USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 HIS : no HD1:sc= -2.86 K(o=-5.1,f=-6.1) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.459 USER MOD Set 2.3: A 48 MET CE :methyl 142:sc= -1.78 (180deg=-3.86!) USER MOD Single : A 4 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.7!) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.351 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.95 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.6!) USER MOD Single : A 14 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.9!) 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 25 MET CE :methyl -163:sc= -1.79 (180deg=-3.32!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0822 USER MOD Single : A 31 GLN : amide:sc= -7.84! C(o=-7.8!,f=-13!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 34 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.3) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -2.37! F(o=-4,f=-2.4!) USER MOD Single : A 43 GLN :FLIP amide:sc= -3.95! C(o=-4.7!,f=-3.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 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= -0.326 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 57 MET CE :methyl 174:sc= -7.6! (180deg=-8.07!) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.0177 (180deg=-0.159) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.1 X(o=-0.1,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= -0.506 USER MOD Single : A 73 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.82) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 80 SER OG : rot -20:sc= 1.26 USER MOD Single : A 81 MET CE :methyl -161:sc= -5.15 (180deg=-7.04!) 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 ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.361 0.274 17.927 1.00 24.03 N ATOM 12 CA ARG A 3 -10.613 -0.791 17.270 1.00 44.21 C ATOM 13 C ARG A 3 -9.762 -0.235 16.132 1.00 41.34 C ATOM 14 O ARG A 3 -10.284 0.352 15.184 1.00 61.40 O ATOM 15 CB ARG A 3 -11.568 -1.858 16.732 1.00 12.34 C ATOM 16 CG ARG A 3 -11.952 -2.906 17.763 1.00 31.44 C ATOM 17 CD ARG A 3 -11.759 -4.315 17.224 1.00 43.01 C ATOM 18 NE ARG A 3 -10.561 -4.949 17.767 1.00 23.50 N ATOM 19 CZ ARG A 3 -10.236 -6.218 17.545 1.00 34.45 C ATOM 20 NH1 ARG A 3 -11.017 -6.984 16.795 1.00 24.23 N ATOM 21 NH2 ARG A 3 -9.129 -6.724 18.074 1.00 14.35 N ATOM 0 HA ARG A 3 -9.951 -1.244 18.008 1.00 44.21 H new ATOM 0 HB2 ARG A 3 -12.472 -1.373 16.365 1.00 12.34 H new ATOM 0 HB3 ARG A 3 -11.103 -2.353 15.879 1.00 12.34 H new ATOM 0 HG2 ARG A 3 -11.348 -2.773 18.661 1.00 31.44 H new ATOM 0 HG3 ARG A 3 -12.993 -2.766 18.055 1.00 31.44 H new ATOM 0 HD2 ARG A 3 -12.632 -4.920 17.469 1.00 43.01 H new ATOM 0 HD3 ARG A 3 -11.690 -4.281 16.137 1.00 43.01 H new ATOM 0 HE ARG A 3 -9.940 -4.387 18.349 1.00 23.50 H new ATOM 0 HH11 ARG A 3 -11.869 -6.599 16.387 1.00 24.23 H new ATOM 0 HH12 ARG A 3 -10.765 -7.958 16.626 1.00 24.23 H new ATOM 0 HH21 ARG A 3 -8.526 -6.138 18.652 1.00 14.35 H new ATOM 0 HH22 ARG A 3 -8.881 -7.698 17.903 1.00 14.35 H new ATOM 35 N GLN A 4 -8.450 -0.423 16.234 1.00 72.14 N ATOM 36 CA GLN A 4 -7.528 0.061 15.213 1.00 21.11 C ATOM 37 C GLN A 4 -6.887 -1.102 14.463 1.00 22.11 C ATOM 38 O GLN A 4 -6.790 -2.213 14.985 1.00 3.11 O ATOM 39 CB GLN A 4 -6.444 0.933 15.848 1.00 3.31 C ATOM 40 CG GLN A 4 -5.543 0.179 16.813 1.00 72.11 C ATOM 41 CD GLN A 4 -4.259 0.925 17.117 1.00 31.04 C ATOM 42 OE1 GLN A 4 -3.893 1.867 16.414 1.00 12.10 O ATOM 43 NE2 GLN A 4 -3.567 0.507 18.171 1.00 62.14 N ATOM 0 H GLN A 4 -8.002 -0.906 17.012 1.00 72.14 H new ATOM 0 HA GLN A 4 -8.096 0.660 14.501 1.00 21.11 H new ATOM 0 HB2 GLN A 4 -5.832 1.369 15.059 1.00 3.31 H new ATOM 0 HB3 GLN A 4 -6.918 1.759 16.377 1.00 3.31 H new ATOM 0 HG2 GLN A 4 -6.083 -0.001 17.743 1.00 72.11 H new ATOM 0 HG3 GLN A 4 -5.301 -0.796 16.391 1.00 72.11 H new ATOM 0 HE21 GLN A 4 -3.908 -0.278 18.726 1.00 62.14 H new ATOM 0 HE22 GLN A 4 -2.695 0.971 18.425 1.00 62.14 H new ATOM 52 N VAL A 5 -6.451 -0.840 13.235 1.00 3.52 N ATOM 53 CA VAL A 5 -5.818 -1.864 12.413 1.00 32.11 C ATOM 54 C VAL A 5 -4.485 -1.377 11.857 1.00 2.12 C ATOM 55 O VAL A 5 -4.243 -0.173 11.763 1.00 22.21 O ATOM 56 CB VAL A 5 -6.727 -2.285 11.243 1.00 42.22 C ATOM 57 CG1 VAL A 5 -8.060 -2.802 11.761 1.00 71.10 C ATOM 58 CG2 VAL A 5 -6.933 -1.122 10.284 1.00 11.32 C ATOM 0 H VAL A 