USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 22 HIS : no HD1:sc= -5.93! C(o=-17!,f=-20!) USER MOD Set 1.2: A 24 SER OG : rot -170:sc= -0.471 USER MOD Set 1.3: A 25 MET CE :methyl -154:sc= -4.38! (180deg=-6!) USER MOD Set 1.4: A 48 MET CE :methyl -112:sc= -2.8 (180deg=-1.31) USER MOD Set 1.5: A 57 MET CE :methyl -107:sc= -3.34! (180deg=-5.69!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.378 USER MOD Single : A 9 CYS SG : rot -9:sc= 0.118 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.28) USER MOD Single : A 14 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.6!) 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 106:sc= -1.97 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.83 K(o=-2.8,f=-5.3!) USER MOD Single : A 32 THR OG1 : rot -82:sc= -0.0497 USER MOD Single : A 34 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.17) USER MOD Single : A 41 HIS : no HE2:sc= -4.97 X(o=-5,f=-4.5!) USER MOD Single : A 43 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.4!) USER MOD Single : A 45 TYR OH : rot 30:sc= -1.4 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= -0.748 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0013 (180deg=-0.307) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -135:sc= -2.64 (180deg=-7.03!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.453 0.573 20.420 1.00 21.00 N ATOM 2 CA ALA A 2 -12.692 1.126 19.306 1.00 14.34 C ATOM 3 C ALA A 2 -11.399 0.349 19.085 1.00 74.13 C ATOM 4 O ALA A 2 -10.556 0.261 19.977 1.00 31.13 O ATOM 5 CB ALA A 2 -12.391 2.597 19.553 1.00 44.15 C ATOM 0 HA ALA A 2 -13.297 1.036 18.404 1.00 14.34 H new ATOM 0 HB1 ALA A 2 -11.822 2.998 18.714 1.00 44.15 H new ATOM 0 HB2 ALA A 2 -13.326 3.148 19.654 1.00 44.15 H new ATOM 0 HB3 ALA A 2 -11.808 2.700 20.468 1.00 44.15 H new ATOM 11 N ARG A 3 -11.250 -0.214 17.890 1.00 52.20 N ATOM 12 CA ARG A 3 -10.060 -0.986 17.552 1.00 14.33 C ATOM 13 C ARG A 3 -9.473 -0.525 16.221 1.00 32.23 C ATOM 14 O ARG A 3 -10.179 -0.442 15.217 1.00 72.43 O ATOM 15 CB ARG A 3 -10.396 -2.477 17.485 1.00 1.22 C ATOM 16 CG ARG A 3 -10.484 -3.143 18.848 1.00 23.25 C ATOM 17 CD ARG A 3 -9.204 -3.892 19.186 1.00 1.10 C ATOM 18 NE ARG A 3 -9.317 -5.321 18.910 1.00 70.50 N ATOM 19 CZ ARG A 3 -9.906 -6.184 19.731 1.00 71.14 C ATOM 20 NH1 ARG A 3 -10.433 -5.764 20.872 1.00 10.14 N ATOM 21 NH2 ARG A 3 -9.970 -7.470 19.409 1.00 5.04 N ATOM 0 H ARG A 3 -11.938 -0.150 17.140 1.00 52.20 H new ATOM 0 HA ARG A 3 -9.317 -0.823 18.333 1.00 14.33 H new ATOM 0 HB2 ARG A 3 -11.346 -2.604 16.966 1.00 1.22 H new ATOM 0 HB3 ARG A 3 -9.637 -2.985 16.890 1.00 1.22 H new ATOM 0 HG2 ARG A 3 -10.678 -2.389 19.611 1.00 23.25 H new ATOM 0 HG3 ARG A 3 -11.326 -3.835 18.862 1.00 23.25 H new ATOM 0 HD2 ARG A 3 -8.378 -3.476 18.610 1.00 1.10 H new ATOM 0 HD3 ARG A 3 -8.965 -3.744 20.239 1.00 1.10 H new ATOM 0 HE ARG A 3 -8.922 -5.677 18.039 1.00 70.50 H new ATOM 0 HH11 ARG A 3 -10.387 -4.776 21.122 1.00 10.14 H new ATOM 0 HH12 ARG A 3 -10.885 -6.429 21.500 1.00 10.14 H new ATOM 0 HH21 ARG A 3 -9.567 -7.797 18.531 1.00 5.04 H new ATOM 0 HH22 ARG A 3 -10.422 -8.132 20.040 1.00 5.04 H new ATOM 35 N GLN A 4 -8.178 -0.227 16.223 1.00 11.34 N ATOM 36 CA GLN A 4 -7.497 0.227 15.016 1.00 31.54 C ATOM 37 C GLN A 4 -6.810 -0.937 14.310 1.00 62.14 C ATOM 38 O GLN A 4 -6.383 -1.900 14.948 1.00 41.45 O ATOM 39 CB GLN A 4 -6.471 1.308 15.360 1.00 72.13 C ATOM 40 CG GLN A 4 -5.333 0.810 16.236 1.00 43.35 C ATOM 41 CD GLN A 4 -3.983 1.340 15.795 1.00 45.24 C ATOM 42 OE1 GLN A 4 -3.386 0.836 14.843 1.00 45.01 O ATOM 43 NE2 GLN A 4 -3.493 2.363 16.486 1.00 53.13 N ATOM 0 H GLN A 4 -7.579 -0.292 17.046 1.00 11.34 H new ATOM 0 HA GLN A 4 -8.244 0.647 14.343 1.00 31.54 H new ATOM 0 HB2 GLN A 4 -6.057 1.712 14.436 1.00 72.13 H new ATOM 0 HB3 GLN A 4 -6.977 2.129 15.868 1.00 72.13 H new ATOM 0 HG2 GLN A 4 -5.517 1.108 17.268 1.00 43.35 H new ATOM 0 HG3 GLN A 4 -5.315 -0.280 16.217 1.00 43.35 H new ATOM 0 HE21 GLN A 4 -4.021 2.750 17.268 1.00 53.13 H new ATOM 0 HE22 GLN A 4 -2.588 2.762 16.235 1.00 53.13 H new ATOM 52 N VAL A 5 -6.706 -0.842 12.988 1.00 74.43 N ATOM 53 CA VAL A 5 -6.070 -1.887 12.194 1.00 53.11 C ATOM 54 C VAL A 5 -4.717 -1.427 11.665 1.00 65.34 C ATOM 55 O VAL A 5 -4.452 -0.229 11.566 1.00 4.25 O ATOM 56 CB VAL A 5 -6.957 -2.308 11.007 1.00 31.41 C ATOM 57 CG1 VAL A 5 -8.307 -2.806 11.500 1.00 74.15 C ATOM 58 CG2 VAL A 5 -7.128 -1.152 10.034 1.00 74.14 C ATOM 0 H VAL A 5 -7.054 -0.052 12.444 1.00 74.43 H new ATOM 0 HA VAL A 5 -5.927 -2.743 12.853 1.00 53.11 H new ATOM 0 HB VAL A 5 -6.466 -3.126 10.480 1.00 31.41 H new ATOM 0 HG11 VAL A 5 -8.920 -3.099 10.648 1.00 74.15 H new ATOM 0 HG12 VAL A 5 -8.161 -3.665 12.154 1.00 74.15 H new ATOM 0 HG13 VAL A 5 -8.809 -2.011 12.052 1.00 74.15 H new ATOM 0 HG21 VAL A 5 -7.757 -1.467 9.202 1.00 74.14 H new ATOM 0 HG22 VAL A 5 -7.597 -0.312 10.546 1.00 74.14 H new ATOM 0 HG23 VAL A 5 -6.152 -0.847 9.656 1.00 74.14 H new ATOM 68 N ILE A 6 -3.864 -2.388 11.324 1.00 5.43 N ATOM 69 CA ILE A 6 -2.537 -2.081 10.803 1.00 33.11 C ATOM 70 C ILE A 6 -2.571 -1.894 9.290 1.00 10.11 C ATOM 71 O ILE A 6 -3.392 -2.497 8.598 1.00 51.11 O ATOM 72 CB ILE A 6 -1.526 -3.190 11.149 1.00 12.15 C ATOM 73 CG1 ILE A 6 -1.573 -3.504 12.646 1.00 10.53 C ATOM 74 CG2 ILE A 6 -0.123 -2.776 10.733 1.00 3.22 C ATOM 75 CD1 ILE A 6 -2.580 -4.572 13.009 1.00 73.35 C ATOM 0 H ILE A 6 -4.068 -3.385 11.399 1.00 5.43 H new ATOM 0 HA ILE A 6 -2.220 -1.151 11.275 1.00 33.11 H new ATOM 0 HB ILE A 6 -1.796 -4.092 10.599 1.00 12.15 H new ATOM 0 HG12 ILE A 6 -0.583 -3.823 12.973 1.00 10.53 H new ATOM 0 HG13 ILE A 6 -1.810 -2.592 13.193 1.00 10.53 H new ATOM 0 HG21 ILE A 6 0.580 -3.570 10.984 1.00 3.22 H new ATOM 0 HG22 ILE A 6 -0.100 -2.598 9.658 1.00 3.22 H new ATOM 0 HG23 ILE A 6 0.158 -1.863 11.258 1.00 3.22 H new ATOM 0 HD11 ILE A 6 -2.558 -4.742 14.085 1.00 73.35 H new ATOM 0 HD12 ILE A 6 -3.578 -4.247 12.713 1.00 73.35 H new ATOM 0 HD13 ILE A 6 -2.331 -5.498 12.490 1.00 73.35 H new ATOM 87 N CYS A 7 -1.673 -1.057 8.783 1.00 12.51 N ATOM 88 CA CYS A 7 -1.599 -0.790 7.351 1.00 60.42 C ATOM 89 C CYS A 7 -0.898 -1.932 6.621 1.00 12.13 C ATOM 90 O CYS A 7 -0.119 -2.676 7.216 1.00 5.24 O ATOM 91 CB CYS A 7 -0.862 0.525 7.093 1.00 61.41 C ATOM 92 SG CYS A 7 0.926 0.430 7.343 1.00 23.23 S ATOM 0 H CYS A 7 -0.986 -0.551 9.342 1.00 12.51 H new ATOM 0 HA CYS A 7 -2.616 -0.708 6.969 1.00 60.42 H new ATOM 0 HB2 CYS A 7 -1.059 0.845 6.070 1.00 61.41 H new ATOM 0 HB3 CYS A 7 -1.270 1.293 7.751 1.00 61.41 H new ATOM 0 HG CYS A 7 1.461 1.590 7.099 1.00 23.23 H new ATOM 98 N TRP A 8 -1.183 -2.065 5.331 1.00 45.20 N ATOM 99 CA TRP A 8 -0.581 -3.117 4.520 1.00 25.54 C ATOM 100 C TRP A 8 0.483 -2.546 3.589 1.00 21.42 C ATOM 101 O TRP A 8 0.176 -1.774 2.680 1.00 34.24 O ATOM 102 CB TRP A 8 -1.655 -3.840 3.706 1.00 41.54 C ATOM 103 CG TRP A 8 -2.610 -4.629 4.549 1.00 3.11 C ATOM 104 CD1 TRP A 8 -3.499 -4.135 5.461 1.00 25.41 C ATOM 105 CD2 TRP A 8 -2.769 -6.052 4.560 1.00 53.33 C ATOM 106 NE1 TRP A 8 -4.201 -5.166 6.038 1.00 51.20 N ATOM 107 CE2 TRP A 8 -3.773 -6.351 5.501 1.00 31.35 C ATOM 108 CE3 TRP A 8 -2.164 -7.101 3.864 1.00 63.41 C ATOM 109 CZ2 TRP A 8 -4.181 -7.656 5.764 1.00 75.21 C ATOM 110 CZ3 TRP A 8 -2.570 -8.396 4.126 1.00 40.02 C ATOM 111 CH2 TRP A 8 -3.571 -8.664 5.068 1.00 34.53 C ATOM 0 H TRP A 8 -1.827 -1.458 4.824 1.00 45.20 H new ATOM 0 HA TRP A 8 -0.103 -3.830 5.192 1.00 25.54 H new ATOM 0 HB2 TRP A 8 -2.215 -3.107 3.125 1.00 41.54 H new ATOM 0 HB3 TRP A 8 -1.172 -4.509 2.994 1.00 41.54 H new ATOM 0 HD1 TRP A 8 -3.631 -3.089 5.694 1.00 25.41 H new ATOM 0 HE1 TRP A 8 -4.924 -5.065 6.751 1.00 51.20 H new ATOM 0 HE3 TRP A 8 -1.393 -6.904 3.134 1.00 63.41 H new ATOM 0 HZ2 TRP A 8 -4.951 -7.865 6.491 1.00 75.21 H new ATOM 0 HZ3 TRP A 8 -2.107 -9.215 3.595 1.00 40.02 H new ATOM 0 HH2 TRP A 8 -3.867 -9.687 5.249 1.00 34.53 H new ATOM 122 N CYS A 9 1.734 -2.930 3.821 1.00 75.45 N ATOM 123 CA CYS A 9 2.843 -2.455 3.002 1.00 62.23 C ATOM 124 C CYS A 9 3.192 -3.470 1.918 1.00 42.34 C ATOM 125 O CYS A 9 3.583 -4.600 2.212 1.00 14.53 O ATOM 126 CB CYS A 9 4.068 -2.182 3.875 1.00 25.22 C ATOM 127 SG CYS A 9 4.566 -3.581 4.907 1.00 32.02 S ATOM 0 H CYS A 9 2.005 -3.568 4.569 1.00 75.45 H new ATOM 0 HA CYS A 9 2.535 -1.527 2.520 1.00 62.23 H new ATOM 0 HB2 CYS A 9 4.903 -1.902 3.233 1.00 25.22 H new ATOM 0 HB3 CYS A 9 3.860 -1.326 4.517 1.00 25.22 H new ATOM 0 HG CYS A 9 3.661 -4.512 4.842 1.00 32.02 H new ATOM 133 N PHE A 10 3.047 -3.059 0.662 1.00 64.41 N ATOM 134 CA PHE A 10 3.345 -3.933 -0.467 1.00 73.30 C ATOM 135 C PHE A 10 4.208 -3.214 -1.499 1.00 4.10 C ATOM 136 O PHE A 10 4.323 -1.988 -1.484 1.00 51.24 O ATOM 137 CB PHE A 10 2.048 -4.418 -1.119 1.00 62.02 C ATOM 138 CG PHE A 10 1.502 -3.468 -2.147 1.00 3.15 C ATOM 139 CD1 PHE A 10 0.669 -2.426 -1.772 1.00 71.23 C ATOM 140 CD2 PHE A 10 1.823 -3.616 -3.486 1.00 70.23 C ATOM 141 CE1 PHE A 10 0.165 -1.551 -2.716 1.00 33.12 C ATOM 142 CE2 PHE A 10 1.322 -2.744 -4.434 1.00 41.13 C ATOM 143 CZ PHE A 10 0.493 -1.709 -4.048 1.00 74.42 C ATOM 0 H PHE A 10 2.725 -2.127 0.401 1.00 64.41 H new ATOM 0 HA PHE A 10 3.900 -4.793 -0.092 1.00 73.30 H new ATOM 0 HB2 PHE A 10 2.226 -5.385 -1.588 1.00 62.02 H new ATOM 0 HB3 PHE A 10 1.297 -4.573 -0.344 1.00 62.02 H new ATOM 0 HD1 PHE A 10 0.411 -2.296 -0.731 1.00 71.23 H new ATOM 0 HD2 PHE A 10 2.473 -4.422 -3.793 1.00 70.23 H new ATOM 0 HE1 PHE A 10 -0.485 -0.744 -2.412 1.00 33.12 H new ATOM 0 HE2 PHE A 10 1.578 -2.872 -5.475 1.00 41.13 H new ATOM 0 HZ PHE A 10 0.102 -1.025 -4.786 1.00 74.42 H new ATOM 153 N THR A 11 4.816 -3.986 -2.395 1.00 12.30 N ATOM 154 CA THR A 11 5.671 -3.424 -3.433 1.00 74.22 C ATOM 155 C THR A 11 5.357 -4.035 -4.794 1.00 32.50 C ATOM 156 O THR A 11 5.395 -5.255 -4.962 1.00 23.10 O ATOM 157 CB THR A 11 7.161 -3.646 -3.115 1.00 22.52 C ATOM 158 OG1 THR A 11 7.413 -3.373 -1.732 1.00 12.11 O ATOM 159 CG2 THR A 11 8.038 -2.755 -3.981 1.00 64.20 C ATOM 0 H THR A 11 4.732 -5.002 -2.422 1.00 12.30 H new ATOM 0 HA THR A 11 5.469 -2.353 -3.463 1.00 74.22 H new ATOM 0 HB THR A 11 7.404 -4.687 -3.330 1.00 22.52 H new ATOM 0 HG1 THR A 11 8.363 -3.518 -1.538 1.00 12.11 H new ATOM 0 HG21 THR A 11 9.086 -2.930 -3.738 1.00 64.20 H new ATOM 0 HG22 THR A 11 7.866 -2.986 -5.032 1.00 64.20 H new ATOM 0 HG23 THR A 11 7.792 -1.710 -3.794 1.00 64.20 H new ATOM 167 N LEU A 12 5.047 -3.182 -5.763 1.00 51.34 N ATOM 168 CA LEU A 12 4.727 -3.638 -7.112 1.00 21.24 C ATOM 169 C LEU A 12 5.762 -3.139 -8.115 1.00 73.21 C ATOM 170 O LEU A 12 6.031 -1.942 -8.200 1.00 52.24 O ATOM 171 CB LEU A 12 3.333 -3.157 -7.517 1.00 11.30 C ATOM 172 CG LEU A 12 2.984 -3.283 -9.000 1.00 61.33 C ATOM 173 CD1 LEU A 12 3.386 -4.652 -9.528 1.00 42.43 C ATOM 174 CD2 LEU A 12 1.498 -3.040 -9.222 1.00 4.35 C ATOM 0 H LEU A 12 5.010 -2.170 -5.641 1.00 51.34 H new ATOM 0 HA LEU A 12 4.743 -4.728 -7.114 1.00 21.24 H new ATOM 0 HB2 LEU A 12 2.596 -3.718 -6.942 1.00 11.30 H new ATOM 0 HB3 LEU A 12 3.234 -2.111 -7.229 1.00 11.30 H new ATOM 0 HG LEU A 12 3.542 -2.525 -9.550 1.00 61.33 H new ATOM 0 HD11 LEU A 12 3.130 -4.724 -10.585 1.00 42.43 H new ATOM 0 HD12 LEU A 12 4.460 -4.788 -9.405 1.00 42.43 H new ATOM 0 HD13 LEU A 12 2.856 -5.426 -8.973 1.00 42.43 H new ATOM 0 HD21 LEU A 12 1.269 -3.134 -10.283 1.00 4.35 H new ATOM 0 HD22 LEU A 12 0.921 -3.774 -8.660 1.00 4.35 H new ATOM 0 HD23 LEU A 12 1.238 -2.037 -8.882 1.00 4.35 H new ATOM 186 N ASN A 13 6.337 -4.066 -8.875 1.00 11.14 N ATOM 187 CA ASN A 13 7.341 -3.720 -9.874 1.00 51.22 C ATOM 188 C ASN A 13 6.771 -3.847 -11.284 1.00 3.22 C ATOM 189 O ASN A 13 6.057 -4.800 -11.592 1.00 12.41 O ATOM 190 CB ASN A 13 8.570 -4.619 -9.726 1.00 32.13 C ATOM 191 CG ASN A 13 8.263 -6.072 -10.033 1.00 23.23 C ATOM 192 OD1 ASN A 13 8.324 -6.501 -11.185 1.00 41.11 O ATOM 193 ND2 ASN A 13 7.932 -6.838 -9.000 1.00 15.25 N ATOM 0 H ASN A 13 6.125 -5.062 -8.818 1.00 11.14 H new ATOM 0 HA ASN A 13 7.636 -2.683 -9.712 1.00 51.22 H new ATOM 0 HB2 ASN A 13 9.357 -4.268 -10.394 1.00 32.13 H new ATOM 0 HB3 ASN A 13 8.955 -4.539 -8.710 1.00 32.13 H new ATOM 0 HD21 ASN A 13 7.716 -7.824 -9.145 1.00 15.25 H new ATOM 0 HD22 ASN A 13 7.894 -6.440 -8.062 1.00 15.25 H new ATOM 200 N ASN A 14 7.094 -2.879 -12.136 1.00 31.01 N ATOM 201 CA ASN A 14 6.615 -2.882 -13.513 1.00 74.33 C ATOM 202 C ASN A 14 5.106 -3.103 -13.564 1.00 31.43 C ATOM 203 O ASN A 14 4.617 -4.101 -14.094 1.00 20.43 O ATOM 204 CB ASN A 14 7.328 -3.969 -14.321 1.00 12.42 C ATOM 205 CG ASN A 14 7.217 -3.744 -15.816 1.00 74.15 C ATOM 206 OD1 ASN A 14 6.874 -2.651 -16.268 1.00 2.05 O ATOM 207 ND2 ASN A 14 7.506 -4.781 -16.593 1.00 62.45 N ATOM 0 H ASN A 14 7.685 -2.083 -11.897 1.00 31.01 H new ATOM 0 HA ASN A 14 6.837 -1.909 -13.950 1.00 74.33 H new ATOM 0 HB2 ASN A 14 8.380 -3.997 -14.038 1.00 12.42 H new ATOM 0 HB3 ASN A 14 6.904 -4.941 -14.070 1.00 12.42 H new ATOM 0 HD21 ASN A 14 7.448 -4.690 -17.607 1.00 62.45 H new ATOM 0 HD22 ASN A 14 7.786 -5.669 -16.176 1.00 62.45 H new ATOM 214 N PRO A 15 4.349 -2.150 -13.000 1.00 20.32 N ATOM 215 CA PRO A 15 2.885 -2.217 -12.968 1.00 70.45 C ATOM 216 C PRO A 15 2.266 -2.029 -14.349 1.00 63.04 C ATOM 217 O PRO A 15 2.957 -1.680 -15.308 1.00 13.11 O ATOM 218 CB PRO A 15 2.497 -1.059 -12.046 1.00 35.41 C ATOM 219 CG PRO A 15 3.630 -0.098 -12.146 1.00 65.42 C ATOM 220 CD PRO A 15 4.864 -0.934 -12.350 1.00 2.41 C ATOM 0 HA PRO A 15 2.529 -3.189 -12.627 1.00 70.45 H new ATOM 0 HB2 PRO A 15 1.560 -0.600 -12.360 1.00 35.41 H new ATOM 0 HB3 PRO A 15 2.357 -1.400 -11.020 1.00 35.41 H new ATOM 0 HG2 PRO A 15 3.484 0.592 -12.977 1.00 65.42 H new ATOM 0 HG3 PRO A 15 3.712 0.505 -11.241 1.00 65.42 H new ATOM 0 HD2 PRO A 15 5.596 -0.423 -12.976 1.00 2.41 H new ATOM 0 HD3 PRO A 15 5.356 -1.162 -11.404 1.00 2.41 H new ATOM 228 N LEU A 16 0.962 -2.261 -14.445 1.00 31.52 N ATOM 229 CA LEU A 16 0.249 -2.117 -15.710 1.00 4.45 C ATOM 230 C LEU A 16 -0.767 -0.982 -15.635 1.00 43.42 C ATOM 231 O LEU A 16 -1.407 -0.642 -16.630 1.00 71.21 O ATOM 232 CB LEU A 16 -0.456 -3.425 -16.073 1.00 44.40 C ATOM 233 CG LEU A 16 -0.329 -3.873 -17.529 1.00 62.23 C ATOM 234 CD1 LEU A 16 -0.952 -2.845 -18.461 1.00 22.02 C ATOM 235 CD2 LEU A 16 1.131 -4.107 -17.890 1.00 71.12 C ATOM 0 H LEU A 16 0.376 -2.550 -13.662 1.00 31.52 H new ATOM 0 HA LEU A 16 0.978 -1.878 -16.485 1.00 4.45 H new ATOM 0 HB2 LEU A 16 -0.063 -4.216 -15.435 1.00 44.40 H new ATOM 0 HB3 LEU A 16 -1.515 -3.322 -15.836 1.00 44.40 H new ATOM 0 HG LEU A 16 -0.867 -4.813 -17.647 1.00 62.23 H new ATOM 0 HD11 LEU A 16 -0.852 -3.181 -19.493 1.00 22.02 H new ATOM 0 HD12 LEU A 16 -2.008 -2.727 -18.219 1.00 22.02 H new ATOM 0 HD13 LEU A 16 -0.443 -1.889 -18.340 1.00 22.02 H new ATOM 0 HD21 LEU A 16 1.202 -4.425 -18.930 1.00 71.12 H new ATOM 0 HD22 LEU A 16 1.692 -3.182 -17.754 1.00 71.12 H new ATOM 0 HD23 LEU A 16 1.546 -4.881 -17.244 1.00 71.12 H new ATOM 247 N SER A 17 -0.908 -0.397 -14.450 1.00 4.02 N ATOM 248 CA SER A 17 -1.847 0.699 -14.245 1.00 10.41 C ATOM 249 C SER A 17 -1.805 1.188 -12.800 1.00 70.02 C ATOM 250 O SER A 17 -1.339 0.494 -11.897 1.00 22.15 O ATOM 251 CB SER A 17 -3.267 0.257 -14.604 1.00 64.54 C ATOM 252 OG SER A 17 -4.036 0.016 -13.439 1.00 54.22 O ATOM 0 H SER A 17 -0.383 -0.664 -13.617 1.00 4.02 H new ATOM 0 HA SER A 17 -1.554 1.521 -14.898 1.00 10.41 H new ATOM 0 HB2 SER A 17 -3.748 1.026 -15.209 1.00 64.54 H new ATOM 0 HB3 SER A 17 -3.227 -0.648 -15.211 1.00 64.54 H new ATOM 0 HG SER A 17 -4.940 -0.264 -13.696 1.00 54.22 H new ATOM 258 N PRO A 18 -2.304 2.413 -12.576 1.00 31.40 N ATOM 259 CA PRO A 18 -2.336 3.023 -11.243 1.00 71.44 C ATOM 260 C PRO A 18 -3.336 2.339 -10.317 1.00 25.33 C ATOM 261 O PRO A 18 -4.326 1.764 -10.771 1.00 21.14 O ATOM 262 CB PRO A 18 -2.767 4.465 -11.524 1.00 24.54 C ATOM 263 CG PRO A 18 -3.523 4.392 -12.805 1.00 61.10 C ATOM 264 CD PRO A 18 -2.876 3.296 -13.606 1.00 70.10 C ATOM 0 HA PRO A 18 -1.376 2.942 -10.734 1.00 71.44 H new ATOM 0 HB2 PRO A 18 -3.389 4.856 -10.719 1.00 24.54 H new ATOM 0 HB3 PRO A 18 -1.905 5.126 -11.610 1.00 24.54 H new ATOM 0 HG2 PRO A 18 -4.576 4.174 -12.625 1.00 61.10 H new ATOM 0 HG3 PRO A 18 -3.481 5.342 -13.338 1.00 61.10 H new ATOM 0 HD2 PRO A 18 -3.601 2.771 -14.228 1.00 70.10 H new ATOM 0 HD3 PRO A 18 -2.107 3.686 -14.273 1.00 70.10 H new ATOM 272 N LEU A 19 -3.071 2.405 -9.017 1.00 24.33 N ATOM 273 CA LEU A 19 -3.948 1.792 -8.025 1.00 62.21 C ATOM 274 C LEU A 19 -5.254 2.570 -7.899 1.00 22.35 C ATOM 275 O LEU A 19 -5.385 3.672 -8.430 1.00 53.11 O ATOM 276 CB LEU A 19 -3.247 1.725 -6.667 1.00 41.21 C ATOM 277 CG LEU A 19 -1.839 1.129 -6.667 1.00 31.51 C ATOM 278 CD1 LEU A 19 -1.257 1.135 -5.262 1.00 45.41 C ATOM 279 CD2 LEU A 19 -1.859 -0.285 -7.231 1.00 43.42 C ATOM 0 H LEU A 19 -2.256 2.877 -8.625 1.00 24.33 H new ATOM 0 HA LEU A 19 -4.180 0.780 -8.357 1.00 62.21 H new ATOM 0 HB2 LEU A 19 -3.193 2.734 -6.259 1.00 41.21 H new ATOM 0 HB3 LEU A 19 -3.868 1.140 -5.989 1.00 41.21 H new ATOM 0 HG LEU A 19 -1.204 1.745 -7.304 1.00 31.51 H new ATOM 0 HD11 LEU A 19 -0.255 0.707 -5.282 1.00 45.41 H new ATOM 0 HD12 LEU A 19 -1.207 2.160 -4.893 1.00 45.41 H new ATOM 0 HD13 LEU A 19 -1.892 0.543 -4.603 1.00 45.41 H new ATOM 0 HD21 LEU A 19 -0.849 -0.694 -7.224 1.00 43.42 H new ATOM 0 HD22 LEU A 19 -2.509 -0.911 -6.620 1.00 43.42 H new ATOM 0 HD23 LEU A 19 -2.234 -0.263 -8.254 1.00 43.42 H new ATOM 291 N SER A 20 -6.216 1.989 -7.189 1.00 72.22 N ATOM 292 CA SER A 20 -7.513 2.627 -6.994 1.00 22.33 C ATOM 293 C SER A 20 -8.115 2.233 -5.648 1.00 64.12 C ATOM 294 O SER A 20 -7.738 1.219 -5.059 1.00 61.11 O ATOM 295 CB SER A 20 -8.469 2.243 -8.125 1.00 11.33 C ATOM 296 OG SER A 20 -8.608 0.836 -8.220 1.00 13.30 O ATOM 0 H SER A 20 -6.122 1.078 -6.740 1.00 72.22 H new ATOM 0 HA SER A 20 -7.365 3.707 -7.004 1.00 22.33 H new ATOM 0 HB2 SER A 20 -9.445 2.697 -7.951 1.00 11.33 H new ATOM 0 HB3 SER A 20 -8.097 2.639 -9.070 1.00 11.33 H new ATOM 0 HG SER A 20 -9.225 0.617 -8.949 1.00 13.30 H new ATOM 302 N LEU A 21 -9.052 3.042 -5.167 1.00 71.03 N ATOM 303 CA LEU A 21 -9.708 2.780 -3.891 1.00 22.32 C ATOM 304 C LEU A 21 -10.503 1.479 -3.944 1.00 63.11 C ATOM 305 O LEU A 21 -10.978 1.072 -5.005 1.00 2.40 O ATOM 306 CB LEU A 21 -10.632 3.941 -3.522 1.00 15.02 C ATOM 307 CG LEU A 21 -11.608 3.683 -2.373 1.00 53.22 C ATOM 308 CD1 LEU A 21 -10.860 3.559 -1.055 1.00 13.41 C ATOM 309 CD2 LEU A 21 -12.647 4.792 -2.297 1.00 13.51 C ATOM 0 H LEU A 21 -9.375 3.885 -5.641 1.00 71.03 H new ATOM 0 HA LEU A 21 -8.936 2.682 -3.128 1.00 22.32 H new ATOM 0 HB2 LEU A 21 -10.015 4.801 -3.262 1.00 15.02 H new ATOM 0 HB3 LEU A 21 -11.207 4.216 -4.406 1.00 15.02 H new ATOM 0 HG LEU A 21 -12.124 2.742 -2.564 1.00 53.22 H new ATOM 0 HD11 LEU A 21 -11.571 3.376 -0.249 1.00 13.41 H new ATOM 0 HD12 LEU A 21 -10.155 2.729 -1.113 1.00 13.41 H new ATOM 0 HD13 LEU A 21 -10.317 4.483 -0.857 1.00 13.41 H new ATOM 0 HD21 LEU A 21 -13.333 4.592 -1.474 1.00 13.51 H new ATOM 0 HD22 LEU A 21 -12.148 5.747 -2.130 1.00 13.51 H new ATOM 0 HD23 LEU A 21 -13.205 4.833 -3.233 1.00 13.51 H new ATOM 321 N HIS A 22 -10.645 0.831 -2.792 1.00 74.02 N ATOM 322 CA HIS A 22 -11.386 -0.423 -2.707 1.00 44.10 C ATOM 323 C HIS A 22 -12.620 -0.266 -1.824 1.00 71.23 C ATOM 324 O HIS A 22 -12.570 0.385 -0.781 1.00 12.14 O ATOM 325 CB HIS A 22 -10.489 -1.533 -2.157 1.00 41.34 C ATOM 326 CG HIS A 22 -10.989 -2.912 -2.460 1.00 43.32 C ATOM 327 ND1 HIS A 22 -10.962 -3.940 -1.542 1.00 73.32 N ATOM 328 CD2 HIS A 22 -11.532 -3.429 -3.587 1.00 42.00 C ATOM 329 CE1 HIS A 22 -11.466 -5.031 -2.092 1.00 22.02 C ATOM 330 NE2 HIS A 22 -11.819 -4.747 -3.332 1.00 74.44 N ATOM 0 H HIS A 22 -10.257 1.153 -1.905 1.00 74.02 H new ATOM 0 HA HIS A 22 -11.712 -0.693 -3.712 1.00 44.10 H new ATOM 0 HB2 HIS A 22 -9.488 -1.419 -2.572 1.00 41.34 H new ATOM 0 HB3 HIS A 22 -10.401 -1.416 -1.077 1.00 41.34 H new ATOM 0 HD2 HIS A 22 -11.707 -2.903 -4.514 1.00 42.00 H new ATOM 0 HE1 HIS A 22 -11.571 -5.991 -1.609 1.00 22.02 H new ATOM 0 HE2 HIS A 22 -12.237 -5.401 -3.994 1.00 74.44 H new ATOM 338 N ASP A 23 -13.726 -0.866 -2.250 1.00 71.14 N ATOM 339 CA ASP A 23 -14.974 -0.793 -1.499 1.00 24.44 C ATOM 340 C ASP A 23 -14.829 -1.470 -0.139 1.00 61.10 C ATOM 341 O ASP A 23 -15.569 -1.169 0.797 1.00 34.21 O ATOM 342 CB ASP A 23 -16.109 -1.446 -2.289 1.00 21.12 C ATOM 343 CG ASP A 23 -16.784 -0.477 -3.239 1.00 75.10 C ATOM 344 OD1 ASP A 23 -16.065 0.249 -3.957 1.00 73.23 O ATOM 345 OD2 ASP A 23 -18.032 -0.445 -3.265 1.00 74.20 O ATOM 0 H ASP A 23 -13.784 -1.409 -3.112 1.00 71.14 H new ATOM 0 HA ASP A 23 -15.212 0.258 -1.339 1.00 24.44 H new ATOM 0 HB2 ASP A 23 -15.715 -2.290 -2.855 1.00 21.12 H new ATOM 0 HB3 ASP A 23 -16.849 -1.845 -1.595 1.00 21.12 H new ATOM 350 N SER A 24 -13.871 -2.386 -0.039 1.00 30.15 N ATOM 351 CA SER A 24 -13.632 -3.109 1.205 1.00 34.31 C ATOM 352 C SER A 24 -12.711 -2.316 2.127 1.00 53.32 C ATOM 353 O SER A 24 -12.914 -2.275 3.340 1.00 74.02 O ATOM 354 CB SER A 24 -13.021 -4.481 0.913 1.00 74.12 C ATOM 355 OG SER A 24 -13.652 -5.094 -0.198 1.00 72.03 O ATOM 0 H SER A 24 -13.248 -2.645 -0.804 1.00 30.15 H new ATOM 0 HA SER A 24 -14.590 -3.245 1.707 1.00 34.31 H new ATOM 0 HB2 SER A 24 -11.954 -4.373 0.716 1.00 74.12 H new ATOM 0 HB3 SER A 24 -13.120 -5.121 1.790 1.00 74.12 H new ATOM 0 HG SER A 24 -13.357 -6.026 -0.268 1.00 72.03 H new ATOM 361 N MET A 25 -11.698 -1.686 1.541 1.00 21.21 N ATOM 362 CA MET A 25 -10.746 -0.892 2.309 1.00 65.51 C ATOM 363 C MET A 25 -11.387 0.402 2.798 1.00 45.41 C ATOM 364 O MET A 25 -12.580 0.630 2.599 1.00 10.30 O ATOM 365 CB MET A 25 -9.512 -0.576 1.461 1.00 20.20 C ATOM 366 CG MET A 25 -9.702 0.610 0.530 1.00 14.41 C ATOM 367 SD MET A 25 -8.155 1.173 -0.204 1.00 25.12 S ATOM 368 CE MET A 25 -7.708 -0.255 -1.188 1.00 60.23 C ATOM 0 H MET A 25 -11.515 -1.710 0.538 1.00 21.21 H new ATOM 0 HA MET A 25 -10.441 -1.476 3.178 1.00 65.51 H new ATOM 0 HB2 MET A 25 -8.668 -0.377 2.122 1.00 20.20 H new ATOM 0 HB3 MET A 25 -9.253 -1.454 0.869 1.00 20.20 H new ATOM 0 HG2 MET A 25 -10.397 0.336 -0.263 1.00 14.41 H new ATOM 0 HG3 MET A 25 -10.157 1.432 1.083 1.00 14.41 H new ATOM 0 HE1 MET A 25 -6.627 -0.279 -1.324 1.00 60.23 H new ATOM 0 HE2 MET A 25 -8.031 -1.163 -0.679 1.00 60.23 H new ATOM 0 HE3 MET A 25 -8.194 -0.193 -2.162 1.00 60.23 H new ATOM 378 N LYS A 26 -10.587 1.248 3.439 1.00 43.02 N ATOM 379 CA LYS A 26 -11.075 2.521 3.956 1.00 60.02 C ATOM 380 C LYS A 26 -10.256 3.683 3.403 1.00 24.13 C ATOM 381 O LYS A 26 -10.798 4.742 3.086 1.00 62.34 O ATOM 382 CB LYS A 26 -11.022 2.528 5.485 1.00 32.43 C ATOM 383 CG LYS A 26 -12.384 2.678 6.140 1.00 13.12 C ATOM 384 CD LYS A 26 -12.518 4.016 6.848 1.00 71.00 C ATOM 385 CE LYS A 26 -13.432 3.916 8.060 1.00 5.41 C ATOM 386 NZ LYS A 26 -12.720 3.368 9.248 1.00 45.53 N ATOM 0 H LYS A 26 -9.597 1.075 3.613 1.00 43.02 H new ATOM 0 HA LYS A 26 -12.109 2.643 3.634 1.00 60.02 H new ATOM 0 HB2 LYS A 26 -10.563 1.601 5.829 1.00 32.43 H new ATOM 0 HB3 LYS A 26 -10.378 3.344 5.814 1.00 32.43 H new ATOM 0 HG2 LYS A 26 -13.164 2.585 5.385 1.00 13.12 H new ATOM 0 HG3 LYS A 26 -12.536 1.870 6.856 1.00 13.12 H new ATOM 0 HD2 LYS A 26 -11.533 4.363 7.161 1.00 71.00 H new ATOM 0 HD3 LYS A 26 -12.912 4.758 6.154 1.00 71.00 H new ATOM 0 HE2 LYS A 26 -13.829 4.903 8.298 1.00 5.41 H new ATOM 0 HE3 LYS A 26 -14.284 3.279 7.821 1.00 5.41 H new ATOM 0 HZ1 LYS A 26 -13.377 3.316 10.053 1.00 45.53 H new ATOM 0 HZ2 LYS A 26 -12.363 2.416 9.030 1.00 45.53 H new ATOM 0 HZ3 LYS A 26 -11.923 3.989 9.492 1.00 45.53 H new ATOM 400 N TYR A 27 -8.948 3.478 3.290 1.00 32.51 N ATOM 401 CA TYR A 27 -8.054 4.509 2.776 1.00 32.54 C ATOM 402 C TYR A 27 -7.014 3.908 1.836 1.00 5.21 C ATOM 403 O TYR A 27 -6.600 2.759 2.000 1.00 13.41 O ATOM 404 CB TYR A 27 -7.358 5.231 3.931 1.00 52.10 C ATOM 405 CG TYR A 27 -6.937 6.644 3.595 1.00 65.30 C ATOM 406 CD1 TYR A 27 -7.877 7.606 3.249 1.00 41.40 C ATOM 407 CD2 TYR A 27 -5.598 7.016 3.622 1.00 32.44 C ATOM 408 CE1 TYR A 27 -7.496 8.898 2.940 1.00 15.25 C ATOM 409 CE2 TYR A 27 -5.209 8.305 3.317 1.00 42.21 C ATOM 410 CZ TYR A 27 -6.161 9.243 2.976 1.00 34.23 C ATOM 411 OH TYR A 27 -5.777 10.528 2.670 1.00 54.21 O ATOM 0 H TYR A 27 -8.483 2.607 3.547 1.00 32.51 H new ATOM 0 HA TYR A 27 -8.652 5.227 2.215 1.00 32.54 H new ATOM 0 HB2 TYR A 27 -8.028 5.255 4.790 1.00 52.10 H new ATOM 0 HB3 TYR A 27 -6.479 4.660 4.229 1.00 52.10 H new ATOM 0 HD1 TYR A 27 -8.923 7.340 3.221 1.00 41.40 H new ATOM 0 HD2 TYR A 27 -4.849 6.284 3.886 1.00 32.44 H new ATOM 0 HE1 TYR A 27 -8.240 9.634 2.672 1.00 15.25 H new ATOM 0 HE2 TYR A 27 -4.164 8.578 3.345 1.00 42.21 H new ATOM 0 HH TYR A 27 -5.525 10.999 3.492 1.00 54.21 H new ATOM 421 N LEU A 28 -6.593 4.694 0.851 1.00 73.32 N ATOM 422 CA LEU A 28 -5.600 4.242 -0.117 1.00 63.22 C ATOM 423 C LEU A 28 -4.417 5.203 -0.173 1.00 10.42 C ATOM 424 O LEU A 28 -4.590 6.407 -0.365 1.00 14.12 O ATOM 425 CB LEU A 28 -6.232 4.112 -1.504 1.00 51.30 C ATOM 426 CG LEU A 28 -5.259 4.056 -2.683 1.00 35.55 C ATOM 427 CD1 LEU A 28 -4.180 3.014 -2.434 1.00 21.31 C ATOM 428 CD2 LEU A 28 -6.005 3.756 -3.975 1.00 43.11 C ATOM 0 H LEU A 28 -6.924 5.647 0.702 1.00 73.32 H new ATOM 0 HA LEU A 28 -5.236 3.265 0.203 1.00 63.22 H new ATOM 0 HB2 LEU A 28 -6.843 3.209 -1.520 1.00 51.30 H new ATOM 0 HB3 LEU A 28 -6.906 4.955 -1.655 1.00 51.30 H new ATOM 0 HG LEU A 28 -4.779 5.030 -2.781 1.00 35.55 H new ATOM 0 HD11 LEU A 28 -3.497 2.988 -3.283 1.00 21.31 H new ATOM 0 HD12 LEU A 28 -3.627 3.272 -1.531 1.00 21.31 H new ATOM 0 HD13 LEU A 28 -4.642 2.035 -2.310 1.00 21.31 H new ATOM 0 HD21 LEU A 28 -5.298 3.720 -4.804 1.00 43.11 H new ATOM 0 HD22 LEU A 28 -6.511 2.795 -3.888 1.00 43.11 H new ATOM 0 HD23 LEU A 28 -6.741 4.538 -4.160 1.00 43.11 H new ATOM 440 N VAL A 29 -3.214 4.664 -0.006 1.00 22.23 N ATOM 441 CA VAL A 29 -2.001 5.473 -0.040 1.00 55.13 C ATOM 442 C VAL A 29 -0.886 4.760 -0.796 1.00 51.14 C ATOM 443 O VAL A 29 -0.483 3.655 -0.432 1.00 43.32 O ATOM 444 CB VAL A 29 -1.510 5.809 1.380 1.00 13.24 C ATOM 445 CG1 VAL A 29 -0.194 6.569 1.325 1.00 42.05 C ATOM 446 CG2 VAL A 29 -2.564 6.607 2.133 1.00 33.13 C ATOM 0 H VAL A 29 -3.053 3.670 0.154 1.00 22.23 H new ATOM 0 HA VAL A 29 -2.253 6.399 -0.558 1.00 55.13 H new ATOM 0 HB VAL A 29 -1.341 4.876 1.917 1.00 13.24 H new ATOM 0 HG11 VAL A 29 0.137 6.797 2.338 1.00 42.05 H new ATOM 0 HG12 VAL A 29 0.559 5.958 0.827 1.00 42.05 H new ATOM 0 HG13 VAL A 29 -0.333 7.497 0.771 1.00 42.05 H new ATOM 0 HG21 VAL A 29 -2.200 6.836 3.135 1.00 33.13 H new ATOM 0 HG22 VAL A 29 -2.767 7.536 1.600 1.00 33.13 H new ATOM 0 HG23 VAL A 29 -3.481 6.022 2.205 1.00 33.13 H new ATOM 456 N TYR A 30 -0.391 5.399 -1.851 1.00 13.25 N ATOM 457 CA TYR A 30 0.677 4.825 -2.660 1.00 40.41 C ATOM 458 C TYR A 30 1.499 5.921 -3.333 1.00 31.50 C ATOM 459 O TYR A 30 1.045 7.056 -3.469 1.00 50.23 O ATOM 460 CB TYR A 30 0.095 3.886 -3.718 1.00 24.11 C ATOM 461 CG TYR A 30 -0.443 4.604 -4.935 1.00 34.33 C ATOM 462 CD1 TYR A 30 0.374 4.873 -6.025 1.00 45.22 C ATOM 463 CD2 TYR A 30 -1.770 5.013 -4.994 1.00 3.34 C ATOM 464 CE1 TYR A 30 -0.113 5.529 -7.139 1.00 11.41 C ATOM 465 CE2 TYR A 30 -2.266 5.669 -6.104 1.00 32.43 C ATOM 466 CZ TYR A 30 -1.434 5.925 -7.174 1.00 31.45 C ATOM 467 OH TYR A 30 -1.925 6.578 -8.281 1.00 4.44 O ATOM 0 H TYR A 30 -0.713 6.314 -2.165 1.00 13.25 H new ATOM 0 HA TYR A 30 1.333 4.257 -2.001 1.00 40.41 H new ATOM 0 HB2 TYR A 30 0.867 3.184 -4.033 1.00 24.11 H new ATOM 0 HB3 TYR A 30 -0.706 3.299 -3.269 1.00 24.11 H new ATOM 0 HD1 TYR A 30 1.409 4.564 -6.002 1.00 45.22 H new ATOM 0 HD2 TYR A 30 -2.424 4.815 -4.158 1.00 3.34 H new ATOM 0 HE1 TYR A 30 0.537 5.731 -7.978 1.00 11.41 H new ATOM 0 HE2 TYR A 30 -3.300 5.980 -6.134 1.00 32.43 H new ATOM 0 HH TYR A 30 -2.873 6.786 -8.144 1.00 4.44 H new ATOM 477 N GLN A 31 2.710 5.569 -3.752 1.00 3.11 N ATOM 478 CA GLN A 31 3.596 6.522 -4.411 1.00 23.43 C ATOM 479 C GLN A 31 4.495 5.819 -5.423 1.00 31.20 C ATOM 480 O GLN A 31 4.755 4.620 -5.312 1.00 51.23 O ATOM 481 CB GLN A 31 4.451 7.256 -3.376 1.00 35.22 C ATOM 482 CG GLN A 31 5.946 7.089 -3.593 1.00 11.31 C ATOM 483 CD GLN A 31 6.771 7.771 -2.519 1.00 71.02 C ATOM 484 OE1 GLN A 31 7.732 7.200 -2.003 1.00 3.51 O ATOM 485 NE2 GLN A 31 6.399 8.999 -2.177 1.00 30.12 N ATOM 0 H GLN A 31 3.100 4.632 -3.647 1.00 3.11 H new ATOM 0 HA GLN A 31 2.978 7.247 -4.942 1.00 23.43 H new ATOM 0 HB2 GLN A 31 4.205 8.318 -3.401 1.00 35.22 H new ATOM 0 HB3 GLN A 31 4.194 6.893 -2.381 1.00 35.22 H new ATOM 0 HG2 GLN A 31 6.190 6.027 -3.614 1.00 11.31 H new ATOM 0 HG3 GLN A 31 6.216 7.497 -4.567 1.00 11.31 H new ATOM 0 HE21 GLN A 31 5.596 9.434 -2.631 1.00 30.12 H new ATOM 0 HE22 GLN A 31 6.917 9.508 -1.460 1.00 30.12 H new ATOM 494 N THR A 32 4.967 6.572 -6.411 1.00 43.42 N ATOM 495 CA THR A 32 5.835 6.022 -7.444 1.00 65.12 C ATOM 496 C THR A 32 7.305 6.237 -7.100 1.00 32.24 C ATOM 497 O THR A 32 7.690 7.305 -6.627 1.00 45.52 O ATOM 498 CB THR A 32 5.544 6.654 -8.818 1.00 45.23 C ATOM 499 OG1 THR A 32 4.162 6.488 -9.151 1.00 73.12 O ATOM 500 CG2 THR A 32 6.411 6.024 -9.898 1.00 73.04 C ATOM 0 H THR A 32 4.762 7.566 -6.518 1.00 43.42 H new ATOM 0 HA THR A 32 5.629 4.953 -7.493 1.00 65.12 H new ATOM 0 HB THR A 32 5.778 7.717 -8.761 1.00 45.23 H new ATOM 0 HG1 THR A 32 4.021 5.594 -9.527 1.00 73.12 H new ATOM 0 HG21 THR A 32 6.188 6.486 -10.860 1.00 73.04 H new ATOM 0 HG22 THR A 32 7.463 6.178 -9.656 1.00 73.04 H new ATOM 0 HG23 THR A 32 6.205 4.955 -9.953 1.00 73.04 H new ATOM 508 N GLU A 33 8.120 5.214 -7.340 1.00 11.43 N ATOM 509 CA GLU A 33 9.548 5.293 -7.054 1.00 14.21 C ATOM 510 C GLU A 33 10.370 4.872 -8.268 1.00 73.55 C ATOM 511 O GLU A 33 9.871 4.185 -9.160 1.00 13.14 O ATOM 512 CB GLU A 33 9.900 4.411 -5.855 1.00 32.34 C ATOM 513 CG GLU A 33 9.785 5.125 -4.519 1.00 12.14 C ATOM 514 CD GLU A 33 9.886 4.177 -3.339 1.00 41.14 C ATOM 515 OE1 GLU A 33 8.882 3.502 -3.032 1.00 14.20 O ATOM 516 OE2 GLU A 33 10.971 4.110 -2.724 1.00 40.33 O ATOM 0 H GLU A 33 7.816 4.322 -7.731 1.00 11.43 H new ATOM 0 HA GLU A 33 9.788 6.329 -6.816 1.00 14.21 H new ATOM 0 HB2 GLU A 33 9.244 3.541 -5.850 1.00 32.34 H new ATOM 0 HB3 GLU A 33 10.919 4.041 -5.973 1.00 32.34 H new ATOM 0 HG2 GLU A 33 10.571 5.877 -4.444 1.00 12.14 H new ATOM 0 HG3 GLU A 33 8.833 5.654 -4.475 1.00 12.14 H new ATOM 523 N GLN A 34 11.631 5.288 -8.295 1.00 44.43 N ATOM 524 CA GLN A 34 12.522 4.955 -9.400 1.00 42.05 C ATOM 525 C GLN A 34 13.352 3.717 -9.077 1.00 35.33 C ATOM 526 O GLN A 34 13.861 3.571 -7.966 1.00 40.34 O ATOM 527 CB GLN A 34 13.445 6.134 -9.713 1.00 2.22 C ATOM 528 CG GLN A 34 13.431 6.547 -11.176 1.00 12.23 C ATOM 529 CD GLN A 34 14.768 6.331 -11.856 1.00 70.24 C ATOM 530 OE1 GLN A 34 15.570 5.501 -11.426 1.00 13.30 O ATOM 531 NE2 GLN A 34 15.016 7.078 -12.926 1.00 72.30 N ATOM 0 H GLN A 34 12.059 5.856 -7.564 1.00 44.43 H new ATOM 0 HA GLN A 34 11.908 4.741 -10.275 1.00 42.05 H new ATOM 0 HB2 GLN A 34 13.152 6.987 -9.101 1.00 2.22 H new ATOM 0 HB3 GLN A 34 14.464 5.872 -9.428 1.00 2.22 H new ATOM 0 HG2 GLN A 34 12.664 5.979 -11.703 1.00 12.23 H new ATOM 0 HG3 GLN A 34 13.156 7.599 -11.250 1.00 12.23 H new ATOM 0 HE21 GLN A 34 14.323 7.754 -13.248 1.00 72.30 H new ATOM 0 HE22 GLN A 34 15.899 6.976 -13.426 1.00 72.30 H new ATOM 540 N GLY A 35 13.482 2.826 -10.055 1.00 23.51 N ATOM 541 CA GLY A 35 14.250 1.611 -9.854 1.00 21.43 C ATOM 542 C GLY A 35 14.201 0.688 -11.055 1.00 72.13 C ATOM 543 O GLY A 35 13.581 1.011 -12.068 1.00 62.12 O ATOM 0 H GLY A 35 13.069 2.924 -10.983 1.00 23.51 H new ATOM 0 HA2 GLY A 35 15.287 1.871 -9.642 1.00 21.43 H new ATOM 0 HA3 GLY A 35 13.868 1.084 -8.979 1.00 21.43 H new ATOM 547 N GLU A 36 14.857 -0.463 -10.943 1.00 50.24 N ATOM 548 CA GLU A 36 14.887 -1.433 -12.031 1.00 74.51 C ATOM 549 C GLU A 36 15.086 -0.739 -13.375 1.00 53.41 C ATOM 550 O GLU A 36 15.618 0.369 -13.440 1.00 60.02 O ATOM 551 CB GLU A 36 13.592 -2.248 -12.053 1.00 34.22 C ATOM 552 CG GLU A 36 12.371 -1.440 -12.458 1.00 14.31 C ATOM 553 CD GLU A 36 11.203 -2.314 -12.872 1.00 31.23 C ATOM 554 OE1 GLU A 36 11.338 -3.049 -13.872 1.00 64.32 O ATOM 555 OE2 GLU A 36 10.154 -2.264 -12.196 1.00 2.52 O ATOM 0 H GLU A 36 15.374 -0.746 -10.111 1.00 50.24 H new ATOM 0 HA GLU A 36 15.729 -2.105 -11.861 1.00 74.51 H new ATOM 0 HB2 GLU A 36 13.710 -3.083 -12.744 1.00 34.22 H new ATOM 0 HB3 GLU A 36 13.424 -2.674 -11.064 1.00 34.22 H new ATOM 0 HG2 GLU A 36 12.068 -0.805 -11.625 1.00 14.31 H new ATOM 0 HG3 GLU A 36 12.635 -0.779 -13.283 1.00 14.31 H new ATOM 562 N ALA A 37 14.655 -1.398 -14.445 1.00 74.32 N ATOM 563 CA ALA A 37 14.784 -0.844 -15.787 1.00 75.43 C ATOM 564 C ALA A 37 14.085 0.507 -15.893 1.00 3.22 C ATOM 565 O ALA A 37 13.673 1.084 -14.887 1.00 45.23 O ATOM 566 CB ALA A 37 14.219 -1.814 -16.815 1.00 32.01 C ATOM 0 H ALA A 37 14.213 -2.317 -14.409 1.00 74.32 H new ATOM 0 HA ALA A 37 15.844 -0.692 -15.990 1.00 75.43 H new ATOM 0 HB1 ALA A 37 14.322 -1.387 -17.813 1.00 32.01 H new ATOM 0 HB2 ALA A 37 14.765 -2.756 -16.765 1.00 32.01 H new ATOM 0 HB3 ALA A 37 13.165 -1.994 -16.604 1.00 32.01 H new ATOM 572 N GLY A 38 13.956 1.008 -17.118 1.00 22.41 N ATOM 573 CA GLY A 38 13.308 2.288 -17.332 1.00 1.45 C ATOM 574 C GLY A 38 11.948 2.368 -16.667 1.00 70.12 C ATOM 575 O GLY A 38 11.454 3.457 -16.378 1.00 71.31 O ATOM 0 H GLY A 38 14.289 0.550 -17.966 1.00 22.41 H new ATOM 0 HA2 GLY A 38 13.945 3.083 -16.946 1.00 1.45 H new ATOM 0 HA3 GLY A 38 13.196 2.461 -18.402 1.00 1.45 H new ATOM 579 N ASN A 39 11.340 1.211 -16.426 1.00 63.32 N ATOM 580 CA ASN A 39 10.027 1.154 -15.794 1.00 3.02 C ATOM 581 C ASN A 39 10.110 1.574 -14.330 1.00 2.45 C ATOM 582 O ASN A 39 11.193 1.614 -13.745 1.00 43.12 O ATOM 583 CB ASN A 39 9.448 -0.258 -15.899 1.00 23.34 C ATOM 584 CG ASN A 39 9.784 -0.925 -17.219 1.00 4.52 C ATOM 585 OD1 ASN A 39 9.617 -0.333 -18.286 1.00 22.25 O ATOM 586 ND2 ASN A 39 10.261 -2.162 -17.152 1.00 61.23 N ATOM 0 H ASN A 39 11.736 0.300 -16.659 1.00 63.32 H new ATOM 0 HA ASN A 39 9.369 1.849 -16.316 1.00 3.02 H new ATOM 0 HB2 ASN A 39 9.831 -0.867 -15.080 1.00 23.34 H new ATOM 0 HB3 ASN A 39 8.365 -0.213 -15.783 1.00 23.34 H new ATOM 0 HD21 ASN A 39 10.506 -2.661 -18.007 1.00 61.23 H new ATOM 0 HD22 ASN A 39 10.383 -2.613 -16.245 1.00 61.23 H new ATOM 593 N ILE A 40 8.959 1.886 -13.743 1.00 43.43 N ATOM 594 CA ILE A 40 8.902 2.302 -12.347 1.00 73.04 C ATOM 595 C ILE A 40 8.107 1.306 -11.510 1.00 21.13 C ATOM 596 O ILE A 40 7.422 0.434 -12.046 1.00 4.00 O ATOM 597 CB ILE A 40 8.269 3.698 -12.201 1.00 52.44 C ATOM 598 CG1 ILE A 40 7.045 3.825 -13.111 1.00 12.23 C ATOM 599 CG2 ILE A 40 9.290 4.779 -12.525 1.00 13.14 C ATOM 600 CD1 ILE A 40 6.307 5.136 -12.951 1.00 74.22 C ATOM 0 H ILE A 40 8.054 1.859 -14.212 1.00 43.43 H new ATOM 0 HA ILE A 40 9.930 2.339 -11.986 1.00 73.04 H new ATOM 0 HB ILE A 40 7.946 3.828 -11.168 1.00 52.44 H new ATOM 0 HG12 ILE A 40 7.361 3.720 -14.149 1.00 12.23 H new ATOM 0 HG13 ILE A 40 6.360 3.004 -12.902 1.00 12.23 H new ATOM 0 HG21 ILE A 40 8.828 5.760 -12.417 1.00 13.14 H new ATOM 0 HG22 ILE A 40 10.134 4.699 -11.841 1.00 13.14 H new ATOM 0 HG23 ILE A 40 9.640 4.653 -13.550 1.00 13.14 H new ATOM 0 HD11 ILE A 40 5.452 5.157 -13.626 1.00 74.22 H new ATOM 0 HD12 ILE A 40 5.960 5.235 -11.922 1.00 74.22 H new ATOM 0 HD13 ILE A 40 6.977 5.962 -13.189 1.00 74.22 H new ATOM 612 N HIS A 41 8.201 1.442 -10.191 1.00 3.32 N ATOM 613 CA HIS A 41 7.489 0.556 -9.278 1.00 20.54 C ATOM 614 C HIS A 41 6.597 1.353 -8.331 1.00 51.12 C ATOM 615 O HIS A 41 6.848 2.530 -8.069 1.00 74.32 O ATOM 616 CB HIS A 41 8.480 -0.287 -8.474 1.00 43.12 C ATOM 617 CG HIS A 41 9.680 0.480 -8.010 1.00 51.31 C ATOM 618 ND1 HIS A 41 10.942 -0.069 -7.936 1.00 64.23 N ATOM 619 CD2 HIS A 41 9.805 1.763 -7.596 1.00 73.10 C ATOM 620 CE1 HIS A 41 11.792 0.842 -7.495 1.00 74.43 C ATOM 621 NE2 HIS A 41 11.126 1.963 -7.282 1.00 25.43 N ATOM 0 H HIS A 41 8.764 2.158 -9.731 1.00 3.32 H new ATOM 0 HA HIS A 41 6.859 -0.105 -9.872 1.00 20.54 H new ATOM 0 HB2 HIS A 41 7.969 -0.705 -7.607 1.00 43.12 H new ATOM 0 HB3 HIS A 41 8.810 -1.127 -9.086 1.00 43.12 H new ATOM 0 HD1 HIS A 41 11.183 -1.029 -8.183 1.00 64.23 H new ATOM 0 HD2 HIS A 41 9.012 2.493 -7.526 1.00 73.10 H new ATOM 0 HE1 HIS A 41 12.850 0.695 -7.336 1.00 74.43 H new ATOM 629 N PHE A 42 5.554 0.705 -7.822 1.00 4.22 N ATOM 630 CA PHE A 42 4.624 1.354 -6.906 1.00 11.52 C ATOM 631 C PHE A 42 4.799 0.823 -5.486 1.00 54.40 C ATOM 632 O PHE A 42 4.963 -0.378 -5.278 1.00 63.34 O ATOM 633 CB PHE A 42 3.182 1.137 -7.370 1.00 64.52 C ATOM 634 CG PHE A 42 2.744 2.099 -8.437 1.00 63.30 C ATOM 635 CD1 PHE A 42 3.578 2.400 -9.501 1.00 44.54 C ATOM 636 CD2 PHE A 42 1.498 2.702 -8.375 1.00 64.12 C ATOM 637 CE1 PHE A 42 3.178 3.285 -10.485 1.00 43.21 C ATOM 638 CE2 PHE A 42 1.093 3.587 -9.356 1.00 54.01 C ATOM 639 CZ PHE A 42 1.934 3.880 -10.412 1.00 20.04 C ATOM 0 H PHE A 42 5.332 -0.269 -8.029 1.00 4.22 H new ATOM 0 HA PHE A 42 4.841 2.422 -6.905 1.00 11.52 H new ATOM 0 HB2 PHE A 42 3.079 0.119 -7.746 1.00 64.52 H new ATOM 0 HB3 PHE A 42 2.515 1.230 -6.513 1.00 64.52 H new ATOM 0 HD1 PHE A 42 4.552 1.938 -9.563 1.00 44.54 H new ATOM 0 HD2 PHE A 42 0.836 2.478 -7.551 1.00 64.12 H new ATOM 0 HE1 PHE A 42 3.838 3.511 -11.310 1.00 43.21 H new ATOM 0 HE2 PHE A 42 0.119 4.050 -9.297 1.00 54.01 H new ATOM 0 HZ PHE A 42 1.619 4.573 -11.179 1.00 20.04 H new ATOM 649 N GLN A 43 4.762 1.729 -4.513 1.00 72.54 N ATOM 650 CA GLN A 43 4.917 1.352 -3.113 1.00 61.55 C ATOM 651 C GLN A 43 4.071 2.245 -2.212 1.00 70.41 C ATOM 652 O GLN A 43 3.784 3.392 -2.551 1.00 75.33 O ATOM 653 CB GLN A 43 6.388 1.437 -2.701 1.00 35.24 C ATOM 654 CG GLN A 43 7.070 0.082 -2.597 1.00 51.32 C ATOM 655 CD GLN A 43 8.536 0.137 -2.980 1.00 72.40 C ATOM 656 OE1 GLN A 43 9.417 -0.004 -2.131 1.00 74.21 O ATOM 657 NE2 GLN A 43 8.805 0.342 -4.264 1.00 64.50 N ATOM 0 H GLN A 43 4.626 2.728 -4.669 1.00 72.54 H new ATOM 0 HA GLN A 43 4.574 0.324 -2.999 1.00 61.55 H new ATOM 0 HB2 GLN A 43 6.925 2.050 -3.425 1.00 35.24 H new ATOM 0 HB3 GLN A 43 6.459 1.945 -1.739 1.00 35.24 H new ATOM 0 HG2 GLN A 43 6.978 -0.289 -1.576 1.00 51.32 H new ATOM 0 HG3 GLN A 43 6.556 -0.630 -3.243 1.00 51.32 H new ATOM 0 HE21 GLN A 43 8.043 0.453 -4.933 1.00 64.50 H new ATOM 0 HE22 GLN A 43 9.773 0.388 -4.581 1.00 64.50 H new ATOM 666 N GLY A 44 3.674 1.710 -1.061 1.00 64.21 N ATOM 667 CA GLY A 44 2.864 2.472 -0.129 1.00 43.10 C ATOM 668 C GLY A 44 2.166 1.591 0.888 1.00 62.13 C ATOM 669 O GLY A 44 2.470 0.403 1.003 1.00 3.30 O ATOM 0 H GLY A 44 3.899 0.762 -0.758 1.00 64.21 H new ATOM 0 HA2 GLY A 44 3.495 3.192 0.391 1.00 43.10 H new ATOM 0 HA3 GLY A 44 2.119 3.043 -0.683 1.00 43.10 H new ATOM 673 N TYR A 45 1.229 2.173 1.628 1.00 63.40 N ATOM 674 CA TYR A 45 0.489 1.433 2.643 1.00 11.24 C ATOM 675 C TYR A 45 -1.013 1.514 2.390 1.00 52.34 C ATOM 676 O TYR A 45 -1.534 2.564 2.012 1.00 13.33 O ATOM 677 CB TYR A 45 0.812 1.976 4.037 1.00 60.15 C ATOM 678 CG TYR A 45 0.347 3.398 4.255 1.00 20.12 C ATOM 679 CD1 TYR A 45 -0.956 3.670 4.654 1.00 71.31 C ATOM 680 CD2 TYR A 45 1.210 4.470 4.062 1.00 31.54 C ATOM 681 CE1 TYR A 45 -1.386 4.967 4.854 1.00 2.33 C ATOM 682 CE2 TYR A 45 0.789 5.770 4.262 1.00 44.11 C ATOM 683 CZ TYR A 45 -0.509 6.014 4.658 1.00 73.05 C ATOM 684 OH TYR A 45 -0.932 7.308 4.856 1.00 55.21 O ATOM 0 H TYR A 45 0.964 3.154 1.544 1.00 63.40 H new ATOM 0 HA TYR A 45 0.793 0.388 2.587 1.00 11.24 H new ATOM 0 HB2 TYR A 45 0.349 1.332 4.785 1.00 60.15 H new ATOM 0 HB3 TYR A 45 1.889 1.926 4.197 1.00 60.15 H new ATOM 0 HD1 TYR A 45 -1.644 2.853 4.810 1.00 71.31 H new ATOM 0 HD2 TYR A 45 2.227 4.283 3.750 1.00 31.54 H new ATOM 0 HE1 TYR A 45 -2.403 5.161 5.162 1.00 2.33 H new ATOM 0 HE2 TYR A 45 1.473 6.592 4.109 1.00 44.11 H new ATOM 0 HH TYR A 45 -1.632 7.322 5.542 1.00 55.21 H new ATOM 694 N ILE A 46 -1.703 0.398 2.600 1.00 52.41 N ATOM 695 CA ILE A 46 -3.145 0.343 2.396 1.00 34.30 C ATOM 696 C ILE A 46 -3.845 -0.302 3.588 1.00 65.31 C ATOM 697 O ILE A 46 -3.484 -1.400 4.012 1.00 43.33 O ATOM 698 CB ILE A 46 -3.504 -0.441 1.119 1.00 4.14 C ATOM 699 CG1 ILE A 46 -2.741 0.122 -0.082 1.00 1.24 C ATOM 700 CG2 ILE A 46 -5.004 -0.392 0.871 1.00 2.04 C ATOM 701 CD1 ILE A 46 -2.891 -0.709 -1.336 1.00 65.52 C ATOM 0 H ILE A 46 -1.287 -0.480 2.911 1.00 52.41 H new ATOM 0 HA ILE A 46 -3.488 1.372 2.289 1.00 34.30 H new ATOM 0 HB ILE A 46 -3.212 -1.482 1.255 1.00 4.14 H new ATOM 0 HG12 ILE A 46 -3.091 1.134 -0.283 1.00 1.24 H new ATOM 0 HG13 ILE A 46 -1.683 0.195 0.171 1.00 1.24 H new ATOM 0 HG21 ILE A 46 -5.241 -0.950 -0.035 1.00 2.04 H new ATOM 0 HG22 ILE A 46 -5.528 -0.835 1.718 1.00 2.04 H new ATOM 0 HG23 ILE A 46 -5.319 0.645 0.751 1.00 2.04 H new ATOM 0 HD11 ILE A 46 -2.324 -0.251 -2.146 1.00 65.52 H new ATOM 0 HD12 ILE A 46 -2.514 -1.715 -1.153 1.00 65.52 H new ATOM 0 HD13 ILE A 46 -3.944 -0.761 -1.614 1.00 65.52 H new ATOM 713 N GLU A 47 -4.848 0.387 4.123 1.00 62.24 N ATOM 714 CA GLU A 47 -5.598 -0.120 5.265 1.00 34.32 C ATOM 715 C GLU A 47 -6.951 -0.672 4.826 1.00 74.53 C ATOM 716 O GLU A 47 -7.763 0.041 4.238 1.00 53.25 O ATOM 717 CB GLU A 47 -5.799 0.986 6.303 1.00 35.11 C ATOM 718 CG GLU A 47 -4.503 1.628 6.768 1.00 61.34 C ATOM 719 CD GLU A 47 -4.687 3.071 7.196 1.00 61.41 C ATOM 720 OE1 GLU A 47 -5.842 3.545 7.204 1.00 42.10 O ATOM 721 OE2 GLU A 47 -3.675 3.725 7.523 1.00 1.32 O ATOM 0 H GLU A 47 -5.159 1.297 3.784 1.00 62.24 H new ATOM 0 HA GLU A 47 -5.023 -0.930 5.714 1.00 34.32 H new ATOM 0 HB2 GLU A 47 -6.445 1.756 5.881 1.00 35.11 H new ATOM 0 HB3 GLU A 47 -6.320 0.572 7.166 1.00 35.11 H new ATOM 0 HG2 GLU A 47 -4.097 1.055 7.601 1.00 61.34 H new ATOM 0 HG3 GLU A 47 -3.770 1.583 5.963 1.00 61.34 H new ATOM 728 N MET A 48 -7.186 -1.948 5.115 1.00 24.24 N ATOM 729 CA MET A 48 -8.440 -2.596 4.751 1.00 60.52 C ATOM 730 C MET A 48 -9.538 -2.258 5.754 1.00 73.23 C ATOM 731 O MET A 48 -9.314 -1.513 6.708 1.00 53.23 O ATOM 732 CB MET A 48 -8.252 -4.113 4.675 1.00 41.22 C ATOM 733 CG MET A 48 -7.404 -4.562 3.496 1.00 4.30 C ATOM 734 SD MET A 48 -8.373 -5.378 2.214 1.00 71.24 S ATOM 735 CE MET A 48 -8.892 -3.971 1.234 1.00 31.23 C ATOM 0 H MET A 48 -6.524 -2.553 5.600 1.00 24.24 H new ATOM 0 HA MET A 48 -8.741 -2.225 3.771 1.00 60.52 H new ATOM 0 HB2 MET A 48 -7.789 -4.460 5.598 1.00 41.22 H new ATOM 0 HB3 MET A 48 -9.230 -4.589 4.611 1.00 41.22 H new ATOM 0 HG2 MET A 48 -6.897 -3.697 3.068 1.00 4.30 H new ATOM 0 HG3 MET A 48 -6.629 -5.243 3.849 1.00 4.30 H new ATOM 0 HE1 MET A 48 -9.969 -3.836 1.334 1.00 31.23 H new ATOM 0 HE2 MET A 48 -8.380 -3.075 1.584 