new ATOM 1316 N ASP A 84 15.587 9.704 -1.690 1.00 61.45 N ATOM 1317 CA ASP A 84 16.711 9.565 -2.610 1.00 11.25 C ATOM 1318 C ASP A 84 16.318 8.733 -3.826 1.00 44.14 C ATOM 1319 O ASP A 84 16.916 8.857 -4.896 1.00 73.13 O ATOM 1320 CB ASP A 84 17.902 8.921 -1.899 1.00 3.43 C ATOM 1321 CG ASP A 84 18.786 9.942 -1.209 1.00 51.32 C ATOM 1322 OD1 ASP A 84 19.497 10.687 -1.917 1.00 34.31 O ATOM 1323 OD2 ASP A 84 18.766 9.998 0.038 1.00 60.40 O ATOM 0 H ASP A 84 15.766 9.352 -0.749 1.00 61.45 H new ATOM 0 HA ASP A 84 16.996 10.561 -2.950 1.00 11.25 H new ATOM 0 HB2 ASP A 84 17.538 8.204 -1.163 1.00 3.43 H new ATOM 0 HB3 ASP A 84 18.495 8.362 -2.623 1.00 3.43 H new ATOM 1328 N THR A 85 15.310 7.883 -3.656 1.00 4.21 N ATOM 1329 CA THR A 85 14.839 7.029 -4.739 1.00 24.14 C ATOM 1330 C THR A 85 13.374 7.304 -5.058 1.00 63.50 C ATOM 1331 O THR A 85 12.757 6.590 -5.849 1.00 65.11 O ATOM 1332 CB THR A 85 15.006 5.538 -4.391 1.00 25.31 C ATOM 1333 OG1 THR A 85 15.966 5.384 -3.339 1.00 42.43 O ATOM 1334 CG2 THR A 85 15.452 4.744 -5.610 1.00 54.32 C ATOM 0 H THR A 85 14.804 7.768 -2.778 1.00 4.21 H new ATOM 0 HA THR A 85 15.448 7.261 -5.613 1.00 24.14 H new ATOM 0 HB THR A 85 14.040 5.155 -4.060 1.00 25.31 H new ATOM 0 HG1 THR A 85 16.065 4.433 -3.123 1.00 42.43 H new ATOM 0 HG21 THR A 85 15.563 3.694 -5.340 1.00 54.32 H new ATOM 0 HG22 THR A 85 14.706 4.838 -6.399 1.00 54.32 H new ATOM 0 HG23 THR A 85 16.407 5.130 -5.966 1.00 54.32 H new ATOM 1342 N ARG A 86 12.823 8.342 -4.439 1.00 0.14 N ATOM 1343 CA ARG A 86 11.429 8.710 -4.657 1.00 44.31 C ATOM 1344 C ARG A 86 11.260 9.429 -5.993 1.00 31.34 C ATOM 1345 O ARG A 86 11.965 10.396 -6.283 1.00 70.15 O ATOM 1346 CB ARG A 86 10.931 9.603 -3.519 1.00 20.31 C ATOM 1347 CG ARG A 86 9.427 9.822 -3.531 1.00 30.34 C ATOM 1348 CD ARG A 86 8.870 9.940 -2.120 1.00 43.15 C ATOM 1349 NE ARG A 86 8.435 11.301 -1.816 1.00 63.32 N ATOM 1350 CZ ARG A 86 8.287 11.766 -0.581 1.00 3.01 C ATOM 1351 NH1 ARG A 86 8.539 10.984 0.460 1.00 14.21 N ATOM 1352 NH2 ARG A 86 7.888 13.016 -0.385 1.00 13.01 N ATOM 0 H ARG A 86 13.320 8.944 -3.782 1.00 0.14 H new ATOM 0 HA ARG A 86 10.836 7.795 -4.678 1.00 44.31 H new ATOM 0 HB2 ARG A 86 11.217 9.157 -2.567 1.00 20.31 H new ATOM 0 HB3 ARG A 86 11.431 10.570 -3.581 1.00 20.31 H new ATOM 0 HG2 ARG A 86 9.194 10.727 -4.092 1.00 30.34 H new ATOM 0 HG3 ARG A 86 8.942 8.994 -4.047 1.00 30.34 H new ATOM 0 HD2 ARG A 86 8.029 9.256 -2.004 1.00 43.15 H new ATOM 0 HD3 ARG A 86 9.632 9.634 -1.403 1.00 43.15 H new ATOM 0 HE ARG A 86 8.234 11.928 -2.595 1.00 63.32 H new ATOM 0 HH11 ARG A 86 8.847 10.023 0.313 1.00 14.21 