5 -6.525 0.074 12.787 1.00 3.52 H new ATOM 0 HA VAL A 5 -5.646 -2.726 13.058 1.00 32.11 H new ATOM 0 HB VAL A 5 -6.238 -3.093 10.699 1.00 42.22 H new ATOM 0 HG11 VAL A 5 -8.688 -3.095 10.920 1.00 71.10 H new ATOM 0 HG12 VAL A 5 -7.890 -3.665 12.405 1.00 71.10 H new ATOM 0 HG13 VAL A 5 -8.558 -2.017 12.330 1.00 71.10 H new ATOM 0 HG21 VAL A 5 -7.578 -1.437 9.463 1.00 11.32 H new ATOM 0 HG22 VAL A 5 -7.400 -0.292 10.814 1.00 11.32 H new ATOM 0 HG23 VAL A 5 -5.969 -0.803 9.887 1.00 11.32 H new ATOM 68 N ILE A 6 -3.623 -2.320 11.490 1.00 54.51 N ATOM 69 CA ILE A 6 -2.315 -1.986 10.941 1.00 22.04 C ATOM 70 C ILE A 6 -2.387 -1.783 9.432 1.00 61.53 C ATOM 71 O ILE A 6 -3.217 -2.389 8.753 1.00 52.11 O ATOM 72 CB ILE A 6 -1.278 -3.082 11.252 1.00 12.21 C ATOM 73 CG1 ILE A 6 -1.266 -3.393 12.750 1.00 1.22 C ATOM 74 CG2 ILE A 6 0.104 -2.652 10.784 1.00 51.35 C ATOM 75 CD1 ILE A 6 -2.254 -4.465 13.153 1.00 65.42 C ATOM 0 H ILE A 6 -3.807 -3.321 11.563 1.00 54.51 H new ATOM 0 HA ILE A 6 -2.002 -1.056 11.415 1.00 22.04 H new ATOM 0 HB ILE A 6 -1.557 -3.988 10.714 1.00 12.21 H new ATOM 0 HG12 ILE A 6 -0.263 -3.707 13.039 1.00 1.22 H new ATOM 0 HG13 ILE A 6 -1.486 -2.481 13.304 1.00 1.22 H new ATOM 0 HG21 ILE A 6 0.826 -3.437 11.011 1.00 51.35 H new ATOM 0 HG22 ILE A 6 0.085 -2.476 9.708 1.00 51.35 H new ATOM 0 HG23 ILE A 6 0.393 -1.735 11.297 1.00 51.35 H new ATOM 0 HD11 ILE A 6 -2.190 -4.633 14.228 1.00 65.42 H new ATOM 0 HD12 ILE A 6 -3.264 -4.145 12.895 1.00 65.42 H new ATOM 0 HD13 ILE A 6 -2.021 -5.391 12.627 1.00 65.42 H new ATOM 87 N CYS A 7 -1.511 -0.930 8.913 1.00 72.25 N ATOM 88 CA CYS A 7 -1.474 -0.648 7.482 1.00 74.21 C ATOM 89 C CYS A 7 -0.792 -1.781 6.722 1.00 43.31 C ATOM 90 O CYS A 7 0.007 -2.528 7.287 1.00 10.43 O ATOM 91 CB CYS A 7 -0.746 0.670 7.219 1.00 5.45 C ATOM 92 SG CYS A 7 1.042 0.590 7.478 1.00 22.12 S ATOM 0 H CYS A 7 -0.817 -0.422 9.461 1.00 72.25 H new ATOM 0 HA CYS A 7 -2.501 -0.564 7.127 1.00 74.21 H new ATOM 0 HB2 CYS A 7 -0.940 0.981 6.193 1.00 5.45 H new ATOM 0 HB3 CYS A 7 -1.163 1.439 7.870 1.00 5.45 H new ATOM 0 HG CYS A 7 1.569 1.752 7.229 1.00 22.12 H new ATOM 98 N TRP A 8 -1.113 -1.903 5.439 1.00 4.31 N ATOM 99 CA TRP A 8 -0.531 -2.946 4.602 1.00 52.12 C ATOM 100 C TRP A 8 0.508 -2.364 3.650 1.00 1.11 C ATOM 101 O TRP A 8 0.177 -1.584 2.756 1.00 33.12 O ATOM 102 CB TRP A 8 -1.626 -3.660 3.807 1.00 42.52 C ATOM 103 CG TRP A 8 -2.546 -4.476 4.663 1.00 1.34 C ATOM 104 CD1 TRP A 8 -3.402 -4.011 5.621 1.00 50.04 C ATOM 105 CD2 TRP A 8 -2.700 -5.899 4.641 1.00 2.14 C ATOM 106 NE1 TRP A 8 -4.079 -5.060 6.195 1.00 1.20 N ATOM 107 CE2 TRP A 8 -3.667 -6.228 5.611 1.00 21.43 C ATOM 108 CE3 TRP A 8 -2.117 -6.927 3.896 1.00 43.24 C ATOM 109 CZ2 TRP A 8 -4.061 -7.542 5.853 1.00 4.23 C ATOM 110 CZ3 TRP A 8 -2.508 -8.230 4.137 1.00 13.22 C ATOM 111 CH2 TRP A 8 -3.473 -8.528 5.109 1.00 71.24 C ATOM 0 H TRP A 8 -1.773 -1.293 4.956 1.00 4.31 H new ATOM 0 HA TRP A 8 -0.036 -3.666 5.253 1.00 52.12 H new ATOM 0 HB2 TRP A 8 -2.211 -2.919 3.262 1.00 42.52 H new ATOM 0 HB3 TRP A 8 -1.161 -4.309 3.065 1.00 42.52 H new ATOM 0 HD1 TRP A 8 -3.528 -2.972 5.888 1.00 50.04 H new ATOM 0 HE1 TRP A 8 -4.776 -4.981 6.936 1.00 1.20 H new ATOM 0 HE3 TRP A 8 -1.373 -6.707 3.144 1.00 43.24 H new ATOM 0 HZ2 TRP A 8 -4.804 -7.774 6.601 1.00 4.23 H new ATOM 0 HZ3 TRP A 8 -2.063 -9.032 3.567 1.00 13.22 H new ATOM 0 HH2 TRP A 8 -3.758 -9.557 5.274 1.00 71.24 H new ATOM 122 N CYS A 9 1.765 -2.747 3.847 1.00 35.11 N ATOM 123 CA CYS A 9 2.853 -2.262 3.006 1.00 52.13 C ATOM 124 C CYS A 9 3.228 -3.298 1.951 1.00 55.43 C ATOM 125 O CYS A 9 3.669 -4.400 2.277 1.00 52.22 O ATOM 126 CB CYS A 9 4.074 -1.922 3.861 1.00 22.51 C ATOM 127 SG CYS A 9 4.628 -3.274 4.927 1.00 34.10 S ATOM 0 H CYS A 9 2.056 -3.392 4.582 1.00 35.11 H new ATOM 0 HA CYS A 9 2.512 -1.360 2.498 1.00 52.13 H new ATOM 0 HB2 CYS A 9 4.894 -1.631 3.205 1.00 22.51 H new ATOM 0 HB3 CYS A 9 3.840 -1.057 4.481 1.00 22.51 H new ATOM 0 HG CYS A 9 5.667 -2.891 5.609 1.00 34.10 H new ATOM 133 N PHE A 10 3.047 -2.937 0.684 1.00 2.35 N ATOM 134 CA PHE A 10 3.364 -3.836 -0.419 1.00 53.32 C ATOM 135 C PHE A 10 4.218 -3.130 -1.468 1.00 5.23 C ATOM 136 O PHE A 10 4.304 -1.901 -1.492 1.00 22.50 O ATOM 137 CB PHE A 10 2.078 -4.361 -1.062 1.00 43.30 C ATOM 138 CG PHE A 10 1.557 -3.482 -2.163 1.00 34.20 C ATOM 139 CD1 PHE A 10 1.123 -2.194 -1.893 1.00 