1.00 31.23 H new ATOM 0 HE3 MET A 48 -8.644 -4.145 0.187 1.00 31.23 H new ATOM 745 N LYS A 49 -10.726 -2.810 5.532 1.00 74.31 N ATOM 746 CA LYS A 49 -11.860 -2.568 6.416 1.00 31.42 C ATOM 747 C LYS A 49 -11.495 -2.873 7.865 1.00 24.34 C ATOM 748 O LYS A 49 -11.576 -2.004 8.733 1.00 0.14 O ATOM 749 CB LYS A 49 -13.057 -3.422 5.990 1.00 24.35 C ATOM 750 CG LYS A 49 -14.360 -2.647 5.913 1.00 14.13 C ATOM 751 CD LYS A 49 -15.366 -3.335 5.005 1.00 24.21 C ATOM 752 CE LYS A 49 -15.762 -4.701 5.546 1.00 44.43 C ATOM 753 NZ LYS A 49 -17.210 -4.764 5.884 1.00 34.24 N ATOM 0 H LYS A 49 -10.929 -3.429 4.747 1.00 74.31 H new ATOM 0 HA LYS A 49 -12.128 -1.514 6.341 1.00 31.42 H new ATOM 0 HB2 LYS A 49 -12.849 -3.864 5.016 1.00 24.35 H new ATOM 0 HB3 LYS A 49 -13.175 -4.245 6.695 1.00 24.35 H new ATOM 0 HG2 LYS A 49 -14.782 -2.543 6.913 1.00 14.13 H new ATOM 0 HG3 LYS A 49 -14.164 -1.640 5.544 1.00 14.13 H new ATOM 0 HD2 LYS A 49 -16.254 -2.711 4.905 1.00 24.21 H new ATOM 0 HD3 LYS A 49 -14.941 -3.447 4.008 1.00 24.21 H new ATOM 0 HE2 LYS A 49 -15.528 -5.467 4.806 1.00 44.43 H new ATOM 0 HE3 LYS A 49 -15.171 -4.925 6.434 1.00 44.43 H new ATOM 0 HZ1 LYS A 49 -17.440 -5.710 6.249 1.00 34.24 H new ATOM 0 HZ2 LYS A 49 -17.429 -4.051 6.608 1.00 34.24 H new ATOM 0 HZ3 LYS A 49 -17.774 -4.575 5.031 1.00 34.24 H new ATOM 767 N LYS A 50 -11.090 -4.113 8.120 1.00 11.05 N ATOM 768 CA LYS A 50 -10.709 -4.533 9.464 1.00 42.23 C ATOM 769 C LYS A 50 -10.246 -5.986 9.469 1.00 70.23 C ATOM 770 O LYS A 50 -9.050 -6.266 9.547 1.00 23.13 O ATOM 771 CB LYS A 50 -11.884 -4.357 10.428 1.00 32.40 C ATOM 772 CG LYS A 50 -11.725 -3.179 11.373 1.00 22.33 C ATOM 773 CD LYS A 50 -11.146 -3.611 12.710 1.00 23.41 C ATOM 774 CE LYS A 50 -12.240 -4.004 13.691 1.00 70.43 C ATOM 775 NZ LYS A 50 -11.835 -5.159 14.540 1.00 75.14 N ATOM 0 H LYS A 50 -11.017 -4.845 7.413 1.00 11.05 H new ATOM 0 HA LYS A 50 -9.881 -3.905 9.793 1.00 42.23 H new ATOM 0 HB2 LYS A 50 -12.800 -4.228 9.851 1.00 32.40 H new ATOM 0 HB3 LYS A 50 -12.002 -5.269 11.014 1.00 32.40 H new ATOM 0 HG2 LYS A 50 -11.075 -2.432 10.918 1.00 22.33 H new ATOM 0 HG3 LYS A 50 -12.694 -2.705 11.531 1.00 22.33 H new ATOM 0 HD2 LYS A 50 -10.471 -4.453 12.560 1.00 23.41 H new ATOM 0 HD3 LYS A 50 -10.554 -2.798 13.131 1.00 23.41 H new ATOM 0 HE2 LYS A 50 -12.480 -3.152 14.327 1.00 70.43 H new ATOM 0 HE3 LYS A 50 -13.147 -4.257 13.142 1.00 70.43 H new ATOM 0 HZ1 LYS A 50 -12.607 -5.396 15.195 1.00 75.14 H new ATOM 0 HZ2 LYS A 50 -11.630 -5.980 13.935 1.00 75.14 H new ATOM 0 HZ3 LYS A 50 -10.985 -4.909 15.084 1.00 75.14 H new ATOM 789 N ARG A 51 -11.201 -6.907 9.383 1.00 3.21 N ATOM 790 CA ARG A 51 -10.890 -8.331 9.377 1.00 32.25 C ATOM 791 C ARG A 51 -10.682 -8.837 7.953 1.00 42.32 C ATOM 792 O ARG A 51 -11.224 -9.872 7.564 1.00 42.24 O ATOM 793 CB ARG A 51 -12.013 -9.122 10.052 1.00 63.34 C ATOM 794 CG ARG A 51 -11.588 -10.505 10.517 1.00 32.54 C ATOM 795 CD ARG A 51 -12.106 -10.806 11.915 1.00 12.12 C ATOM 796 NE ARG A 51 -11.308 -10.150 12.947 1.00 11.14 N ATOM 797 CZ ARG A 51 -10.151 -10.625 13.395 1.00 71.14 C ATOM 798 NH1 ARG A 51 -9.659 -11.754 12.902 1.00 14.32 N ATOM 799 NH2 ARG A 51 -9.483 -9.971 14.336 1.00 50.30 N ATOM 0 H ARG A 51 -12.196 -6.692 9.317 1.00 3.21 H new ATOM 0 HA ARG A 51 -9.965 -8.478 9.934 1.00 32.25 H new ATOM 0 HB2 ARG A 51 -12.380 -8.557 10.909 1.00 63.34 H new ATOM 0 HB3 ARG A 51 -12.845 -9.222 9.355 1.00 63.34 H new ATOM 0 HG2 ARG A 51 -11.961 -11.255 9.820 1.00 32.54 H new ATOM 0 HG3 ARG A 51 -10.500 -10.575 10.508 1.00 32.54 H new ATOM 0 HD2 ARG A 51 -13.143 -10.479 11.996 1.00 12.12 H new ATOM 0 HD3 ARG A 51 -12.098 -11.883 12.081 1.00 12.12 H new ATOM 0 HE ARG A 51 -11.658 -9.279 13.346 1.00 11.14 H new ATOM 0 HH11 ARG A 51 -10.169 -12.259 12.178 1.00 14.32 H new ATOM 0 HH12 ARG A 51 -8.771 -12.117 13.247 1.00 14.32 H new ATOM 0 HH21 ARG A 51 -9.858 -9.102 14.717 1.00 50.30 H new ATOM 0 HH22 ARG A 51 -8.595 -10.337 14.679 1.00 50.30 H new ATOM 813 N THR A 52 -9.893 -8.099 7.178 1.00 40.31 N ATOM 814 CA THR A 52 -9.614 -8.470 5.796 1.00 33.35 C ATOM 815 C THR A 52 -8.204 -9.031 5.652 1.00 72.03 C ATOM 816 O THR A 52 -7.220 -8.326 5.872 1.00 43.41 O ATOM 817 CB THR A 52 -9.776 -7.268 4.848 1.00 52.24 C ATOM 818 OG1 THR A 52 -10.535 -6.236 5.489 1.00 61.42 O ATOM 819 CG2 THR A 52 -10.467 -7.685 3.558 1.00 22.10 C ATOM 0 H THR A 52 -9.436 -7.240 7.484 1.00 40.31 H new ATOM 0 HA THR A 52 -10.337 -9.238 5.522 1.00 33.35 H new ATOM 0 HB THR A 52 -8.783 -6.890 4.604 1.00 52.24 H new ATOM 0 HG1 THR A 52 -11.032 -5.728 4.814 1.00 61.42 H new ATOM 0 HG21 THR A 52 -10.570 -6.819 2.904 1.00 22.10 H new ATOM 0 HG22 THR A 52 -9.872 -8.449 3.057 1.00 22.10 H new ATOM 0 HG23 THR A 52 -11.454 -8.086 3.787 1.00 22.10 H new ATOM 827 N SER A 53 -8.114 -10.304 5.280 1.00 42.14 N ATOM 828 CA SER A 53 -6.823 -10.960 5.108 1.00 20.33 C ATOM 829 C SER A 53 -6.161 -10.525 3.805 1.00 43.32 C ATOM 830 O SER A 53 -6.716 -9.726 3.049 1.00 3.44 O ATOM 831 CB SER A 53 -6.994 -12.481 5.123 1.00 12.45 C ATOM 832 OG SER A 53 -8.208 -12.863 4.501 1.00 35.22 O ATOM 0 H SER A 53 -8.919 -10.901 5.092 1.00 42.14 H new ATOM 0 HA SER A 53 -6.180 -10.665 5.938 1.00 20.33 H new ATOM 0 HB2 SER A 53 -6.155 -12.950 4.609 1.00 12.45 H new ATOM 0 HB3 SER A 53 -6.979 -12.842 6.151 1.00 12.45 H new ATOM 0 HG SER A 53 -8.293 -13.839 4.522 1.00 35.22 H new ATOM 838 N LEU A 54 -4.970 -11.055 3.547 1.00 34.54 N ATOM 839 CA LEU A 54 -4.230 -10.723 2.335 1.00 13.41 C ATOM 840 C LEU A 54 -5.093 -10.934 1.095 1.00 21.50 C ATOM 841 O LEU A 54 -4.927 -10.248 0.087 1.00 71.40 O ATOM 842 CB LEU A 54 -2.962 -11.572 2.239 1.00 3.11 C ATOM 843 CG LEU A 54 -2.044 -11.275 1.053 1.00 64.32 C ATOM 844 CD1 LEU A 54 -1.454 -9.879 1.171 1.00 43.54 C ATOM 845 CD2 LEU A 54 -0.938 -12.317 0.961 1.00 51.05 C ATOM 0 H LEU A 54 -4.496 -11.717 4.162 1.00 34.54 H new ATOM 0 HA LEU A 54 -3.951 -9.670 2.386 1.00 13.41 H new ATOM 0 HB2 LEU A 54 -2.390 -11.440 3.157 1.00 3.11 H new ATOM 0 HB3 LEU A 54 -3.254 -12.621 2.193 1.00 3.11 H new ATOM 0 HG LEU A 54 -2.637 -11.321 0.139 1.00 64.32 H new ATOM 0 HD11 LEU A 54 -0.803 -9.686 0.318 1.00 43.54 H new ATOM 0 HD12 LEU A 54 -2.259 -9.144 1.188 1.00 43.54 H new ATOM 0 HD13 LEU A 54 -0.876 -9.805 2.092 1.00 43.54 H new ATOM 0 HD21 LEU A 54 -0.294 -12.090 0.111 1.00 51.05 H new ATOM 0 HD22 LEU A 54 -0.348 -12.303 1.877 1.00 51.05 H new ATOM 0 HD23 LEU A 54 -1.379 -13.305 0.828 1.00 51.05 H new ATOM 857 N ALA A 55 -6.015 -11.888 1.178 1.00 53.40 N ATOM 858 CA ALA A 55 -6.907 -12.187 0.064 1.00 1.23 C ATOM 859 C ALA A 55 -7.634 -10.933 -0.409 1.00 41.21 C ATOM 860 O ALA A 55 -7.952 -10.796 -1.590 1.00 20.24 O ATOM 861 CB ALA A 55 -7.908 -13.261 0.464 1.00 51.34 C ATOM 0 H ALA A 55 -6.164 -12.467 2.005 1.00 53.40 H new ATOM 0 HA ALA A 55 -6.303 -12.559 -0.764 1.00 1.23 H new ATOM 0 HB1 ALA A 55 -8.568 -13.475 -0.377 1.00 51.34 H new ATOM 0 HB2 ALA A 55 -7.374 -14.169 0.746 1.00 51.34 H new ATOM 0 HB3 ALA A 55 -8.500 -12.910 1.309 1.00 51.34 H new ATOM 867 N GLY A 56 -7.895 -10.019 0.521 1.00 41.23 N ATOM 868 CA GLY A 56 -8.584 -8.788 0.178 1.00 24.15 C ATOM 869 C GLY A 56 -7.719 -7.847 -0.636 1.00 44.20 C ATOM 870 O GLY A 56 -8.164 -7.301 -1.645 1.00 1.31 O ATOM 0 H GLY A 56 -7.642 -10.109 1.505 1.00 41.23 H new ATOM 0 HA2 GLY A 56 -9.487 -9.025 -0.385 1.00 24.15 H new ATOM 0 HA3 GLY A 56 -8.901 -8.286 1.092 1.00 24.15 H new ATOM 874 N MET A 57 -6.479 -7.655 -0.197 1.00 31.34 N ATOM 875 CA MET A 57 -5.550 -6.773 -0.892 1.00 41.44 C ATOM 876 C MET A 57 -5.071 -7.405 -2.195 1.00 22.51 C ATOM 877 O MET A 57 -5.096 -6.773 -3.251 1.00 4.42 O ATOM 878 CB MET A 57 -4.352 -6.451 0.003 1.00 43.43 C ATOM 879 CG MET A 57 -4.735 -5.787 1.316 1.00 62.23 C ATOM 880 SD MET A 57 -4.582 -3.992 1.257 1.00 13.41 S ATOM 881 CE MET A 57 -5.898 -3.577 0.114 1.00 22.23 C ATOM 0 H MET A 57 -6.095 -8.099 0.637 1.00 31.34 H new ATOM 0 HA MET A 57 -6.076 -5.848 -1.129 1.00 41.44 H new ATOM 0 HB2 MET A 57 -3.810 -7.372 0.216 1.00 43.43 H new ATOM 0 HB3 MET A 57 -3.669 -5.797 -0.540 1.00 43.43 H new ATOM 0 HG2 MET A 57 -5.762 -6.052 1.567 1.00 62.23 H new ATOM 0 HG3 MET A 57 -4.102 -6.176 2.114 1.00 62.23 H new ATOM 0 HE1 MET A 57 -5.469 -3.280 -0.843 1.00 22.23 H new ATOM 0 HE2 MET A 57 -6.541 -4.445 -0.031 1.00 22.23 H new ATOM 0 HE3 MET A 57 -6.486 -2.753 0.519 1.00 22.23 H new ATOM 891 N LYS A 58 -4.635 -8.658 -2.114 1.00 5.14 N ATOM 892 CA LYS A 58 -4.150 -9.378 -3.286 1.00 13.54 C ATOM 893 C LYS A 58 -5.213 -9.414 -4.379 1.00 43.54 C ATOM 894 O LYS A 58 -4.895 -9.517 -5.565 1.00 35.05 O ATOM 895 CB LYS A 58 -3.748 -10.804 -2.903 1.00 41.25 C ATOM 896 CG LYS A 58 -2.526 -11.312 -3.649 1.00 40.52 C ATOM 897 CD LYS A 58 -1.483 -11.871 -2.696 1.00 14.12 C ATOM 898 CE LYS A 58 -1.972 -13.143 -2.019 1.00 40.54 C ATOM 899 NZ LYS A 58 -0.856 -14.092 -1.752 1.00 35.13 N ATOM 0 H LYS A 58 -4.608 -9.196 -1.248 1.00 5.14 H new ATOM 0 HA LYS A 58 -3.276 -8.852 -3.670 1.00 13.54 H new ATOM 0 HB2 LYS A 58 -3.551 -10.842 -1.832 1.00 41.25 H new ATOM 0 HB3 LYS A 58 -4.586 -11.473 -3.097 1.00 41.25 H new ATOM 0 HG2 LYS A 58 -2.826 -12.086 -4.356 1.00 40.52 H new ATOM 0 HG3 LYS A 58 -2.090 -10.500 -4.231 1.00 40.52 H new ATOM 0 HD2 LYS A 58 -0.563 -12.079 -3.243 1.00 14.12 H new ATOM 0 HD3 LYS A 58 -1.242 -11.124 -1.939 1.00 14.12 H new ATOM 0 HE2 LYS A 58 -2.465 -12.889 -1.081 1.00 40.54 H new ATOM 0 HE3 LYS A 58 -2.717 -13.627 -2.650 1.00 40.54 H new ATOM 0 HZ1 LYS A 58 -1.130 -14.745 -0.991 1.00 35.13 H new ATOM 0 HZ2 LYS A 58 -0.647 -14.634 -2.615 1.00 35.13 H new ATOM 0 HZ3 LYS A 58 -0.010 -13.561 -1.464 1.00 35.13 H new ATOM 913 N LYS A 59 -6.475 -9.326 -3.975 1.00 33.04 N ATOM 914 CA LYS A 59 -7.585 -9.346 -4.920 1.00 14.43 C ATOM 915 C LYS A 59 -7.510 -8.156 -5.872 1.00 34.22 C ATOM 916 O LYS A 59 -7.920 -8.248 -7.030 1.00 21.21 O ATOM 917 CB LYS A 59 -8.920 -9.330 -4.171 1.00 1.30 C ATOM 918 CG LYS A 59 -9.551 -10.703 -4.024 1.00 32.42 C ATOM 919 CD LYS A 59 -10.343 -11.089 -5.262 1.00 14.50 C ATOM 920 CE LYS A 59 -10.304 -12.590 -5.505 1.00 5.45 C ATOM 921 NZ LYS A 59 -11.637 -13.124 -5.895 1.00 54.24 N ATOM 0 H LYS A 59 -6.755 -9.240 -2.998 1.00 33.04 H new ATOM 0 HA LYS A 59 -7.515 -10.263 -5.505 1.00 14.43 H new ATOM 0 HB2 LYS A 59 -8.766 -8.902 -3.180 1.00 1.30 H new ATOM 0 HB3 LYS A 59 -9.614 -8.675 -4.697 1.00 1.30 H new ATOM 0 HG2 LYS A 59 -8.773 -11.444 -3.843 1.00 32.42 H new ATOM 0 HG3 LYS A 59 -10.207 -10.711 -3.154 1.00 32.42 H new ATOM 0 HD2 LYS A 59 -11.377 -10.765 -5.149 1.00 14.50 H new ATOM 0 HD3 LYS A 59 -9.939 -10.568 -6.130 1.00 14.50 H new ATOM 0 HE2 LYS A 59 -9.580 -12.812 -6.289 1.00 5.45 H new ATOM 0 HE3 LYS A 59 -9.961 -13.095 -4.602 1.00 5.45 H new ATOM 0 HZ1 LYS A 59 -11.568 -14.150 -6.051 1.00 54.24 H new ATOM 0 HZ2 LYS A 59 -12.322 -12.935 -5.136 1.00 54.24 H new ATOM 0 HZ3 LYS A 59 -11.954 -12.661 -6.771 1.00 54.24 H new ATOM 935 N LEU A 60 -6.984 -7.041 -5.378 1.00 31.13 N ATOM 936 CA LEU A 60 -6.854 -5.833 -6.185 1.00 62.34 C ATOM 937 C LEU A 60 -5.619 -5.905 -7.078 1.00 21.52 C ATOM 938 O LEU A 60 -5.648 -5.473 -8.231 1.00 31.55 O ATOM 939 CB LEU A 60 -6.775 -4.600 -5.284 1.00 45.33 C ATOM 940 CG LEU A 60 -8.087 -4.156 -4.636 1.00 64.52 C ATOM 941 CD1 LEU A 60 -8.425 -5.049 -3.452 1.00 51.30 C ATOM 942 CD2 LEU A 60 -8.002 -2.700 -4.202 1.00 61.42 C ATOM 0 H LEU A 60 -6.640 -6.948 -4.422 1.00 31.13 H new ATOM 0 HA LEU A 60 -7.736 -5.754 -6.821 1.00 62.34 H new ATOM 0 HB2 LEU A 60 -6.052 -4.799 -4.493 1.00 45.33 H new ATOM 0 HB3 LEU A 60 -6.384 -3.770 -5.872 1.00 45.33 H new ATOM 0 HG LEU A 60 -8.884 -4.248 -5.374 1.00 64.52 H new ATOM 0 HD11 LEU A 60 -9.362 -4.719 -3.003 1.00 51.30 H new ATOM 0 HD12 LEU A 60 -8.529 -6.080 -3.792 1.00 51.30 H new ATOM 0 HD13 LEU A 60 -7.627 -4.990 -2.712 1.00 51.30 H new ATOM 0 HD21 LEU A 60 -8.945 -2.402 -3.743 1.00 61.42 H new ATOM 0 HD22 LEU A 60 -7.194 -2.582 -3.480 1.00 61.42 H new ATOM 0 HD23 LEU A 60 -7.807 -2.072 -5.071 1.00 61.42 H new ATOM 954 N ILE A 61 -4.537 -6.456 -6.538 1.00 3.30 N ATOM 955 CA ILE A 61 -3.293 -6.587 -7.287 1.00 20.43 C ATOM 956 C ILE A 61 -2.605 -7.913 -6.981 1.00 30.51 C ATOM 957 O ILE A 61 -1.617 -7.974 -6.248 1.00 72.55 O ATOM 958 CB ILE A 61 -2.322 -5.434 -6.973 1.00 10.23 C ATOM 959 CG1 ILE A 61 -3.028 -4.086 -7.134 1.00 0.13 C ATOM 960 CG2 ILE A 61 -1.100 -5.509 -7.876 1.00 72.30 C ATOM 961 CD1 ILE A 61 -3.694 -3.597 -5.866 1.00 62.43 C ATOM 0 H ILE A 61 -4.497 -6.819 -5.585 1.00 3.30 H new ATOM 0 HA ILE A 61 -3.556 -6.551 -8.344 1.00 20.43 H new ATOM 0 HB ILE A 61 -1.991 -5.529 -5.939 1.00 10.23 H new ATOM 0 HG12 ILE A 61 -2.303 -3.342 -7.464 1.00 0.13 H new ATOM 0 HG13 ILE A 61 -3.779 -4.170 -7.920 1.00 0.13 H new ATOM 0 HG21 ILE A 61 -0.423 -4.687 -7.642 1.00 72.30 H new ATOM 0 HG22 ILE A 61 -0.588 -6.458 -7.717 1.00 72.30 H new ATOM 0 HG23 ILE A 61 -1.412 -5.436 -8.918 1.00 72.30 H new ATOM 0 HD11 ILE A 61 -4.174 -2.637 -6.054 1.00 62.43 H new ATOM 0 HD12 ILE A 61 -4.443 -4.321 -5.546 1.00 62.43 H new ATOM 0 HD13 ILE A 61 -2.945 -3.481 -5.083 1.00 62.43 H new ATOM 973 N PRO A 62 -3.137 -9.002 -7.556 1.00 22.30 N ATOM 974 CA PRO A 62 -2.589 -10.348 -7.362 1.00 5.14 C ATOM 975 C PRO A 62 -1.237 -10.527 -8.044 1.00 62.32 C ATOM 976 O PRO A 62 -1.113 -10.345 -9.254 1.00 45.14 O ATOM 977 CB PRO A 62 -3.638 -11.255 -8.008 1.00 34.44 C ATOM 978 CG PRO A 62 -4.316 -10.393 -9.016 1.00 3.00 C ATOM 979 CD PRO A 62 -4.314 -9.004 -8.441 1.00 1.32 C ATOM 0 HA PRO A 62 -2.407 -10.566 -6.310 1.00 5.14 H new ATOM 0 HB2 PRO A 62 -3.175 -12.123 -8.477 1.00 34.44 H new ATOM 0 HB3 PRO A 62 -4.345 -11.631 -7.269 1.00 34.44 H new ATOM 0 HG2 PRO A 62 -3.790 -10.421 -9.970 1.00 3.00 H new ATOM 0 HG3 PRO A 62 -5.333 -10.737 -9.202 1.00 3.00 H new ATOM 0 HD2 PRO A 62 -4.232 -8.247 -9.221 1.00 1.32 H new ATOM 0 HD3 PRO A 62 -5.231 -8.796 -7.890 1.00 1.32 H new ATOM 987 N GLY A 63 -0.225 -10.887 -7.259 1.00 54.52 N ATOM 988 CA GLY A 63 1.104 -11.085 -7.806 1.00 40.23 C ATOM 989 C GLY A 63 2.145 -10.217 -7.128 1.00 44.11 C ATOM 990 O GLY A 63 3.318 -10.585 -7.055 1.00 55.42 O ATOM 0 H GLY A 63 -0.303 -11.045 -6.254 1.00 54.52 H new ATOM 0 HA2 GLY A 63 1.385 -12.133 -7.700 1.00 40.23 H new ATOM 0 HA3 GLY A 63 1.091 -10.865 -8.873 1.00 40.23 H new ATOM 994 N ALA A 64 1.718 -9.061 -6.632 1.00 14.32 N ATOM 995 CA ALA A 64 2.622 -8.138 -5.956 1.00 34.31 C ATOM 996 C ALA A 64 3.080 -8.703 -4.616 1.00 4.44 C ATOM 997 O ALA A 64 2.527 -9.686 -4.123 1.00 23.34 O ATOM 998 CB ALA A 64 1.948 -6.788 -5.760 1.00 21.14 C ATOM 0 H ALA A 64 0.751 -8.741 -6.685 1.00 14.32 H new ATOM 0 HA ALA A 64 3.503 -8.004 -6.584 1.00 34.31 H new ATOM 0 HB1 ALA A 64 2.634 -6.109 -5.254 1.00 21.14 H new ATOM 0 HB2 ALA A 64 1.676 -6.373 -6.730 1.00 21.14 H new ATOM 0 HB3 ALA A 64 1.050 -6.914 -5.155 1.00 21.14 H new ATOM 1004 N HIS A 65 4.095 -8.074 -4.030 1.00 63.54 N ATOM 1005 CA HIS A 65 4.629 -8.515 -2.746 1.00 54.41 C ATOM 1006 C HIS A 65 3.989 -7.740 -1.598 1.00 10.21 C ATOM 1007 O HIS A 65 4.194 -6.534 -1.459 1.00 41.31 O ATOM 1008 CB HIS A 65 6.147 -8.338 -2.713 1.00 11.32 C ATOM 1009 CG HIS A 65 6.825 -9.180 -1.677 1.00 5.34 C ATOM 1010 ND1 HIS A 65 7.971 -9.906 -1.928 1.00 55.55 N ATOM 1011 CD2 HIS A 65 6.515 -9.408 -0.379 1.00 50.11 C ATOM 1012 CE1 HIS A 65 8.334 -10.545 -0.831 1.00 61.12 C ATOM 1013 NE2 HIS A 65 7.468 -10.260 0.124 1.00 55.51 N ATOM 0 H HIS A 65 4.564 -7.258 -4.424 1.00 63.54 H new ATOM 0 HA HIS A 65 4.392 -9.572 -2.625 1.00 54.41 H new ATOM 0 HB2 HIS A 65 6.555 -8.584 -3.693 1.00 11.32 H new ATOM 0 HB3 HIS A 65 6.378 -7.289 -2.526 1.00 11.32 H new ATOM 0 HD2 HIS A 65 5.675 -8.997 0.161 1.00 50.11 H new ATOM 0 HE1 HIS A 65 9.194 -11.191 -0.732 1.00 61.12 H new ATOM 0 HE2 HIS A 65 7.501 -10.615 1.080 1.00 55.51 H new ATOM 1021 N PHE A 66 3.213 -8.440 -0.778 1.00 33.32 N ATOM 1022 CA PHE A 66 2.541 -7.818 0.357 1.00 4.33 C ATOM 1023 C PHE A 66 3.143 -8.297 1.675 1.00 65.11 C ATOM 1024 O PHE A 66 3.775 -9.351 1.733 1.00 62.52 O ATOM 1025 CB PHE A 66 1.044 -8.129 0.325 1.00 73.03 C ATOM 1026 CG PHE A 66 0.223 -7.059 -0.337 1.00 3.00 C ATOM 1027 CD1 PHE A 66 0.178 -6.956 -1.718 1.00 24.40 C ATOM 1028 CD2 PHE A 66 -0.503 -6.155 0.422 1.00 24.21 C ATOM 1029 CE1 PHE A 66 -0.576 -5.973 -2.330 1.00 61.11 C ATOM 1030 CE2 PHE A 66 -1.259 -5.170 -0.184 1.00 61.24 C ATOM 1031 CZ PHE A 66 -1.295 -5.078 -1.562 1.00 64.21 C ATOM 0 H PHE A 66 3.034 -9.439 -0.878 1.00 33.32 H new ATOM 0 HA PHE A 66 2.682 -6.740 0.283 1.00 4.33 H new ATOM 0 HB2 PHE A 66 0.888 -9.072 -0.199 1.00 73.03 H new ATOM 0 HB3 PHE A 66 0.688 -8.269 1.346 1.00 73.03 H new ATOM 0 HD1 PHE A 66 0.739 -7.652 -2.323 1.00 24.40 H new ATOM 0 HD2 PHE A 66 -0.478 -6.221 1.500 1.00 24.21 H new ATOM 0 HE1 PHE A 66 -0.603 -5.905 -3.407 1.00 61.11 H new ATOM 0 HE2 PHE A 66 -1.821 -4.473 0.419 1.00 61.24 H new ATOM 0 HZ PHE A 66 -1.884 -4.308 -2.038 1.00 64.21 H new ATOM 1041 N GLU A 67 2.943 -7.514 2.730 1.00 13.12 N ATOM 1042 CA GLU A 67 3.467 -7.858 4.047 1.00 51.23 C ATOM 1043 C GLU A 67 2.594 -7.269 5.151 1.00 51.41 C ATOM 1044 O GLU A 67 2.542 -6.052 5.335 1.00 72.31 O ATOM 1045 CB GLU A 67 4.904 -7.355 4.195 1.00 44.10 C ATOM 1046 CG GLU A 67 5.744 -8.185 5.151 1.00 22.20 C ATOM 1047 CD GLU A 67 6.751 -7.351 5.918 1.00 2.34 C ATOM 1048 OE1 GLU A 67 6.326 -6.441 6.660 1.00 0.24 O ATOM 1049 OE2 GLU A 67 7.965 -7.608 5.777 1.00 60.33 O ATOM 0 H GLU A 67 2.422 -6.638 2.699 1.00 13.12 H new ATOM 0 HA GLU A 67 3.458 -8.944 4.141 1.00 51.23 H new ATOM 0 HB2 GLU A 67 5.381 -7.351 3.215 1.00 44.10 H new ATOM 0 HB3 GLU A 67 4.884 -6.323 4.544 1.00 44.10 H new ATOM 0 HG2 GLU A 67 5.088 -8.695 5.856 1.00 22.20 H new ATOM 0 HG3 GLU A 67 6.270 -8.957 4.590 1.00 22.20 H new ATOM 1056 N LYS A 68 1.908 -8.140 5.883 1.00 5.13 N ATOM 1057 CA LYS A 68 1.038 -7.709 6.970 1.00 15.32 C ATOM 1058 C LYS A 68 1.682 -7.982 8.325 1.00 22.53 C ATOM 1059 O LYS A 68 1.004 -8.005 9.353 1.00 41.34 O ATOM 1060 CB LYS A 68 -0.313 -8.422 6.883 1.00 73.44 C ATOM 1061 CG LYS A 68 -1.384 -7.809 7.768 1.00 0.12 C ATOM 1062 CD LYS A 68 -2.187 -8.876 8.493 1.00 55.15 C ATOM 1063 CE LYS A 68 -3.477 -8.309 9.066 1.00 20.14 C ATOM 1064 NZ LYS A 68 -3.883 -9.009 10.316 1.00 22.43 N ATOM 0 H LYS A 68 1.938 -9.150 5.743 1.00 5.13 H new ATOM 0 HA LYS A 68 0.882 -6.635 6.872 1.00 15.32 H new ATOM 0 HB2 LYS A 68 -0.656 -8.407 5.849 1.00 73.44 H new ATOM 0 HB3 LYS A 68 -0.180 -9.468 7.159 1.00 73.44 H new ATOM 0 HG2 LYS A 68 -0.919 -7.145 8.496 1.00 0.12 H new ATOM 0 HG3 LYS A 68 -2.053 -7.198 7.161 1.00 0.12 H new ATOM 0 HD2 LYS A 68 -2.420 -9.689 7.805 1.00 55.15 H new ATOM 0 HD3 LYS A 68 -1.586 -9.301 9.297 1.00 55.15 H new ATOM 0 HE2 LYS A 68 -3.347 -7.246 9.271 1.00 20.14 H new ATOM 0 HE3 LYS A 68 -4.272 -8.396 8.326 1.00 20.14 H new ATOM 0 HZ1 LYS A 68 -4.766 -8.594 10.675 1.00 22.43 H new ATOM 0 HZ2 LYS A 68 -4.032 -10.019 10.116 1.00 22.43 H new ATOM 0 HZ3 LYS A 68 -3.135 -8.904 11.031 1.00 22.43 H new ATOM 1078 N ARG A 69 2.995 -8.189 8.320 1.00 0.00 N ATOM 1079 CA ARG A 69 3.731 -8.461 9.549 1.00 14.21 C ATOM 1080 C ARG A 69 4.066 -7.164 10.280 1.00 34.03 C ATOM 1081 O ARG A 69 4.790 -7.170 11.275 1.00 23.44 O ATOM 1082 CB ARG A 69 5.016 -9.231 9.240 1.00 53.12 C ATOM 1083 CG ARG A 69 4.884 -10.734 9.423 1.00 71.13 C ATOM 1084 CD ARG A 69 6.245 -11.410 9.482 1.00 40.50 C ATOM 1085 NE ARG A 69 6.839 -11.328 10.814 1.00 71.23 N ATOM 1086 CZ ARG A 69 6.514 -12.140 11.814 1.00 64.02 C ATOM 1087 NH1 ARG A 69 5.607 -13.089 11.634 1.00 75.33 N ATOM 1088 NH2 ARG A 69 7.099 -12.003 12.997 1.00 21.42 N ATOM 0 H ARG A 69 3.571 -8.174 7.478 1.00 0.00 H new ATOM 0 HA ARG A 69 3.098 -9.069 10.195 1.00 14.21 H new ATOM 0 HB2 ARG A 69 5.316 -9.023 8.213 1.00 53.12 H new ATOM 0 HB3 ARG A 69 5.814 -8.864 9.885 1.00 53.12 H new ATOM 0 HG2 ARG A 69 4.333 -10.943 10.340 1.00 71.13 H new ATOM 0 HG3 ARG A 69 4.304 -11.152 8.600 1.00 71.13 H new ATOM 0 HD2 ARG A 69 6.143 -12.456 9.194 1.00 40.50 H new ATOM 0 HD3 ARG A 69 6.913 -10.944 8.758 1.00 40.50 H new ATOM 0 HE ARG A 69 7.541 -10.608 10.986 1.00 71.23 H new ATOM 0 HH11 ARG A 69 5.156 -13.198 10.726 1.00 75.33 H new ATOM 0 HH12 ARG A 69 5.360 -13.711 12.404 1.00 75.33 H new ATOM 0 HH21 ARG A 69 7.798 -11.274 13.139 1.00 21.42 H new ATOM 0 HH22 ARG A 69 6.849 -12.627 13.765 1.00 21.42 H new ATOM 1102 N ARG A 70 3.533 -6.054 9.779 1.00 4.15 N ATOM 1103 CA ARG A 70 3.777 -4.750 10.384 1.00 43.33 C ATOM 1104 C ARG A 70 5.231 -4.326 10.194 1.00 51.01 C ATOM 1105 O ARG A 70 5.997 -4.253 11.154 1.00 42.14 O ATOM 1106 CB ARG A 70 3.435 -4.782 11.874 1.00 31.43 C ATOM 1107 CG ARG A 70 2.955 -3.447 12.418 1.00 3.34 C ATOM 1108 CD ARG A 70 1.972 -3.632 13.564 1.00 62.43 C ATOM 1109 NE ARG A 70 2.645 -3.990 14.810 1.00 73.43 N ATOM 1110 CZ ARG A 70 2.002 -4.259 15.941 1.00 70.23 C ATOM 1111 NH1 ARG A 70 0.678 -4.211 15.982 1.00 74.20 N ATOM 1112 NH2 ARG A 70 2.684 -4.577 17.033 1.00 22.44 N ATOM 0 H ARG A 70 2.930 -6.032 8.957 1.00 4.15 H new ATOM 0 HA ARG A 70 3.136 -4.022 9.887 1.00 43.33 H new ATOM 0 HB2 ARG A 70 2.663 -5.533 12.045 1.00 31.43 H new ATOM 0 HB3 ARG A 70 4.316 -5.097 12.433 1.00 31.43 H new ATOM 0 HG2 ARG A 70 3.810 -2.864 12.761 1.00 3.34 H new ATOM 0 HG3 ARG A 70 2.481 -2.877 11.619 1.00 3.34 H new ATOM 0 HD2 ARG A 70 