H new ATOM 0 HH12 ARG A 86 8.425 11.344 1.408 1.00 14.21 H new ATOM 0 HH21 ARG A 86 7.695 13.621 -1.183 1.00 13.01 H new ATOM 0 HH22 ARG A 86 7.775 13.372 0.564 1.00 13.01 H new ATOM 1366 N LEU A 87 10.321 8.949 -6.801 1.00 43.22 N ATOM 1367 CA LEU A 87 10.059 9.545 -8.107 1.00 20.12 C ATOM 1368 C LEU A 87 8.880 10.510 -8.038 1.00 74.32 C ATOM 1369 O LEU A 87 9.011 11.689 -8.364 1.00 70.12 O ATOM 1370 CB LEU A 87 9.780 8.453 -9.141 1.00 34.32 C ATOM 1371 CG LEU A 87 10.645 8.484 -10.401 1.00 2.11 C ATOM 1372 CD1 LEU A 87 10.143 7.472 -11.419 1.00 11.11 C ATOM 1373 CD2 LEU A 87 10.663 9.883 -11.001 1.00 25.44 C ATOM 0 H LEU A 87 9.729 8.150 -6.575 1.00 43.22 H new ATOM 0 HA LEU A 87 10.945 10.104 -8.409 1.00 20.12 H new ATOM 0 HB2 LEU A 87 9.909 7.484 -8.660 1.00 34.32 H new ATOM 0 HB3 LEU A 87 8.734 8.523 -9.441 1.00 34.32 H new ATOM 0 HG LEU A 87 11.665 8.215 -10.125 1.00 2.11 H new ATOM 0 HD11 LEU A 87 10.771 7.509 -12.309 1.00 11.11 H new ATOM 0 HD12 LEU A 87 10.183 6.472 -10.988 1.00 11.11 H new ATOM 0 HD13 LEU A 87 9.114 7.709 -11.691 1.00 11.11 H new ATOM 0 HD21 LEU A 87 11.283 9.887 -11.897 1.00 25.44 H new ATOM 0 HD22 LEU A 87 9.647 10.180 -11.262 1.00 25.44 H new ATOM 0 HD23 LEU A 87 11.071 10.585 -10.274 1.00 25.44 H new ATOM 1385 N GLU A 88 7.729 10.000 -7.610 1.00 11.21 N ATOM 1386 CA GLU A 88 6.527 10.818 -7.497 1.00 0.20 C ATOM 1387 C GLU A 88 5.837 10.589 -6.155 1.00 41.23 C ATOM 1388 O GLU A 88 6.239 9.725 -5.378 1.00 23.04 O ATOM 1389 CB GLU A 88 5.560 10.504 -8.640 1.00 60.33 C ATOM 1390 CG GLU A 88 4.985 11.741 -9.309 1.00 42.11 C ATOM 1391 CD GLU A 88 4.348 11.436 -10.651 1.00 2.40 C ATOM 1392 OE1 GLU A 88 4.739 10.429 -11.277 1.00 61.03 O ATOM 1393 OE2 GLU A 88 3.460 12.205 -11.075 1.00 31.41 O ATOM 0 H GLU A 88 7.604 9.025 -7.336 1.00 11.21 H new ATOM 0 HA GLU A 88 6.824 11.865 -7.559 1.00 0.20 H new ATOM 0 HB2 GLU A 88 6.078 9.904 -9.388 1.00 60.33 H new ATOM 0 HB3 GLU A 88 4.741 9.896 -8.255 1.00 60.33 H new ATOM 0 HG2 GLU A 88 4.241 12.192 -8.652 1.00 42.11 H new ATOM 0 HG3 GLU A 88 5.777 12.477 -9.446 1.00 42.11 H new ATOM 1400 N GLY A 89 4.795 11.372 -5.891 1.00 71.40 N ATOM 1401 CA GLY A 89 4.066 11.240 -4.643 1.00 72.32 C ATOM 1402 C GLY A 89 4.573 12.185 -3.573 1.00 10.44 C ATOM 1403 O GLY A 89 5.373 13.083 -3.836 1.00 1.43 O ATOM 0 H GLY A 89 4.443 12.095 -6.519 1.00 71.40 H new ATOM 0 HA2 GLY A 89 3.008 11.432 -4.822 1.00 72.32 H new ATOM 0 HA3 GLY A 89 4.147 10.214 -4.285 1.00 72.32 H new ATOM 1407 N PRO A 90 4.101 11.989 -2.332 1.00 43.14 N ATOM 1408 CA PRO A 90 3.148 10.924 -2.007 1.00 51.05 C ATOM 1409 C PRO A 90 1.766 