33.32 C ATOM 140 CD2 PHE A 10 1.501 -3.944 -3.468 1.00 75.11 C ATOM 141 CE1 PHE A 10 0.641 -1.384 -2.904 1.00 65.40 C ATOM 142 CE2 PHE A 10 1.021 -3.138 -4.484 1.00 34.54 C ATOM 143 CZ PHE A 10 0.592 -1.856 -4.201 1.00 75.51 C ATOM 0 H PHE A 10 2.683 -2.029 0.397 1.00 2.35 H new ATOM 0 HA PHE A 10 3.932 -4.676 -0.019 1.00 53.32 H new ATOM 0 HB2 PHE A 10 2.261 -5.359 -1.460 1.00 43.30 H new ATOM 0 HB3 PHE A 10 1.311 -4.461 -0.294 1.00 43.30 H new ATOM 0 HD1 PHE A 10 1.162 -1.819 -0.881 1.00 33.32 H new ATOM 0 HD2 PHE A 10 1.836 -4.945 -3.694 1.00 75.11 H new ATOM 0 HE1 PHE A 10 0.303 -0.383 -2.680 1.00 65.40 H new ATOM 0 HE2 PHE A 10 0.982 -3.510 -5.497 1.00 34.54 H new ATOM 0 HZ PHE A 10 0.219 -1.224 -4.993 1.00 75.51 H new ATOM 153 N THR A 11 4.851 -3.916 -2.334 1.00 11.51 N ATOM 154 CA THR A 11 5.700 -3.368 -3.384 1.00 5.34 C ATOM 155 C THR A 11 5.413 -4.031 -4.726 1.00 12.42 C ATOM 156 O THR A 11 5.451 -5.256 -4.846 1.00 4.04 O ATOM 157 CB THR A 11 7.193 -3.543 -3.047 1.00 23.01 C ATOM 158 OG1 THR A 11 7.432 -3.190 -1.680 1.00 32.44 O ATOM 159 CG2 THR A 11 8.058 -2.683 -3.956 1.00 12.41 C ATOM 0 H THR A 11 4.791 -4.934 -2.328 1.00 11.51 H new ATOM 0 HA THR A 11 5.472 -2.304 -3.452 1.00 5.34 H new ATOM 0 HB THR A 11 7.457 -4.589 -3.203 1.00 23.01 H new ATOM 0 HG1 THR A 11 8.383 -3.305 -1.474 1.00 32.44 H new ATOM 0 HG21 THR A 11 9.108 -2.824 -3.699 1.00 12.41 H new ATOM 0 HG22 THR A 11 7.896 -2.974 -4.994 1.00 12.41 H new ATOM 0 HG23 THR A 11 7.790 -1.634 -3.827 1.00 12.41 H new ATOM 167 N LEU A 12 5.125 -3.215 -5.734 1.00 10.43 N ATOM 168 CA LEU A 12 4.831 -3.722 -7.069 1.00 64.44 C ATOM 169 C LEU A 12 5.901 -3.285 -8.065 1.00 53.04 C ATOM 170 O LEU A 12 6.124 -2.092 -8.267 1.00 62.21 O ATOM 171 CB LEU A 12 3.457 -3.234 -7.532 1.00 25.04 C ATOM 172 CG LEU A 12 3.059 -3.605 -8.961 1.00 2.43 C ATOM 173 CD1 LEU A 12 3.365 -5.068 -9.237 1.00 73.54 C ATOM 174 CD2 LEU A 12 1.585 -3.312 -9.196 1.00 54.23 C ATOM 0 H LEU A 12 5.089 -2.199 -5.652 1.00 10.43 H new ATOM 0 HA LEU A 12 4.826 -4.811 -7.024 1.00 64.44 H new ATOM 0 HB2 LEU A 12 2.704 -3.632 -6.852 1.00 25.04 H new ATOM 0 HB3 LEU A 12 3.429 -2.148 -7.439 1.00 25.04 H new ATOM 0 HG LEU A 12 3.644 -2.997 -9.651 1.00 2.43 H new ATOM 0 HD11 LEU A 12 3.075 -5.314 -10.259 1.00 73.54 H new ATOM 0 HD12 LEU A 12 4.433 -5.247 -9.110 1.00 73.54 H new ATOM 0 HD13 LEU A 12 2.807 -5.694 -8.541 1.00 73.54 H new ATOM 0 HD21 LEU A 12 1.319 -3.582 -10.218 1.00 54.23 H new ATOM 0 HD22 LEU A 12 0.983 -3.894 -8.498 1.00 54.23 H new ATOM 0 HD23 LEU A 12 1.396 -2.250 -9.040 1.00 54.23 H new ATOM 186 N ASN A 13 6.557 -4.259 -8.687 1.00 22.31 N ATOM 187 CA ASN A 13 7.602 -3.975 -9.664 1.00 0.22 C ATOM 188 C ASN A 13 7.063 -4.090 -11.086 1.00 72.13 C ATOM 189 O ASN A 13 6.405 -5.070 -11.434 1.00 10.21 O ATOM 190 CB ASN A 13 8.781 -4.932 -9.474 1.00 53.31 C ATOM 191 CG ASN A 13 8.457 -6.344 -9.923 1.00 43.42 C ATOM 192 OD1 ASN A 13 7.619 -7.020 -9.327 1.00 53.32 O ATOM 193 ND2 ASN A 13 9.123 -6.795 -10.979 1.00 63.54 N ATOM 0 H ASN A 13 6.383 -5.252 -8.532 1.00 22.31 H new ATOM 0 HA ASN A 13 7.944 -2.952 -9.506 1.00 0.22 H new ATOM 0 HB2 ASN A 13 9.639 -4.563 -10.035 1.00 53.31 H new ATOM 0 HB3 ASN A 13 9.069 -4.945 -8.423 1.00 53.31 H new ATOM 0 HD21 ASN A 13 8.949 -7.738 -11.328 1.00 63.54 H new ATOM 0 HD22 ASN A 13 9.809 -6.199 -11.442 1.00 63.54 H new ATOM 200 N ASN A 14 7.347 -3.082 -11.905 1.00 22.14 N ATOM 201 CA ASN A 14 6.891 -3.070 -13.290 1.00 30.22 C ATOM 202 C ASN A 14 5.392 -3.344 -13.371 1.00 64.54 C ATOM 203 O ASN A 14 4.952 -4.375 -13.882 1.00 15.44 O ATOM 204 CB ASN A 14 7.657 -4.111 -14.110 1.00 14.42 C ATOM 205 CG ASN A 14 9.096 -3.704 -14.361 1.00 52.30 C ATOM 206 OD1 ASN A 14 9.692 -2.971 -13.572 1.00 2.02 O ATOM 207 ND2 ASN A 14 9.661 -4.179 -15.465 1.00 55.41 N ATOM 0 H ASN A 14 7.891 -2.263 -11.633 1.00 22.14 H new ATOM 0 HA ASN A 14 7.084 -2.080 -13.702 1.00 30.22 H new ATOM 0 HB2 ASN A 14 7.639 -5.067 -13.587 1.00 14.42 H new ATOM 0 HB3 ASN A 14 7.153 -4.260 -15.065 1.00 14.42 H new ATOM 0 HD21 ASN A 14 10.627 -3.939 -15.687 1.00 55.41 H new ATOM 0 HD22 ASN A 14 9.129 -4.784 -16.091 1.00 55.41 H new ATOM 214 N PRO A 15 4.589 -2.401 -12.857 1.00 64.13 N ATOM 215 CA PRO A 15 3.128 -2.517 -12.861 1.00 21.52 C ATOM 216 C PRO A 15 2.540 -2.393 -14.262 1.00 61.12 C ATOM 217 O PRO A 15 3.233 -2.008 -15.205 1.00 73.44 O