1.407 -2.711 13.709 1.00 62.43 H new ATOM 0 HD3 ARG A 70 1.254 -4.409 13.304 1.00 62.43 H new ATOM 0 HE ARG A 70 3.664 -4.036 14.812 1.00 73.43 H new ATOM 0 HH11 ARG A 70 0.150 -3.967 15.144 1.00 74.20 H new ATOM 0 HH12 ARG A 70 0.187 -4.418 16.852 1.00 74.20 H new ATOM 0 HH21 ARG A 70 3.703 -4.615 17.005 1.00 22.44 H new ATOM 0 HH22 ARG A 70 2.190 -4.783 17.901 1.00 22.44 H new ATOM 1126 N GLY A 71 5.603 -4.048 8.948 1.00 23.11 N ATOM 1127 CA GLY A 71 6.964 -3.636 8.655 1.00 54.01 C ATOM 1128 C GLY A 71 7.437 -2.515 9.558 1.00 2.24 C ATOM 1129 O GLY A 71 8.615 -2.447 9.912 1.00 11.13 O ATOM 0 H GLY A 71 4.987 -4.101 8.137 1.00 23.11 H new ATOM 0 HA2 GLY A 71 7.631 -4.492 8.763 1.00 54.01 H new ATOM 0 HA3 GLY A 71 7.027 -3.313 7.616 1.00 54.01 H new ATOM 1133 N THR A 72 6.518 -1.630 9.933 1.00 62.03 N ATOM 1134 CA THR A 72 6.848 -0.505 10.798 1.00 43.41 C ATOM 1135 C THR A 72 5.589 0.150 11.353 1.00 54.20 C ATOM 1136 O THR A 72 5.562 1.356 11.598 1.00 22.23 O ATOM 1137 CB THR A 72 7.677 0.556 10.049 1.00 71.14 C ATOM 1138 OG1 THR A 72 8.094 0.044 8.778 1.00 74.01 O ATOM 1139 CG2 THR A 72 8.896 0.963 10.862 1.00 45.35 C ATOM 0 H THR A 72 5.539 -1.671 9.651 1.00 62.03 H new ATOM 0 HA THR A 72 7.440 -0.904 11.622 1.00 43.41 H new ATOM 0 HB THR A 72 7.051 1.435 9.898 1.00 71.14 H new ATOM 0 HG1 THR A 72 8.619 0.725 8.307 1.00 74.01 H new ATOM 0 HG21 THR A 72 9.466 1.713 10.313 1.00 45.35 H new ATOM 0 HG22 THR A 72 8.574 1.379 11.817 1.00 45.35 H new ATOM 0 HG23 THR A 72 9.523 0.089 11.040 1.00 45.35 H new ATOM 1147 N GLN A 73 4.547 -0.652 11.549 1.00 24.21 N ATOM 1148 CA GLN A 73 3.284 -0.149 12.076 1.00 42.13 C ATOM 1149 C GLN A 73 2.822 1.080 11.299 1.00 34.52 C ATOM 1150 O GLN A 73 3.341 1.379 10.225 1.00 1.41 O ATOM 1151 CB GLN A 73 3.427 0.195 13.559 1.00 33.44 C ATOM 1152 CG GLN A 73 4.162 -0.866 14.362 1.00 64.53 C ATOM 1153 CD GLN A 73 4.453 -0.427 15.783 1.00 15.32 C ATOM 1154 OE1 GLN A 73 5.581 -0.061 16.114 1.00 13.20 O ATOM 1155 NE2 GLN A 73 3.433 -0.460 16.633 1.00 11.12 N ATOM 0 H GLN A 73 4.553 -1.653 11.351 1.00 24.21 H new ATOM 0 HA GLN A 73 2.534 -0.932 11.963 1.00 42.13 H new ATOM 0 HB2 GLN A 73 3.957 1.143 13.654 1.00 33.44 H new ATOM 0 HB3 GLN A 73 2.435 0.340 13.987 1.00 33.44 H new ATOM 0 HG2 GLN A 73 3.566 -1.778 14.383 1.00 64.53 H new ATOM 0 HG3 GLN A 73 5.100 -1.110 13.862 1.00 64.53 H new ATOM 0 HE21 GLN A 73 2.515 -0.770 16.316 1.00 11.12 H new ATOM 0 HE22 GLN A 73 3.568 -0.175 17.603 1.00 11.12 H new ATOM 1164 N GLY A 74 1.840 1.787 11.851 1.00 44.43 N ATOM 1165 CA GLY A 74 1.324 2.975 11.196 1.00 51.01 C ATOM 1166 C GLY A 74 2.377 4.054 11.038 1.00 54.22 C ATOM 1167 O GLY A 74 2.194 5.000 10.272 1.00 22.01 O ATOM 0 H GLY A 74 1.393 1.558 12.739 1.00 44.43 H new ATOM 0 HA2 GLY A 74 0.935 2.705 10.214 1.00 51.01 H new ATOM 0 HA3 GLY A 74 0.488 3.370 11.773 1.00 51.01 H new ATOM 1171 N GLU A 75 3.480 3.913 11.765 1.00 3.33 N ATOM 1172 CA GLU A 75 4.565 4.886 11.703 1.00 14.23 C ATOM 1173 C GLU A 75 5.085 5.031 10.276 1.00 22.51 C ATOM 1174 O GLU A 75 5.629 6.070 9.905 1.00 52.14 O ATOM 1175 CB GLU A 75 5.706 4.471 12.635 1.00 53.54 C ATOM 1176 CG GLU A 75 6.473 5.646 13.218 1.00 14.22 C ATOM 1177 CD GLU A 75 7.383 5.239 14.360 1.00 23.21 C ATOM 1178 OE1 GLU A 75 6.861 4.912 15.447 1.00 64.13 O ATOM 1179 OE2 GLU A 75 8.617 5.247 14.168 1.00 40.13 O ATOM 0 H GLU A 75 3.646 3.135 12.404 1.00 3.33 H new ATOM 0 HA GLU A 75 4.173 5.850 12.028 1.00 14.23 H new ATOM 0 HB2 GLU A 75 5.299 3.873 13.450 1.00 53.54 H new ATOM 0 HB3 GLU A 75 6.398 3.832 12.086 1.00 53.54 H new ATOM 0 HG2 GLU A 75 7.068 6.112 12.433 1.00 14.22 H new ATOM 0 HG3 GLU A 75 5.766 6.397 13.571 1.00 14.22 H new ATOM 1186 N ALA A 76 4.915 3.979 9.481 1.00 11.03 N ATOM 1187 CA ALA A 76 5.366 3.988 8.095 1.00 13.22 C ATOM 1188 C ALA A 76 4.642 5.062 7.290 1.00 45.32 C ATOM 1189 O ALA A 76 5.075 5.429 6.197 1.00 21.21 O ATOM 1190 CB ALA A 76 5.156 2.620 7.463 1.00 55.42 C ATOM 0 H ALA A 76 4.468 3.110 9.774 1.00 11.03 H new ATOM 0 HA ALA A 76 6.431 4.220 8.086 1.00 13.22 H new ATOM 0 HB1 ALA A 76 5.497 2.641 6.428 1.00 55.42 H new ATOM 0 HB2 ALA A 76 5.724 1.872 8.017 1.00 55.42 H new ATOM 0 HB3 ALA A 76 4.097 2.365 7.491 1.00 55.42 H new ATOM 1196 N ARG A 77 3.539 5.562 7.836 1.00 10.52 N ATOM 1197 CA ARG A 77 2.755 6.593 7.167 1.00 52.30 C ATOM 1198 C ARG A 77 3.576 7.866 6.981 1.00 52.00 C ATOM 1199 O ARG A 77 3.311 8.661 6.080 1.00 61.03 O ATOM 1200 CB ARG A 77 1.489 6.903 7.969 1.00 24.40 C ATOM 1201 CG ARG A 77 0.727 8.115 7.460 1.00 11.02 C ATOM 1202 CD ARG A 77 -0.658 8.203 8.081 1.00 13.05 C ATOM 1203 NE ARG A 77 -0.615 8.727 9.444 1.00 23.52 N ATOM 1204 CZ ARG A 77 -0.523 10.020 9.732 1.00 42.11 C ATOM 1205 NH1 ARG A 77 -0.466 10.917 8.757 1.00 4.02 N ATOM 1206 NH2 ARG A 77 -0.489 10.419 10.997 1.00 24.20 N ATOM 0 H ARG A 77 3.168 5.270 8.740 1.00 10.52 H new ATOM 0 HA ARG A 77 2.471 6.217 6.184 1.00 52.30 H new ATOM 0 HB2 ARG A 77 0.831 6.034 7.944 1.00 24.40 H new ATOM 0 HB3 ARG A 77 1.761 7.067 9.012 1.00 24.40 H new ATOM 0 HG2 ARG A 77 1.288 9.021 7.689 1.00 11.02 H new ATOM 0 HG3 ARG A 77 0.638 8.061 6.375 1.00 11.02 H new ATOM 0 HD2 ARG A 77 -1.291 8.843 7.466 1.00 13.05 H new ATOM 0 HD3 ARG A 77 -1.116 7.214 8.087 1.00 13.05 H new ATOM 0 HE ARG A 77 -0.658 8.063 10.217 1.00 23.52 H new ATOM 0 HH11 ARG A 77 -0.493 10.614 7.783 1.00 4.02 H new ATOM 0 HH12 ARG A 77 -0.395 11.910 8.981 1.00 4.02 H new ATOM 0 HH21 ARG A 77 -0.534 9.732 11.750 1.00 24.20 H new ATOM 0 HH22 ARG A 77 -0.418 11.413 11.217 1.00 24.20 H new ATOM 1220 N ALA A 78 4.572 8.052 7.840 1.00 25.12 N ATOM 1221 CA ALA A 78 5.433 9.226 7.770 1.00 52.43 C ATOM 1222 C ALA A 78 6.580 9.008 6.789 1.00 3.44 C ATOM 1223 O ALA A 78 6.623 9.622 5.723 1.00 64.23 O ATOM 1224 CB ALA A 78 5.973 9.568 9.150 1.00 2.43 C ATOM 0 H ALA A 78 4.803 7.404 8.593 1.00 25.12 H new ATOM 0 HA ALA A 78 4.835 10.063 7.409 1.00 52.43 H new ATOM 0 HB1 ALA A 78 6.614 10.447 9.082 1.00 2.43 H new ATOM 0 HB2 ALA A 78 5.142 9.776 9.824 1.00 2.43 H new ATOM 0 HB3 ALA A 78 6.550 8.727 9.534 1.00 2.43 H new ATOM 1230 N TYR A 79 7.508 8.132 7.158 1.00 43.32 N ATOM 1231 CA TYR A 79 8.658 7.836 6.312 1.00 44.00 C ATOM 1232 C TYR A 79 8.213 7.411 4.916 1.00 40.40 C ATOM 1233 O TYR A 79 8.911 7.648 3.930 1.00 4.34 O ATOM 1234 CB TYR A 79 9.513 6.736 6.944 1.00 74.43 C ATOM 1235 CG TYR A 79 10.040 5.730 5.945 1.00 3.31 C ATOM 1236 CD1 TYR A 79 11.060 6.068 5.063 1.00 33.51 C ATOM 1237 CD2 TYR A 79 9.519 4.444 5.883 1.00 61.12 C ATOM 1238 CE1 TYR A 79 11.545 5.153 4.149 1.00 74.35 C ATOM 1239 CE2 TYR A 79 9.999 3.522 4.973 1.00 51.24 C ATOM 1240 CZ TYR A 79 11.011 3.881 4.107 1.00 4.35 C ATOM 1241 OH TYR A 79 11.491 2.966 3.198 1.00 0.43 O ATOM 0 H TYR A 79 7.486 7.615 8.037 1.00 43.32 H new ATOM 0 HA TYR A 79 9.254 8.744 6.223 1.00 44.00 H new ATOM 0 HB2 TYR A 79 10.354 7.195 7.464 1.00 74.43 H new ATOM 0 HB3 TYR A 79 8.921 6.214 7.695 1.00 74.43 H new ATOM 0 HD1 TYR A 79 11.480 7.062 5.093 1.00 33.51 H new ATOM 0 HD2 TYR A 79 8.725 4.160 6.558 1.00 61.12 H new ATOM 0 HE1 TYR A 79 12.338 5.431 3.471 1.00 74.35 H new ATOM 0 HE2 TYR A 79 9.584 2.525 4.940 1.00 51.24 H new ATOM 0 HH TYR A 79 11.009 2.119 3.301 1.00 0.43 H new ATOM 1251 N SER A 80 7.044 6.783 4.841 1.00 64.44 N ATOM 1252 CA SER A 80 6.505 6.321 3.567 1.00 43.34 C ATOM 1253 C SER A 80 7.457 5.333 2.900 1.00 21.30 C ATOM 1254 O SER A 80 7.402 4.131 3.158 1.00 34.23 O ATOM 1255 CB SER A 80 6.252 7.509 2.636 1.00 33.11 C ATOM 1256 OG SER A 80 5.132 8.264 3.066 1.00 4.04 O ATOM 0 H SER A 80 6.452 6.582 5.647 1.00 64.44 H new ATOM 0 HA SER A 80 5.561 5.813 3.763 1.00 43.34 H new ATOM 0 HB2 SER A 80 7.135 8.147 2.607 1.00 33.11 H new ATOM 0 HB3 SER A 80 6.085 7.150 1.620 1.00 33.11 H new ATOM 0 HG SER A 80 4.992 9.018 2.456 1.00 4.04 H new ATOM 1262 N MET A 81 8.330 5.849 2.041 1.00 71.21 N ATOM 1263 CA MET A 81 9.295 5.012 1.337 1.00 3.25 C ATOM 1264 C MET A 81 10.654 5.701 1.256 1.00 52.05 C ATOM 1265 O MET A 81 10.858 6.765 1.840 1.00 2.20 O ATOM 1266 CB MET A 81 8.790 4.686 -0.069 1.00 62.03 C ATOM 1267 CG MET A 81 7.483 3.910 -0.081 1.00 0.20 C ATOM 1268 SD MET A 81 6.250 4.643 -1.174 1.00 63.42 S ATOM 1269 CE MET A 81 5.043 5.220 0.016 1.00 51.31 C ATOM 0 H MET A 81 8.389 6.842 1.816 1.00 71.21 H new ATOM 0 HA MET A 81 9.411 4.084 1.897 1.00 3.25 H new ATOM 0 HB2 MET A 81 8.656 5.615 -0.623 1.00 62.03 H new ATOM 0 HB3 MET A 81 9.551 4.109 -0.595 1.00 62.03 H new ATOM 0 HG2 MET A 81 7.677 2.884 -0.395 1.00 0.20 H new ATOM 0 HG3 MET A 81 7.083 3.864 0.932 1.00 0.20 H new ATOM 0 HE1 MET A 81 4.042 4.954 -0.323 1.00 51.31 H new ATOM 0 HE2 MET A 81 5.234 4.754 0.983 1.00 51.31 H new ATOM 0 HE3 MET A 81 5.117 6.303 0.114 1.00 51.31 H new ATOM 1279 N LYS A 82 11.580 5.087 0.527 1.00 3.50 N ATOM 1280 CA LYS A 82 12.920 5.641 0.367 1.00 15.44 C ATOM 1281 C LYS A 82 12.867 7.001 -0.323 1.00 24.41 C ATOM 1282 O LYS A 82 12.489 7.100 -1.490 1.00 24.43 O ATOM 1283 CB LYS A 82 13.798 4.682 -0.438 1.00 70.34 C ATOM 1284 CG LYS A 82 14.357 3.533 0.384 1.00 52.14 C ATOM 1285 CD LYS A 82 15.752 3.844 0.900 1.00 74.10 C ATOM 1286 CE LYS A 82 15.850 3.629 2.403 1.00 43.25 C ATOM 1287 NZ LYS A 82 16.236 2.231 2.739 1.00 64.12 N ATOM 0 H LYS A 82 11.427 4.205 0.037 1.00 3.50 H new ATOM 0 HA LYS A 82 13.353 5.773 1.359 1.00 15.44 H new ATOM 0 HB2 LYS A 82 13.215 4.276 -1.265 1.00 70.34 H new ATOM 0 HB3 LYS A 82 14.625 5.241 -0.876 1.00 70.34 H new ATOM 0 HG2 LYS A 82 13.694 3.330 1.225 1.00 52.14 H new ATOM 0 HG3 LYS A 82 14.386 2.629 -0.225 1.00 52.14 H new ATOM 0 HD2 LYS A 82 16.479 3.210 0.392 1.00 74.10 H new ATOM 0 HD3 LYS A 82 16.008 4.876 0.661 1.00 74.10 H new ATOM 0 HE2 LYS A 82 16.583 4.319 2.822 1.00 43.25 H new ATOM 0 HE3 LYS A 82 14.892 3.863 2.867 1.00 43.25 H new ATOM 0 HZ1 LYS A 82 16.292 2.125 3.772 1.00 64.12 H new ATOM 0 HZ2 LYS A 82 15.524 1.574 2.362 1.00 64.12 H new ATOM 0 HZ3 LYS A 82 17.162 2.016 2.318 1.00 64.12 H new ATOM 1301 N GLU A 83 13.251 8.044 0.406 1.00 52.54 N ATOM 1302 CA GLU A 83 13.248 9.397 -0.139 1.00 12.35 C ATOM 1303 C GLU A 83 14.240 9.522 -1.291 1.00 5.52 C ATOM 1304 O GLU A 83 14.002 10.252 -2.253 1.00 52.03 O ATOM 1305 CB GLU A 83 13.589 10.412 0.955 1.00 32.42 C ATOM 1306 CG GLU A 83 12.901 11.755 0.775 1.00 25.34 C ATOM 1307 CD GLU A 83 13.878 12.873 0.468 1.00 0.31 C ATOM 1308 OE1 GLU A 83 14.778 12.662 -0.371 1.00 22.10 O ATOM 1309 OE2 GLU A 83 13.741 13.961 1.067 1.00 23.42 O ATOM 0 H GLU A 83 13.568 7.979 1.373 1.00 52.54 H new ATOM 0 HA GLU A 83 12.248 9.606 -0.520 1.00 12.35 H new ATOM 0 HB2 GLU A 83 13.310 9.997 1.924 1.00 32.42 H new ATOM 0 HB3 