11.183 -2.598 1.00 10.35 C ATOM 1410 O PRO A 90 1.508 12.252 -3.150 1.00 54.44 O ATOM 1411 CB PRO A 90 3.091 10.954 -0.478 1.00 75.21 C ATOM 1412 CG PRO A 90 3.472 12.347 -0.112 1.00 32.42 C ATOM 1413 CD PRO A 90 4.462 12.792 -1.152 1.00 1.01 C ATOM 0 HA PRO A 90 3.456 9.962 -2.416 1.00 51.05 H new ATOM 0 HB2 PRO A 90 2.093 10.708 -0.114 1.00 75.21 H new ATOM 0 HB3 PRO A 90 3.777 10.228 -0.042 1.00 75.21 H new ATOM 0 HG2 PRO A 90 2.599 13.000 -0.099 1.00 32.42 H new ATOM 0 HG3 PRO A 90 3.911 12.382 0.885 1.00 32.42 H new ATOM 0 HD2 PRO A 90 4.381 13.860 -1.353 1.00 1.01 H new ATOM 0 HD3 PRO A 90 5.488 12.604 -0.837 1.00 1.01 H new ATOM 1421 N TRP A 91 0.882 10.200 -2.476 1.00 62.50 N ATOM 1422 CA TRP A 91 -0.474 10.322 -2.998 1.00 14.34 C ATOM 1423 C TRP A 91 -1.482 9.684 -2.048 1.00 55.32 C ATOM 1424 O TRP A 91 -1.267 8.579 -1.552 1.00 4.32 O ATOM 1425 CB TRP A 91 -0.573 9.671 -4.378 1.00 43.43 C ATOM 1426 CG TRP A 91 0.046 10.494 -5.468 1.00 71.31 C ATOM 1427 CD1 TRP A 91 0.013 11.854 -5.588 1.00 20.23 C ATOM 1428 CD2 TRP A 91 0.787 10.008 -6.592 1.00 65.13 C ATOM 1429 NE1 TRP A 91 0.690 12.243 -6.719 1.00 34.34 N ATOM 1430 CE2 TRP A 91 1.175 11.129 -7.352 1.00 12.22 C ATOM 1431 CE3 TRP A 91 1.164 8.735 -7.030 1.00 52.31 C ATOM 1432 CZ2 TRP A 91 1.918 11.013 -8.524 1.00 10.45 C ATOM 1433 CZ3 TRP A 91 1.901 8.622 -8.193 1.00 41.13 C ATOM 1434 CH2 TRP A 91 2.273 9.755 -8.929 1.00 14.52 C ATOM 0 H TRP A 91 1.080 9.309 -2.020 1.00 62.50 H new ATOM 0 HA TRP A 91 -0.708 11.383 -3.088 1.00 14.34 H new ATOM 0 HB2 TRP A 91 -0.087 8.696 -4.348 1.00 43.43 H new ATOM 0 HB3 TRP A 91 -1.622 9.497 -4.615 1.00 43.43 H new ATOM 0 HD1 TRP A 91 -0.474 12.525 -4.896 1.00 20.23 H new ATOM 0 HE1 TRP A 91 0.812 13.205 -7.036 1.00 34.34 H new ATOM 0 HE3 TRP A 91 0.884 7.856 -6.469 1.00 52.31 H new ATOM 0 HZ2 TRP A 91 2.204 11.885 -9.093 1.00 10.45 H new ATOM 0 HZ3 TRP A 91 2.196 7.643 -8.541 1.00 41.13 H new ATOM 0 HH2 TRP A 91 2.851 9.633 -9.833 1.00 14.52 H new ATOM 1445 N GLU A 92 -2.583 10.387 -1.801 1.00 12.43 N ATOM 1446 CA GLU A 92 -3.624 9.888 -0.910 1.00 23.14 C ATOM 1447 C GLU A 92 -4.947 9.728 -1.653 1.00 45.25 C ATOM 1448 O GLU A 92 -5.331 10.585 -2.450 1.00 1.24 O ATOM 1449 CB GLU A 92 -3.805 10.834 0.279 1.00 35.22 C ATOM 1450 CG GLU A 92 -2.831 10.577 1.416 1.00 23.21 C ATOM 1451 CD GLU A 92 -2.619 11.798 2.290 1.00 31.43 C ATOM 1452 OE1 GLU A 92 -2.296 12.872 1.742 1.00 21.21 O ATOM 1453 OE2 GLU A 92 -2.777 11.678 3.523 1.00 31.05 O ATOM 0 H GLU A 92 -2.777 11.303 -2.205 1.00 12.43 H new ATOM 0 HA GLU A 92 -3.314 8.910 -0.543 1.00 23.14 H new ATOM 0 HB2 GLU