ATOM 218 CB PRO A 15 2.677 -1.346 -11.986 1.00 12.44 C ATOM 219 CG PRO A 15 3.780 -0.350 -12.088 1.00 1.34 C ATOM 220 CD PRO A 15 5.046 -1.148 -12.233 1.00 41.25 C ATOM 0 HA PRO A 15 2.796 -3.490 -12.499 1.00 21.52 H new ATOM 0 HB2 PRO A 15 1.733 -0.929 -12.338 1.00 12.44 H new ATOM 0 HB3 PRO A 15 2.521 -1.660 -10.954 1.00 12.44 H new ATOM 0 HG2 PRO A 15 3.633 0.308 -12.944 1.00 1.34 H new ATOM 0 HG3 PRO A 15 3.817 0.283 -11.202 1.00 1.34 H new ATOM 0 HD2 PRO A 15 5.777 -0.632 -12.856 1.00 41.25 H new ATOM 0 HD3 PRO A 15 5.520 -1.329 -11.268 1.00 41.25 H new ATOM 228 N LEU A 16 1.259 -2.720 -14.392 1.00 62.34 N ATOM 229 CA LEU A 16 0.577 -2.645 -15.680 1.00 2.42 C ATOM 230 C LEU A 16 -0.488 -1.553 -15.668 1.00 74.22 C ATOM 231 O LEU A 16 -0.967 -1.128 -16.719 1.00 42.35 O ATOM 232 CB LEU A 16 -0.061 -3.992 -16.021 1.00 63.43 C ATOM 233 CG LEU A 16 0.707 -4.866 -17.014 1.00 23.13 C ATOM 234 CD1 LEU A 16 0.844 -4.159 -18.353 1.00 53.02 C ATOM 235 CD2 LEU A 16 2.077 -5.228 -16.457 1.00 52.45 C ATOM 0 H LEU A 16 0.672 -3.040 -13.622 1.00 62.34 H new ATOM 0 HA LEU A 16 1.317 -2.398 -16.442 1.00 2.42 H new ATOM 0 HB2 LEU A 16 -0.190 -4.555 -15.096 1.00 63.43 H new ATOM 0 HB3 LEU A 16 -1.057 -3.808 -16.424 1.00 63.43 H new ATOM 0 HG LEU A 16 0.145 -5.787 -17.169 1.00 23.13 H new ATOM 0 HD11 LEU A 16 1.393 -4.796 -19.046 1.00 53.02 H new ATOM 0 HD12 LEU A 16 -0.147 -3.951 -18.758 1.00 53.02 H new ATOM 0 HD13 LEU A 16 1.384 -3.222 -18.216 1.00 53.02 H new ATOM 0 HD21 LEU A 16 2.610 -5.850 -17.176 1.00 52.45 H new ATOM 0 HD22 LEU A 16 2.647 -4.317 -16.273 1.00 52.45 H new ATOM 0 HD23 LEU A 16 1.957 -5.776 -15.523 1.00 52.45 H new ATOM 247 N SER A 17 -0.854 -1.103 -14.472 1.00 41.12 N ATOM 248 CA SER A 17 -1.864 -0.062 -14.323 1.00 50.24 C ATOM 249 C SER A 17 -1.878 0.482 -12.898 1.00 31.42 C ATOM 250 O SER A 17 -1.398 -0.154 -11.959 1.00 42.11 O ATOM 251 CB SER A 17 -3.246 -0.607 -14.687 1.00 73.21 C ATOM 252 OG SER A 17 -4.013 -0.870 -13.525 1.00 21.14 O ATOM 0 H SER A 17 -0.466 -1.443 -13.592 1.00 41.12 H new ATOM 0 HA SER A 17 -1.613 0.753 -15.002 1.00 50.24 H new ATOM 0 HB2 SER A 17 -3.770 0.112 -15.317 1.00 73.21 H new ATOM 0 HB3 SER A 17 -3.138 -1.522 -15.270 1.00 73.21 H new ATOM 0 HG SER A 17 -4.892 -1.216 -13.785 1.00 21.14 H new ATOM 258 N PRO A 18 -2.442 1.687 -12.731 1.00 34.14 N ATOM 259 CA PRO A 18 -2.534 2.344 -11.423 1.00 60.51 C ATOM 260 C PRO A 18 -3.518 1.645 -10.491 1.00 72.12 C ATOM 261 O PRO A 18 -4.348 0.848 -10.932 1.00 42.21 O ATOM 262 CB PRO A 18 -3.030 3.750 -11.767 1.00 4.43 C ATOM 263 CG PRO A 18 -3.753 3.592 -13.059 1.00 40.14 C ATOM 264 CD PRO A 18 -3.035 2.501 -13.805 1.00 1.31 C ATOM 0 HA PRO A 18 -1.582 2.331 -10.892 1.00 60.51 H new ATOM 0 HB2 PRO A 18 -3.688 4.138 -10.990 1.00 4.43 H new ATOM 0 HB3 PRO A 18 -2.200 4.450 -11.861 1.00 4.43 H new ATOM 0 HG2 PRO A 18 -4.797 3.328 -12.892 1.00 40.14 H new ATOM 0 HG3 PRO A 18 -3.746 4.523 -13.626 1.00 40.14 H new ATOM 0 HD2 PRO A 18 -3.720 1.917 -14.420 1.00 1.31 H new ATOM 0 HD3 PRO A 18 -2.272 2.904 -14.471 1.00 1.31 H new ATOM 272 N LEU A 19 -3.422 1.948 -9.202 1.00 5.15 N ATOM 273 CA LEU A 19 -4.304 1.349 -8.207 1.00 14.25 C ATOM 274 C LEU A 19 -5.541 2.215 -7.984 1.00 64.40 C ATOM 275 O LEU A 19 -5.620 3.339 -8.478 1.00 13.31 O ATOM 276 CB LEU A 19 -3.559 1.156 -6.885 1.00 23.40 C ATOM 277 CG LEU A 19 -2.097 0.722 -6.997 1.00 4.45 C ATOM 278 CD1 LEU A 19 -1.449 0.669 -5.621 1.00 74.43 C ATOM 279 CD2 LEU A 19 -1.992 -0.628 -7.690 1.00 42.14 C ATOM 0 H LEU A 19 -2.742 2.605 -8.821 1.00 5.15 H new ATOM 0 HA LEU A 19 -4.625 0.377 -8.581 1.00 14.25 H new ATOM 0 HB2 LEU A 19 -3.598 2.093 -6.329 1.00 23.40 H new ATOM 0 HB3 LEU A 19 -4.094 0.412 -6.294 1.00 23.40 H new ATOM 0 HG LEU A 19 -1.565 1.459 -7.599 1.00 4.45 H new ATOM 0 HD11 LEU A 19 -0.409 0.358 -5.720 1.00 74.43 H new ATOM 0 HD12 LEU A 19 -1.490 1.656 -5.161 1.00 74.43 H new ATOM 0 HD13 LEU A 19 -1.983 -0.046 -4.995 1.00 74.43 H new ATOM 0 HD21 LEU A 19 -0.944 -0.920 -7.761 1.00 42.14 H new ATOM 0 HD22 LEU A 19 -2.539 -1.375 -7.116 1.00 42.14 H new ATOM 0 HD23 LEU A 19 -2.417 -0.557 -8.691 1.00 42.14 H new ATOM 291 N SER A 20 -6.502 1.683 -7.236 1.00 21.03 N ATOM 292 CA SER A 20 -7.735 2.406 -6.949 1.00 13.13 C ATOM 293 C SER A 20 -8.264 2.050 -5.563 1.00 21.24 C ATOM 294 O SER A 20 -7.842 1.062 -4.959 1.00 52.13 O ATOM 295 CB SER A 20 -8.794 