GLU A 83 14.668 10.565 0.973 1.00 32.42 H new ATOM 0 HG2 GLU A 83 12.173 11.681 -0.033 1.00 25.34 H new ATOM 0 HG3 GLU A 83 12.347 12.000 1.681 1.00 25.34 H new ATOM 1316 N ASP A 84 15.354 8.806 -1.185 1.00 2.35 N ATOM 1317 CA ASP A 84 16.384 8.836 -2.217 1.00 33.10 C ATOM 1318 C ASP A 84 15.858 8.254 -3.526 1.00 10.15 C ATOM 1319 O ASP A 84 16.201 8.726 -4.610 1.00 55.41 O ATOM 1320 CB ASP A 84 17.618 8.058 -1.758 1.00 45.54 C ATOM 1321 CG ASP A 84 18.368 8.766 -0.646 1.00 70.34 C ATOM 1322 OD1 ASP A 84 18.674 9.966 -0.807 1.00 11.14 O ATOM 1323 OD2 ASP A 84 18.648 8.119 0.384 1.00 11.14 O ATOM 0 H ASP A 84 15.567 8.197 -0.395 1.00 2.35 H new ATOM 0 HA ASP A 84 16.663 9.876 -2.388 1.00 33.10 H new ATOM 0 HB2 ASP A 84 17.314 7.069 -1.415 1.00 45.54 H new ATOM 0 HB3 ASP A 84 18.287 7.909 -2.606 1.00 45.54 H new ATOM 1328 N THR A 85 15.024 7.224 -3.417 1.00 0.42 N ATOM 1329 CA THR A 85 14.453 6.576 -4.591 1.00 13.55 C ATOM 1330 C THR A 85 13.043 7.085 -4.867 1.00 75.15 C ATOM 1331 O THR A 85 12.340 6.556 -5.729 1.00 33.23 O ATOM 1332 CB THR A 85 14.410 5.046 -4.423 1.00 25.14 C ATOM 1333 OG1 THR A 85 14.906 4.681 -3.130 1.00 11.15 O ATOM 1334 CG2 THR A 85 15.237 4.360 -5.500 1.00 2.31 C ATOM 0 H THR A 85 14.729 6.821 -2.528 1.00 0.42 H new ATOM 0 HA THR A 85 15.098 6.823 -5.434 1.00 13.55 H new ATOM 0 HB THR A 85 13.374 4.721 -4.520 1.00 25.14 H new ATOM 0 HG1 THR A 85 14.874 3.707 -3.030 1.00 11.15 H new ATOM 0 HG21 THR A 85 15.192 3.280 -5.361 1.00 2.31 H new ATOM 0 HG22 THR A 85 14.840 4.616 -6.482 1.00 2.31 H new ATOM 0 HG23 THR A 85 16.273 4.692 -5.430 1.00 2.31 H new ATOM 1342 N ARG A 86 12.635 8.115 -4.133 1.00 32.42 N ATOM 1343 CA ARG A 86 11.307 8.694 -4.300 1.00 5.15 C ATOM 1344 C ARG A 86 11.195 9.420 -5.637 1.00 63.11 C ATOM 1345 O ARG A 86 11.947 10.356 -5.913 1.00 13.24 O ATOM 1346 CB ARG A 86 11.003 9.662 -3.155 1.00 12.12 C ATOM 1347 CG ARG A 86 9.702 9.358 -2.430 1.00 20.12 C ATOM 1348 CD ARG A 86 9.522 10.250 -1.211 1.00 73.53 C ATOM 1349 NE ARG A 86 9.868 9.559 0.028 1.00 12.12 N ATOM 1350 CZ ARG A 86 9.992 10.171 1.201 1.00 55.24 C ATOM 1351 NH1 ARG A 86 9.798 11.480 1.293 1.00 71.43 N ATOM 1352 NH2 ARG A 86 10.309 9.474 2.284 1.00 1.21 N ATOM 0 H ARG A 86 13.205 8.566 -3.417 1.00 32.42 H new ATOM 0 HA ARG A 86 10.579 7.883 -4.285 1.00 5.15 H new ATOM 0 HB2 ARG A 86 11.824 9.633 -2.438 1.00 12.12 H new ATOM 0 HB3 ARG A 86 10.960 10.677 -3.550 1.00 12.12 H new ATOM 0 HG2 ARG A 86 8.863 9.498 -3.112 1.00 20.12 H new ATOM 0 HG3 ARG A 86 9.692 8.312 -2.122 1.00 20.12 H new ATOM 0 HD2 ARG A 86 10.145 11.138 -1.317 1.00 73.53 H new ATOM 0 HD3 ARG A 86 8.488 10.590 -1.160 1.00 73.53 H new ATOM 0 HE ARG A 86 10.023 8.552 -0.009 1.00 12.12 H new ATOM 0 HH11 ARG A 86 9.553 12.019 0.462 1.00 71.43 H new ATOM 0 HH12 ARG A 86 9.894 11.948 2.194 1.00 71.43 H new ATOM 0 HH21 ARG A 86 10.458 8.467 2.217 1.00 1.21 H new ATOM 0 HH22 ARG A 86 10.404 9.945 3.184 1.00 1.21 H new ATOM 1366 N LEU A 87 10.253 8.982 -6.465 1.00 22.42 N ATOM 1367 CA LEU A 87 10.043 9.589 -7.774 1.00 75.34 C ATOM 1368 C LEU A 87 8.823 10.504 -7.760 1.00 53.43 C ATOM 1369 O LEU A 87 8.933 11.704 -8.012 1.00 72.20 O ATOM 1370 CB LEU A 87 9.868 8.504 -8.839 1.00 40.20 C ATOM 1371 CG LEU A 87 10.814 8.582 -10.038 1.00 1.02 C ATOM 1372 CD1 LEU A 87 10.414 7.570 -11.100 1.00 51.11 C ATOM 1373 CD2 LEU A 87 10.827 9.989 -10.617 1.00 13.22 C ATOM 0 H LEU A 87 9.623 8.209 -6.253 1.00 22.42 H new ATOM 0 HA LEU A 87 10.921 10.188 -8.015 1.00 75.34 H new ATOM 0 HB2 LEU A 87 9.996 7.532 -8.363 1.00 40.20 H new ATOM 0 HB3 LEU A 87 8.843 8.546 -9.207 1.00 40.20 H new ATOM 0 HG LEU A 87 11.821 8.342 -9.698 1.00 1.02 H new ATOM 0 HD11 LEU A 87 11.098 7.640 -11.945 1.00 51.11 H new ATOM 0 HD12 LEU A 87 10.458 6.565 -10.680 1.00 51.11 H new ATOM 0 HD13 LEU A 87 9.399 7.778 -11.437 1.00 51.11 H new ATOM 0 HD21 LEU A 87 11.506 10.025 -11.469 1.00 13.22 H new ATOM 0 HD22 LEU A 87 9.822 10.258 -10.942 1.00 13.22 H new ATOM 0 HD23 LEU A 87 11.163 10.693 -9.855 1.00 13.22 H new ATOM 1385 N GLU A 88 7.661 9.930 -7.462 1.00 44.11 N ATOM 1386 CA GLU A 88 6.421 10.696 -7.414 1.00 25.04 C ATOM 1387 C GLU A 88 5.705 10.488 -6.082 1.00 45.31 C ATOM 1388 O GLU A 88 6.132 9.684 -5.255 1.00 35.24 O ATOM 1389 CB GLU A 88 5.502 10.293 -8.568 1.00 53.21 C ATOM 1390 CG GLU A 88 4.839 11.473 -9.258 1.00 51.35 C ATOM 1391 CD GLU A 88 5.843 12.479 -9.788 1.00 20.25 C ATOM 1392 OE1 GLU A 88 6.427 12.226 -10.862 1.00 22.13 O ATOM 1393 OE2 GLU A 88 6.044 13.519 -9.127 1.00 1.44 O ATOM 0 H GLU A 88 7.553 8.938 -7.250 1.00 44.11 H new ATOM 0 HA GLU A 88 6.672 11.752 -7.511 1.00 25.04 H new ATOM 0 HB2 GLU A 88 6.079 9.731 -9.302 1.00 53.21 H new ATOM 0 HB3 GLU A 88 4.730 9.623 -8.190 1.00 53.21 H new ATOM 0 HG2 GLU A 88 4.225 11.109 -10.082 1.00 51.35 H new ATOM 0 HG3 GLU A 88 4.169 11.970 -8.556 1.00 51.35 H new ATOM 1400 N GLY A 89 4.614 11.221 -5.883 1.00 1.31 N ATOM 1401 CA GLY A 89 3.856 11.104 -4.651 1.00 4.03 C ATOM 1402 C GLY A 89 4.343 12.058 -3.578 1.00 21.32 C ATOM 1403 O GLY A 89 5.153 12.950 -3.831 1.00 71.10 O ATOM 0 H GLY A 89 4.241 11.894 -6.553 1.00 1.31 H new ATOM 0 HA2 GLY A 89 2.803 11.299 -4.856 1.00 4.03 H new ATOM 0 HA3 GLY A 89 3.925 10.081 -4.282 1.00 4.03 H new ATOM 1407 N PRO A 90 3.843 11.875 -2.347 1.00 14.01 N ATOM 1408 CA PRO A 90 2.877 10.817 -2.034 1.00 5.02 C ATOM 1409 C PRO A 90 1.510 11.076 -2.658 1.00 4.35 C ATOM 1410 O PRO A 90 1.280 12.128 -3.254 1.00 55.01 O ATOM 1411 CB PRO A 90 2.785 10.861 -0.506 1.00 45.55 C ATOM 1412 CG PRO A 90 3.164 12.256 -0.145 1.00 2.14 C ATOM 1413 CD PRO A 90 4.180 12.688 -1.166 1.00 72.30 C ATOM 0 HA PRO A 90 3.190 9.850 -2.428 1.00 5.02 H new ATOM 0 HB2 PRO A 90 1.778 10.623 -0.163 1.00 45.55 H new ATOM 0 HB3 PRO A 90 3.458 10.136 -0.048 1.00 45.55 H new ATOM 0 HG2 PRO A 90 2.294 12.912 -0.159 1.00 2.14 H new ATOM 0 HG3 PRO A 90 3.580 12.299 0.862 1.00 2.14 H new ATOM 0 HD2 PRO A 90 4.108 13.755 -1.378 1.00 72.30 H new ATOM 0 HD3 PRO A 90 5.198 12.499 -0.825 1.00 72.30 H new ATOM 1421 N TRP A 91 0.608 10.112 -2.515 1.00 43.14 N ATOM 1422 CA TRP A 91 -0.737 10.237 -3.065 1.00 42.23 C ATOM 1423 C TRP A 91 -1.768 9.622 -2.126 1.00 72.42 C ATOM 1424 O TRP A 91 -1.570 8.523 -1.608 1.00 13.42 O ATOM 1425 CB TRP A 91 -0.813 9.566 -4.438 1.00 35.15 C ATOM 1426 CG TRP A 91 -0.201 10.384 -5.534 1.00 31.10 C ATOM 1427 CD1 TRP A 91 -0.326 11.731 -5.719 1.00 4.34 C ATOM 1428 CD2 TRP A 91 0.630 9.906 -6.598 1.00 13.33 C ATOM 1429 NE1 TRP A 91 0.378 12.120 -6.833 1.00 52.11 N ATOM 1430 CE2 TRP A 91 0.974 11.019 -7.390 1.00 15.33 C ATOM 1431 CE3 TRP A 91 1.118 8.647 -6.957 1.00 44.41 C ATOM 1432 CZ2 TRP A 91 1.782 10.909 -8.518 1.00 74.50 C ATOM 1433 CZ3 TRP A 91 1.920 8.539 -8.077 1.00 41.14 C ATOM 1434 CH2 TRP A 91 2.246 9.664 -8.847 1.00 30.03 C ATOM 0 H TRP A 91 0.783 9.236 -2.023 1.00 43.14 H new ATOM 0 HA TRP A 91 -0.961 11.298 -3.175 1.00 42.23 H new ATOM 0 HB2 TRP A 91 -0.310 8.600 -4.391 1.00 35.15 H new ATOM 0 HB3 TRP A 91 -1.857 9.369 -4.681 1.00 35.15 H new ATOM 0 HD1 TRP A 91 -0.895 12.393 -5.083 1.00 4.34 H new ATOM 0 HE1 TRP A 91 0.446 13.074 -7.188 1.00 52.11 H new ATOM 0 HE3 TRP A 91 0.873 7.774 -6.370 1.00 44.41 H new ATOM 0 HZ2 TRP A 91 2.034 11.775 -9.112 1.00 74.50 H new ATOM 0 HZ3 TRP A 91 2.302 7.571 -8.364 1.00 41.14 H new ATOM 0 HH2 TRP A 91 2.875 9.546 -9.717 1.00 30.03 H new ATOM 1445 N GLU A 92 -2.869 10.336 -1.912 1.00 44.13 N ATOM 1446 CA GLU A 92 -3.930 9.858 -1.034 1.00 53.23 C ATOM 1447 C GLU A 92 -5.237 9.687 -1.804 1.00 1.22 C ATOM 1448 O GLU A 92 -5.602 10.531 -2.623 1.00 75.40 O ATOM 1449 CB GLU A 92 -4.135 10.829 0.131 1.00 61.05 C ATOM 1450 CG GLU A 92 -3.212 10.568 1.309 1.00 14.24 C ATOM 1451 CD GLU A 92 -3.247 11.684 2.335 1.00 13.25 C ATOM 1452 OE1 GLU A 92 -3.386 12.858 1.932 1.00 31.31 O ATOM 1453 OE2 GLU A 92 -3.136 11.383 3.542 1.00 1.15 O ATOM 0 H GLU A 92 -3.049 11.247 -2.334 1.00 44.13 H new ATOM 0 HA GLU A 92 -3.630 8.887 -0.640 1.00 53.23 H new ATOM 0 HB2 GLU A 92 -3.978 11.848 -0.224 1.00 61.05 H new ATOM 0 HB3 GLU A 92 -5.169 10.765 0.469 1.00 61.05 H new ATOM 0 HG2 GLU A 92 -3.496 9.631 1.787 1.00 14.24 H new ATOM 0 HG3 GLU A 92 -2.192 10.445 0.946 1.00 14.24 H new ATOM 1460 N TYR A 93 -5.936 8.590 -1.535 1.00 3.13 N ATOM 1461 CA TYR A 93 -7.200 8.306 -2.203 1.00 40.02 C ATOM 1462 C TYR A 93 -8.201 7.684 -1.234 1.00 41.02 C ATOM 1463 O TYR A 93 -7.827 7.184 -0.174 1.00 74.52 O ATOM 1464 CB TYR A 93 -6.974 7.369 -3.391 1.00 44.31 C ATOM 1465 CG TYR A 93 -6.212 8.009 -4.530 1.00 72.10 C ATOM 1466 CD1 TYR A 93 -6.865 8.792 -5.474 1.00 44.51 C ATOM 1467 CD2 TYR A 93 -4.841 7.829 -4.663 1.00 0.11 C ATOM 1468 CE1 TYR A 93 -6.173 9.378 -6.517 1.00 13.41 C ATOM 1469 CE2 TYR A 93 -4.141 8.412 -5.701 1.00 54.35 C ATOM 1470 CZ TYR A 93 -4.812 9.186 -6.626 1.00 21.20 C ATOM 1471 OH TYR A 93 -4.119 9.767 -7.663 1.00 2.22 O ATOM 0 H TYR A 93 -5.648 7.883 -0.859 1.00 3.13 H new ATOM 0 HA TYR A 93 -7.610 9.249 -2.565 1.00 40.02 H new ATOM 0 HB2 TYR A 93 -6.430 6.488 -3.050 1.00 44.31 H new ATOM 0 HB3 TYR A 93 -7.940 7.024 -3.760 1.00 44.31 H new ATOM 0 HD1 TYR A 93 -7.931 8.945 -5.391 1.00 44.51 H new ATOM 0 HD2 TYR A 93 -4.313 7.222 -3.942 1.00 0.11 H new ATOM 0 HE1 TYR A 93 -6.696 9.983 -7.243 1.00 13.41 H new ATOM 0 HE2 TYR A 93 -3.075 8.263 -5.788 1.00 54.35 H new ATOM 0 HH TYR A 93 -3.170 9.534 -7.593 1.00 2.22 H new ATOM 1481 N GLY A 94 -9.477 7.719 -1.607 1.00 44.45 N ATOM 1482 CA GLY A 94 -10.513 7.156 -0.762 1.00 2.00 C ATOM 1483 C GLY A 94 -11.016 8.142 0.273 1.00 10.05 C ATOM 1484 O GLY A 94 -10.995 9.352 0.049 1.00 23.31 O ATOM 0 H GLY A 94 -9.811 8.128 -2.480 1.00 44.45 H new ATOM 0 HA2 GLY A 94 -11.347 6.829 -1.383 1.00 2.00 H new ATOM 0 HA3 GLY A 94 -10.125 6.271 -0.258 1.00 2.00 H new ATOM 1488 N GLU A 95 -11.471 7.624 1.410 1.00 75.22 N ATOM 1489 CA GLU A 95 -11.985 8.468 2.482 1.00 2.21 C ATOM 1490 C GLU A 95 -10.984 9.563 2.839 1.00 43.54 C ATOM 1491 O GLU A 95 -11.222 10.743 2.581 1.00 63.11 O ATOM 1492 CB GLU A 95 -12.297 7.625 3.720 1.00 13.11 C ATOM 1493 CG GLU A 95 -12.628 8.451 4.952 1.00 41.43 C ATOM 1494 CD GLU A 95 -13.829 9.353 4.744 1.00 41.42 C ATOM 1495 OE1 GLU A 95 -14.813 8.899 4.125 1.00 72.43 O ATOM 1496 OE2 GLU A 95 -13.784 10.515 5.201 1.00 20.21 O ATOM 0 H GLU A 95 -11.494 6.624 1.612 1.00 75.22 H new ATOM 0 HA GLU A 95 -12.903 8.939 2.131 1.00 2.21 H new ATOM 0 HB2 GLU A 95 -13.137 6.966 3.498 1.00 13.11 H new ATOM 0 HB3 GLU A 95 -11.441 6.987 3.940 1.00 13.11 H new ATOM 0 HG2 GLU A 95 -12.821 7.783 5.792 1.00 41.43 H new ATOM 0 HG3 GLU A 95 -11.764 9.059 5.220 1.00 41.43 H new TER 1503 GLU A 95