A 92 -3.686 11.862 -0.064 1.00 35.22 H new ATOM 0 HB3 GLU A 92 -4.823 10.739 0.656 1.00 35.22 H new ATOM 0 HG2 GLU A 92 -3.203 9.756 2.029 1.00 23.21 H new ATOM 0 HG3 GLU A 92 -1.873 10.259 1.004 1.00 23.21 H new ATOM 1460 N TYR A 93 -5.638 8.625 -1.389 1.00 2.35 N ATOM 1461 CA TYR A 93 -6.916 8.351 -2.034 1.00 61.23 C ATOM 1462 C TYR A 93 -7.896 7.715 -1.054 1.00 33.53 C ATOM 1463 O TYR A 93 -7.500 7.192 -0.013 1.00 1.54 O ATOM 1464 CB TYR A 93 -6.715 7.432 -3.240 1.00 62.43 C ATOM 1465 CG TYR A 93 -5.931 8.070 -4.364 1.00 43.33 C ATOM 1466 CD1 TYR A 93 -6.555 8.898 -5.290 1.00 63.51 C ATOM 1467 CD2 TYR A 93 -4.566 7.846 -4.501 1.00 75.14 C ATOM 1468 CE1 TYR A 93 -5.843 9.483 -6.319 1.00 63.22 C ATOM 1469 CE2 TYR A 93 -3.846 8.428 -5.526 1.00 53.04 C ATOM 1470 CZ TYR A 93 -4.489 9.245 -6.433 1.00 3.42 C ATOM 1471 OH TYR A 93 -3.775 9.826 -7.456 1.00 51.01 O ATOM 0 H TYR A 93 -5.334 7.906 -0.732 1.00 2.35 H new ATOM 0 HA TYR A 93 -7.334 9.299 -2.373 1.00 61.23 H new ATOM 0 HB2 TYR A 93 -6.199 6.529 -2.916 1.00 62.43 H new ATOM 0 HB3 TYR A 93 -7.690 7.124 -3.618 1.00 62.43 H new ATOM 0 HD1 TYR A 93 -7.615 9.087 -5.203 1.00 63.51 H new ATOM 0 HD2 TYR A 93 -4.060 7.206 -3.794 1.00 75.14 H new ATOM 0 HE1 TYR A 93 -6.344 10.123 -7.030 1.00 63.22 H new ATOM 0 HE2 TYR A 93 -2.786 8.245 -5.617 1.00 53.04 H new ATOM 0 HH TYR A 93 -2.835 9.557 -7.392 1.00 51.01 H new ATOM 1481 N GLY A 94 -9.180 7.762 -1.396 1.00 14.23 N ATOM 1482 CA GLY A 94 -10.199 7.187 -0.537 1.00 23.05 C ATOM 1483 C GLY A 94 -10.724 8.178 0.483 1.00 20.45 C ATOM 1484 O GLY A 94 -10.729 9.384 0.240 1.00 21.14 O ATOM 0 H GLY A 94 -9.533 8.188 -2.253 1.00 14.23 H new ATOM 0 HA2 GLY A 94 -11.026 6.828 -1.150 1.00 23.05 H new ATOM 0 HA3 GLY A 94 -9.787 6.321 -0.019 1.00 23.05 H new ATOM 1488 N GLU A 95 -11.169 7.667 1.628 1.00 43.25 N ATOM 1489 CA GLU A 95 -11.701 8.517 2.686 1.00 20.35 C ATOM 1490 C GLU A 95 -10.724 9.638 3.027 1.00 2.21 C ATOM 1491 O GLU A 95 -11.090 10.813 3.033 1.00 31.12 O ATOM 1492 CB GLU A 95 -11.997 7.686 3.937 1.00 61.01 C ATOM 1493 CG GLU A 95 -12.346 8.524 5.156 1.00 65.33 C ATOM 1494 CD GLU A 95 -13.545 9.422 4.923 1.00 63.14 C ATOM 1495 OE1 GLU A 95 -14.607 8.902 4.523 1.00 52.25 O ATOM 1496 OE2 GLU A 95 -13.420 10.645 5.141 1.00 51.32 O ATOM 0 H GLU A 95 -11.171 6.670 1.845 1.00 43.25 H new ATOM 0 HA GLU A 95 -12.628 8.964 2.326 1.00 20.35 H new ATOM 0 HB2 GLU A 95 -12.823 7.007 3.725 1.00 61.01 H new ATOM 0 HB3 GLU A 95 -11.128 7.069 4.167 1.00 61.01 H new ATOM 0 HG2 GLU A 95 -12.549 7.864 6.000 1.00 65.33 H new ATOM 0 HG3 GLU A 95 -11.486 9.136 5.430 1.00 65.33 H new