2.091 -8.007 1.00 50.33 C ATOM 296 OG SER A 20 -9.036 0.697 -8.087 1.00 55.43 O ATOM 0 H SER A 20 -6.451 0.754 -6.818 1.00 21.03 H new ATOM 0 HA SER A 20 -7.514 3.473 -6.972 1.00 13.13 H new ATOM 0 HB2 SER A 20 -9.721 2.611 -7.764 1.00 50.33 H new ATOM 0 HB3 SER A 20 -8.465 2.462 -8.977 1.00 50.33 H new ATOM 0 HG SER A 20 -9.718 0.522 -8.769 1.00 55.43 H new ATOM 302 N LEU A 21 -9.190 2.861 -5.063 1.00 62.02 N ATOM 303 CA LEU A 21 -9.778 2.633 -3.748 1.00 22.12 C ATOM 304 C LEU A 21 -10.584 1.338 -3.729 1.00 23.03 C ATOM 305 O LEU A 21 -11.098 0.899 -4.758 1.00 14.41 O ATOM 306 CB LEU A 21 -10.673 3.810 -3.356 1.00 61.15 C ATOM 307 CG LEU A 21 -11.385 3.693 -2.008 1.00 70.54 C ATOM 308 CD1 LEU A 21 -10.377 3.699 -0.870 1.00 22.42 C ATOM 309 CD2 LEU A 21 -12.392 4.820 -1.837 1.00 53.23 C ATOM 0 H LEU A 21 -9.550 3.683 -5.549 1.00 62.02 H new ATOM 0 HA LEU A 21 -8.967 2.545 -3.025 1.00 22.12 H new ATOM 0 HB2 LEU A 21 -10.065 4.715 -3.346 1.00 61.15 H new ATOM 0 HB3 LEU A 21 -11.427 3.941 -4.132 1.00 61.15 H new ATOM 0 HG LEU A 21 -11.923 2.745 -1.984 1.00 70.54 H new ATOM 0 HD11 LEU A 21 -10.902 3.615 0.082 1.00 22.42 H new ATOM 0 HD12 LEU A 21 -9.695 2.856 -0.984 1.00 22.42 H new ATOM 0 HD13 LEU A 21 -9.810 4.630 -0.891 1.00 22.42 H new ATOM 0 HD21 LEU A 21 -12.889 4.720 -0.872 1.00 53.23 H new ATOM 0 HD22 LEU A 21 -11.876 5.779 -1.882 1.00 53.23 H new ATOM 0 HD23 LEU A 21 -13.134 4.769 -2.634 1.00 53.23 H new ATOM 321 N HIS A 22 -10.691 0.731 -2.551 1.00 12.11 N ATOM 322 CA HIS A 22 -11.437 -0.513 -2.397 1.00 14.30 C ATOM 323 C HIS A 22 -12.622 -0.322 -1.455 1.00 34.30 C ATOM 324 O HIS A 22 -12.471 0.194 -0.348 1.00 22.35 O ATOM 325 CB HIS A 22 -10.523 -1.618 -1.868 1.00 73.44 C ATOM 326 CG HIS A 22 -11.027 -3.000 -2.155 1.00 4.41 C ATOM 327 ND1 HIS A 22 -10.994 -4.020 -1.228 1.00 12.22 N ATOM 328 CD2 HIS A 22 -11.579 -3.527 -3.273 1.00 5.42 C ATOM 329 CE1 HIS A 22 -11.503 -5.115 -1.764 1.00 22.04 C ATOM 330 NE2 HIS A 22 -11.865 -4.842 -3.004 1.00 75.30 N ATOM 0 H HIS A 22 -10.271 1.080 -1.690 1.00 12.11 H new ATOM 0 HA HIS A 22 -11.817 -0.804 -3.376 1.00 14.30 H new ATOM 0 HB2 HIS A 22 -9.533 -1.502 -2.309 1.00 73.44 H new ATOM 0 HB3 HIS A 22 -10.408 -1.498 -0.791 1.00 73.44 H new ATOM 0 HD2 HIS A 22 -11.760 -3.009 -4.203 1.00 5.42 H new ATOM 0 HE1 HIS A 22 -11.606 -6.071 -1.272 1.00 22.04 H new ATOM 0 HE2 HIS A 22 -12.289 -5.502 -3.656 1.00 75.30 H new ATOM 338 N ASP A 23 -13.801 -0.741 -1.903 1.00 21.34 N ATOM 339 CA ASP A 23 -15.012 -0.617 -1.100 1.00 22.35 C ATOM 340 C ASP A 23 -14.830 -1.277 0.264 1.00 5.40 C ATOM 341 O ASP A 23 -15.512 -0.931 1.228 1.00 12.51 O ATOM 342 CB ASP A 23 -16.200 -1.246 -1.829 1.00 61.22 C ATOM 343 CG ASP A 23 -16.824 -0.303 -2.839 1.00 31.40 C ATOM 344 OD1 ASP A 23 -17.664 0.527 -2.434 1.00 42.43 O ATOM 345 OD2 ASP A 23 -16.474 -0.397 -4.034 1.00 43.22 O ATOM 0 H ASP A 23 -13.944 -1.169 -2.818 1.00 21.34 H new ATOM 0 HA ASP A 23 -15.209 0.444 -0.947 1.00 22.35 H new ATOM 0 HB2 ASP A 23 -15.872 -2.153 -2.337 1.00 61.22 H new ATOM 0 HB3 ASP A 23 -16.954 -1.544 -1.100 1.00 61.22 H new ATOM 350 N SER A 24 -13.905 -2.229 0.336 1.00 0.24 N ATOM 351 CA SER A 24 -13.636 -2.940 1.581 1.00 72.24 C ATOM 352 C SER A 24 -12.704 -2.132 2.478 1.00 11.12 C ATOM 353 O SER A 24 -12.886 -2.080 3.694 1.00 34.11 O ATOM 354 CB SER A 24 -13.020 -4.309 1.287 1.00 24.21 C ATOM 355 OG SER A 24 -13.649 -4.925 0.177 1.00 54.21 O ATOM 0 H SER A 24 -13.330 -2.526 -0.452 1.00 0.24 H new ATOM 0 HA SER A 24 -14.583 -3.080 2.103 1.00 72.24 H new ATOM 0 HB2 SER A 24 -11.954 -4.196 1.088 1.00 24.21 H new ATOM 0 HB3 SER A 24 -13.115 -4.949 2.164 1.00 24.21 H new ATOM 0 HG SER A 24 -13.350 -5.856 0.106 1.00 54.21 H new ATOM 361 N MET A 25 -11.705 -1.502 1.869 1.00 61.43 N ATOM 362 CA MET A 25 -10.744 -0.695 2.612 1.00 72.32 C ATOM 363 C MET A 25 -11.328 0.674 2.946 1.00 21.23 C ATOM 364 O MET A 25 -12.483 0.961 2.633 1.00 34.00 O ATOM 365 CB MET A 25 -9.454 -0.530 1.807 1.00 41.34 C ATOM 366 CG MET A 25 -9.522 0.581 0.771 1.00 74.54 C ATOM 367 SD MET A 25 -7.897 1.047 0.143 1.00 34.45 S ATOM 368 CE MET A 25 -7.698 -0.133 -1.189 1.00 65.51 C ATOM 0 H MET A 25 -11.540 -1.535 0.863 1.00 61.43 H new ATOM 0 HA MET A 25 -10.517 -1.211 3.545 1.00 72.32 H new ATOM 0 HB2 MET A 25 -8.631 -0.327 2.492 1.00 41.34 H new ATOM 0 HB3 MET A 25 -9.226 -1.470 1.305 1.00 41.34 H new ATOM 0 HG2 MET A 25 -10.150 0.259 -0.060 1.00 74.54 H new ATOM 0 HG3 MET A 25 -10.001 1.455 1.212 1.00 74.54 H new ATOM 0 HE1 MET A 25 -6.648 -0.183 -1.477 1.00 65.51 H new ATOM 0 HE2 MET A 25 -8.030 -1.116 -0.857 1.00 65.51 H new ATOM 0 HE3 MET A 25 -8.295 0.181 -2.045 1.00 65.51 H new ATOM 378 N LYS A 26 -10.522 1.516 3.585 1.00 70.45 N ATOM 379 CA LYS A 26 -10.957 2.855 3.961 1.00 15.21 C ATOM 380 C LYS A 26 -10.288 3.911 3.087 1.00 24.23 C ATOM 381 O LYS A 26 -10.919 4.887 2.682 1.00 11.01 O ATOM 382 CB LYS A 26 -10.641 3.121 5.434 1.00 5.54 C ATOM 383 CG LYS A 26 -11.875 3.220 6.314 1.00 21.20 C ATOM 384 CD LYS A 26 -12.466 4.619 6.290 1.00 15.24 C ATOM 385 CE LYS A 26 -13.632 4.748 7.259 1.00 75.24 C ATOM 386 NZ LYS A 26 -13.937 6.171 7.574 1.00 73.12 N ATOM 0 H LYS A 26 -9.563 1.294 3.853 1.00 70.45 H new ATOM 0 HA LYS A 26 -12.035 2.915 3.810 1.00 15.21 H new ATOM 0 HB2 LYS A 26 -10.001 2.323 5.809 1.00 5.54 H new ATOM 0 HB3 LYS A 26 -10.074 4.048 5.513 1.00 5.54 H new ATOM 0 HG2 LYS A 26 -12.623 2.502 5.976 1.00 21.20 H new ATOM 0 HG3 LYS A 26 -11.615 2.951 7.338 1.00 21.20 H new ATOM 0 HD2 LYS A 26 -11.695 5.345 6.548 1.00 15.24 H new ATOM 0 HD3 LYS A 26 -12.802 4.856 5.281 1.00 15.24 H new ATOM 0 HE2 LYS A 26 -14.515 4.274 6.830 1.00 75.24 H new ATOM 0 HE3 LYS A 26 -13.399 4.214 8.180 1.00 75.24 H new ATOM 0 HZ1 LYS A 26 -14.737 6.216 8.237 1.00 73.12 H new ATOM 0 HZ2 LYS A 26 -13.103 6.617 8.007 1.00 73.12 H new ATOM 0 HZ3 LYS A 26 -14.184 6.675 6.699 1.00 73.12 H new ATOM 400 N TYR A 27 -9.007 3.708 2.800 1.00 63.14 N ATOM 401 CA TYR A 27 -8.251 4.643 1.974 1.00 34.12 C ATOM 402 C TYR A 27 -7.030 3.965 1.361 1.00 30.43 C ATOM 403 O TYR A 27 -6.415 3.092 1.976 1.00 14.03 O ATOM 404 CB TYR A 27 -7.815 5.851 2.805 1.00 63.05 C ATOM 405 CG TYR A 27 -7.350 5.492 4.198 1.00 53.10 C ATOM 406 CD1 TYR A 27 -6.104 4.915 4.409 1.00 71.42 C ATOM 407 CD2 TYR A 27 -8.158 5.729 5.303 1.00 3.34 C ATOM 408 CE1 TYR A 27 -5.676 4.584 5.680 1.00 3.30 C ATOM 409 CE2 TYR A 27 -7.737 5.404 6.578 1.00 20.33 C ATOM 410 CZ TYR A 27 -6.495 4.831 6.761 1.00 15.34 C ATOM 411 OH TYR A 27 -6.073 4.504 8.030 1.00 53.23 O ATOM 0 H TYR A 27 -8.470 2.905 3.127 1.00 63.14 H new ATOM 0 HA TYR A 27 -8.899 4.981 1.166 1.00 34.12 H new ATOM 0 HB2 TYR A 27 -7.009 6.368 2.284 1.00 63.05 H new ATOM 0 HB3 TYR A 27 -8.648 6.551 2.878 1.00 63.05 H new ATOM 0 HD1 TYR A 27 -5.459 4.722 3.565 1.00 71.42 H new ATOM 0 HD2 TYR A 27 -9.132 6.175 5.163 1.00 3.34 H new ATOM 0 HE1 TYR A 27 -4.705 4.134 5.826 1.00 3.30 H new ATOM 0 HE2 TYR A 27 -8.376 5.597 7.427 1.00 20.33 H new ATOM 0 HH TYR A 27 -6.768 4.744 8.678 1.00 53.23 H new ATOM 421 N LEU A 28 -6.683 4.372 0.145 1.00 13.24 N ATOM 422 CA LEU A 28 -5.535 3.805 -0.553 1.00 3.41 C ATOM 423 C LEU A 28 -4.420 4.837 -0.693 1.00 63.25 C ATOM 424 O LEU A 28 -4.656 5.968 -1.119 1.00 64.41 O ATOM 425 CB LEU A 28 -5.952 3.298 -1.934 1.00 73.31 C ATOM 426 CG LEU A 28 -5.041 3.691 -3.098 1.00 14.14 C ATOM 427 CD1 LEU A 28 -3.728 2.927 -3.029 1.00 51.31 C ATOM 428 CD2 LEU A 28 -5.737 3.441 -4.428 1.00 11.23 C ATOM 0 H LEU A 28 -7.180 5.093 -0.378 1.00 13.24 H new ATOM 0 HA LEU A 28 -5.160 2.968 0.036 1.00 3.41 H new ATOM 0 HB2 LEU A 28 -6.011 2.210 -1.897 1.00 73.31 H new ATOM 0 HB3 LEU A 28 -6.956 3.665 -2.145 1.00 73.31 H new ATOM 0 HG LEU A 28 -4.822 4.756 -3.020 1.00 14.14 H new ATOM 0 HD11 LEU A 28 -3.093 3.219 -3.865 1.00 51.31 H new ATOM 0 HD12 LEU A 28 -3.222 3.157 -2.091 1.00 51.31 H new ATOM 0 HD13 LEU A 28 -3.927 1.857 -3.081 1.00 51.31 H new ATOM 0 HD21 LEU A 28 -5.074 3.726 -5.245 1.00 11.23 H new ATOM 0 HD22 LEU A 28 -5.986 2.383 -4.515 1.00 11.23 H new ATOM 0 HD23 LEU A 28 -6.650 4.034 -4.478 1.00 11.23 H new ATOM 440 N VAL A 29 -3.203 4.438 -0.335 1.00 13.32 N ATOM 441 CA VAL A 29 -2.051 5.327 -0.424 1.00 25.50 C ATOM 442 C VAL A 29 -0.882 4.642 -1.124 1.00 20.22 C ATOM 443 O VAL A 29 -0.420 3.584 -0.694 1.00 14.53 O ATOM 444 CB VAL A 29 -1.595 5.797 0.970 1.00 13.12 C ATOM 445 CG1 VAL A 29 -0.354 6.670 0.861 1.00 72.44 C ATOM 446 CG2 VAL A 29 -2.720 6.541 1.674 1.00 2.33 C ATOM 0 H VAL A 29 -2.990 3.505 0.019 1.00 13.32 H new ATOM 0 HA VAL A 29 -2.364 6.193 -1.007 1.00 25.50 H new ATOM 0 HB VAL A 29 -1.341 4.920 1.565 1.00 13.12 H new ATOM 0 HG11 VAL A 29 -0.047 6.992 1.856 1.00 72.44 H new ATOM 0 HG12 VAL A 29 0.452 6.100 0.399 1.00 72.44 H new ATOM 0 HG13 VAL A 29 -0.577 7.544 0.249 1.00 72.44 H new ATOM 0 HG21 VAL A 29 -2.381 6.866 2.658 1.00 2.33 H new ATOM 0 HG22 VAL A 29 -3.007 7.411 1.083 1.00 2.33 H new ATOM 0 HG23 VAL A 29 -3.579 5.880 1.786 1.00 2.33 H new ATOM 456 N TYR A 30 -0.407 5.251 -2.204 1.00 55.44 N ATOM 457 CA TYR A 30 0.707 4.700 -2.966 1.00 31.31 C ATOM 458 C TYR A 30 1.531 5.811 -3.609 1.00 12.24 C ATOM 459 O TYR A 30 1.068 6.944 -3.742 1.00 34.44 O ATOM 460 CB TYR A 30 0.192 3.743 -4.043 1.00 10.31 C ATOM 461 CG TYR A 30 -0.287 4.443 -5.295 1.00 65.31 C ATOM 462 CD1 TYR A 30 -1.570 4.969 -5.374 1.00 30.34 C ATOM 463 CD2 TYR A 30 0.546 4.578 -6.400 1.00 14.24 C ATOM 464 CE1 TYR A 30 -2.011 5.608 -6.516 1.00 75.40 C ATOM 465 CE2 TYR A 30 0.113 5.217 -7.546 1.00 21.03 C ATOM 466 CZ TYR A 30 -1.166 5.729 -7.599 1.00 53.52 C ATOM 467 OH TYR A 30 -1.602 6.367 -8.739 1.00 22.45 O ATOM 0 H TYR A 30 -0.776 6.128 -2.572 1.00 55.44 H new ATOM 0 HA TYR A 30 1.348 4.150 -2.277 1.00 31.31 H new ATOM 0 HB2 TYR A 30 0.987 3.046 -4.308 1.00 10.31 H new ATOM 0 HB3 TYR A 30 -0.626 3.152 -3.631 1.00 10.31 H new ATOM 0 HD1 TYR A 30 -2.234 4.877 -4.528 1.00 30.34 H new ATOM 0 HD2 TYR A 30 1.548 4.177 -6.362 1.00 14.24 H new ATOM 0 HE1 TYR A 30 -3.012 6.011 -6.561 1.00 75.40 H new ATOM 0 HE2 TYR A 30 0.773 5.315 -8.395 1.00 21.03 H new ATOM 0 HH TYR A 30 -0.886 6.368 -9.408 1.00 22.45 H new ATOM 477 N GLN A 31 2.755 5.478 -4.006 1.00 35.42 N ATOM 478 CA GLN A 31 3.644 6.447 -4.635 1.00 12.03 C ATOM 479 C GLN A 31 4.514 5.780 -5.694 1.00 63.35 C ATOM 480 O GLN A 31 4.742 4.570 -5.655 1.00 73.05 O ATOM 481 CB GLN A 31 4.527 7.119 -3.582 1.00 13.12 C ATOM 482 CG GLN A 31 5.524 6.174 -2.931 1.00 43.34 C ATOM 483 CD GLN A 31 6.754 5.944 -3.788 1.00 10.24 C ATOM 484 OE1 GLN A 31 7.476 6.884 -4.123 1.00 31.23 O ATOM 485 NE2 GLN A 31 6.999 4.690 -4.147 1.00 24.43 N ATOM 0 H GLN A 31 3.153 4.545 -3.903 1.00 35.42 H new ATOM 0 HA GLN A 31 3.029 7.205 -5.121 1.00 12.03 H new ATOM 0 HB2 GLN A 31 5.070 7.942 -4.047 1.00 13.12 H new ATOM 0 HB3 GLN A 31 3.891 7.552 -2.809 1.00 13.12 H new ATOM 0 HG2 GLN A 31 5.828 6.581 -1.967 1.00 43.34 H new ATOM 0 HG3 GLN A 31 5.038 5.218 -2.735 1.00 43.34 H new ATOM 0 HE21 GLN A 31 6.374 3.942 -3.847 1.00 24.43 H new ATOM 0 HE22 GLN A 31 7.812 4.474 -4.723 1.00 24.43 H new ATOM 494 N THR A 32 4.999 6.576 -6.642 1.00 64.12 N ATOM 495 CA THR A 32 5.844 6.063 -7.714 1.00 35.44 C ATOM 496 C THR A 32 7.321 6.258 -7.391 1.00 74.23 C ATOM 497 O THR A 32 7.721 7.305 -6.883 1.00 73.35 O ATOM 498 CB THR A 32 5.527 6.749 -9.056 1.00 5.22 C ATOM 499 OG1 THR A 32 4.222 7.335 -9.011 1.00 12.43 O ATOM 500 CG2 THR A 32 5.603 5.754 -10.204 1.00 33.23 C ATOM 0 H THR A 32 4.821 7.579 -6.689 1.00 64.12 H new ATOM 0 HA THR A 32 5.633 4.997 -7.801 1.00 35.44 H new ATOM 0 HB THR A 32 6.269 7.530 -9.223 1.00 5.22 H new ATOM 0 HG1 THR A 32 4.029 7.770 -9.868 1.00 12.43 H new ATOM 0 HG21 THR A 32 5.375 6.262 -11.141 1.00 33.23 H new ATOM 0 HG22 THR A 32 6.607 5.332 -10.254 1.00 33.23 H new ATOM 0 HG23 THR A 32 4.881 4.954 -10.040 1.00 33.23 H new ATOM 508 N GLU A 33 8.126 5.243 -7.690 1.00 40.45 N ATOM 509 CA GLU A 33 9.560 5.305 -7.432 1.00 13.22 C ATOM 510 C GLU A 33 10.351 4.779 -8.626 1.00 22.25 C ATOM 511 O GLU A 33 9.842 3.989 -9.420 1.00 25.51 O ATOM 512 CB GLU A 33 9.910 4.500 -6.179 1.00 34.23 C ATOM 513 CG GLU A 33 10.160 5.361 -4.952 1.00 61.30 C ATOM 514 CD GLU A 33 9.986 4.594 -3.656 1.00 24.34 C ATOM 515 OE1 GLU A 33 9.420 3.482 -3.695 1.00 32.32 O ATOM 516 OE2 GLU A 33 10.418 5.106 -2.601 1.00 51.15 O ATOM 0 H GLU A 33 7.810 4.369 -8.111 1.00 40.45 H new ATOM 0 HA GLU A 33 9.830 6.349 -7.272 1.00 13.22 H new ATOM 0 HB2 GLU A 33 9.098 3.805 -5.965 1.00 34.23 H new ATOM 0 HB3 GLU A 33 10.798 3.901 -6.379 1.00 34.23 H new ATOM 0 HG2 GLU A 33 11.171 5.766 -4.997 1.00 61.30 H new ATOM 0 HG3 GLU A 33 9.476 6.209 -4.962 1.00 61.30 H new ATOM 523 N GLN A 34 11.598 5.224 -8.744 1.00 60.20 N ATOM 524 CA GLN A 34 12.459 4.799 -9.841 1.00 63.40 C ATOM 525 C GLN A 34 13.411 3.696 -9.390 1.00 23.22 C ATOM 526 O GLN A 34 13.953 3.743 -8.286 1.00 72.42 O ATOM 527 CB GLN A 34 13.256 5.987 -10.382 1.00 3.03 C ATOM 528 CG GLN A 34 13.131 6.170 -11.886 1.00 23.33 C ATOM 529 CD GLN A 34 14.453 5.994 -12.607 1.00 21.42 C ATOM 530 OE1 GLN A 34 15.356 5.316 -12.115 1.00 42.22 O ATOM 531 NE2 GLN A 34 14.574 6.604 -13.780 1.00 34.10 N ATOM 0 H GLN A 34 12.034 5.878 -8.094 1.00 60.20 H new ATOM 0 HA GLN A 34 11.825 4.404 -10.635 1.00 63.40 H new ATOM 0 HB2 GLN A 34 12.919 6.896 -9.885 1.00 3.03 H new ATOM 0 HB3 GLN A 34 14.307 5.855 -10.127 1.00 3.03 H new ATOM 0 HG2 GLN A 34 12.410 5.452 -12.277 1.00 23.33 H new ATOM 0 HG3 GLN A 34 12.737 7.164 -12.096 1.00 23.33 H new ATOM 0 HE21 GLN A 34 13.800 7.156 -14.150 1.00 34.10 H new ATOM 0 HE22 GLN A 34 15.441 6.521 -14.311 1.00 34.10 H new ATOM 540 N GLY A 35 13.610 2.703 -10.252 1.00 4.13 N ATOM 541 CA GLY A 35 14.497 1.602 -9.923 1.00 73.10 C ATOM 542 C GLY A 35 15.020 0.891 -11.155 1.00 41.34 C ATOM 543 O GLY A 35 15.521 1.529 -12.081 1.00 21.12 O ATOM 0 H GLY A 35 13.173 2.641 -11.172 1.00 4.13 H new ATOM 0 HA2 GLY A 35 15.338 1.978 -9.340 1.00 73.10 H new ATOM 0 HA3 GLY A 35 13.967 0.888 -9.293 1.00 73.10 H new ATOM 547 N GLU A 36 14.905 -0.433 -11.167 1.00 23.15 N ATOM 548 CA GLU A 36 15.374 -1.230 -12.294 1.00 74.31 C ATOM 549 C GLU A 36 14.983 -0.581 -13.619 1.00 33.42 C ATOM 550 O GLU A 36 13.801 -0.389 -13.903 1.00 11.32 O ATOM 551 CB GLU A 36 14.800 -2.647 -12.219 1.00 4.02 C ATOM 552 CG GLU A 36 13.340 -2.691 -11.801 1.00 61.34 C ATOM 553 CD GLU A 36 12.755 -4.088 -11.874 1.00 74.15 C ATOM 554 OE1 GLU A 36 12.903 -4.738 -12.930 1.00 71.35 O ATOM 555 OE2 GLU A 36 12.148 -4.531 -10.877 1.00 3.12 O ATOM 0 H GLU A 36 14.491 -0.976 -10.409 1.00 23.15 H new ATOM 0 HA GLU A 36 16.461 -1.283 -12.241 1.00 74.31 H new ATOM 0 HB2 GLU A 36 14.905 -3.124 -13.193 1.00 4.02 H new ATOM 0 HB3 GLU A 36 15.389 -3.232 -11.513 1.00 4.02 H new ATOM 0 HG2 GLU A 36 13.246 -2.314 -10.782 1.00 61.34 H new ATOM 0 HG3 GLU A 36 12.762 -2.025 -12.442 1.00 61.34 H new ATOM 562 N ALA A 37 15.985 -0.246 -14.425 1.00 75.32 N ATOM 563 CA ALA A 37 15.746 0.379 -15.720 1.00 44.21 C ATOM 564 C ALA A 37 14.805 1.572 -15.589 1.00 24.11 C ATOM 565 O ALA A 37 14.504 2.019 -14.483 1.00 21.41 O ATOM 566 CB ALA A 37 15.180 -0.637 -16.701 1.00 2.12 C ATOM 0 H ALA A 37 16.969 -0.397 -14.204 1.00 75.32 H new ATOM 0 HA ALA A 37 16.700 0.743 -16.101 1.00 44.21 H new ATOM 0 HB1 ALA A 37 15.007 -0.156 -17.664 1.00 2.12 H new ATOM 0 HB2 ALA A 37 15.889 -1.455 -16.827 1.00 2.12 H new ATOM 0 HB3 ALA A 37 14.238 -1.029 -16.316 1.00 2.12 H new ATOM 572 N GLY A 38 14.344 2.084 -16.726 1.00 45.30 N ATOM 573 CA GLY A 38 13.443 3.222 -16.716 1.00 21.44 C ATOM 574 C GLY A 38 12.120 2.907 -16.047 1.00 32.53 C ATOM 575 O GLY A 38 11.435 3.804 -15.558 1.00 32.21 O ATOM 0 H GLY A 38 14.578 1.731 -17.654 1.00 45.30 H new ATOM 0 HA2 GLY A 38 13.920 4.054 -16.198 1.00 21.44 H new ATOM 0 HA3 GLY A 38 13.261 3.546 -17.741 1.00 21.44 H new ATOM 579 N ASN A 39 11.759 1.628 -16.026 1.00 74.44 N ATOM 580 CA ASN A 39 10.507 1.197 -15.415 1.00 32.45 C ATOM 581 C ASN A 39 10.370 1.758 -14.002 1.00 62.43 C ATOM 582 O ASN A 39 11.331 2.279 -13.435 1.00 53.44 O ATOM 583 CB ASN A 39 10.432 -0.331 -15.378 1.00 24.11 C ATOM 584 CG ASN A 39 10.864 -0.963 -16.687 1.00 40.44 C ATOM 585 OD1 ASN A 39 11.920 -1.590 -16.768 1.00 42.14 O ATOM 586 ND2 ASN A 39 10.046 -0.799 -17.721 1.00 4.31 N ATOM 0 H ASN A 39 12.316 0.872 -16.425 1.00 74.44 H new ATOM 0 HA ASN A 39 9.686 1.580 -16.021 1.00 32.45 H new ATOM 0 HB2 ASN A 39 11.064 -0.704 -14.572 1.00 24.11 H new ATOM 0 HB3 ASN A 39 9.411 -0.636 -15.150 1.00 24.11 H new ATOM 0 HD21 ASN A 39 10.284 -1.201 -18.628 1.00 4.31 H new ATOM 0 HD22 ASN A 39 9.180 -0.271 -17.608 1.00 4.31 H new ATOM 593 N ILE A 40 9.171 1.646 -13.441 1.00 23.44 N ATOM 594 CA ILE A 40 8.910 2.140 -12.095 1.00 32.15 C ATOM 595 C ILE A 40 8.162 1.103 -11.264 1.00 32.23 C ATOM 596 O ILE A 40 7.627 0.131 -11.799 1.00 23.12 O ATOM 597 CB ILE A 40 8.092 3.445 -12.123 1.00 24.00 C ATOM 598 CG1 ILE A 40 6.921 3.318 -13.099 1.00 63.34 C ATOM 599 CG2 ILE A 40 8.982 4.619 -12.504 1.00 71.23 C ATOM 600 CD1 ILE A 40 6.142 4.602 -13.279 1.00 31.32 C ATOM 0 H ILE A 40 8.365 1.218 -13.897 1.00 23.44 H new ATOM 0 HA ILE A 40 9.880 2.338 -11.638 1.00 32.15 H new ATOM 0 HB ILE A 40 7.691 3.627 -11.126 1.00 24.00 H new ATOM 0 HG12 ILE A 40 7.300 2.994 -14.068 1.00 63.34 H new ATOM 0 HG13 ILE A 40 6.246 2.540 -12.744 1.00 63.34 H new ATOM 0 HG21 ILE A 40 8.390 5.534 -12.520 1.00 71.23 H new ATOM 0 HG22 ILE A 40 9.785 4.719 -11.774 1.00 71.23 H new ATOM 0 HG23 ILE A 40 9.409 4.446 -13.492 1.00 71.23 H new ATOM 0 HD11 ILE A 40 5.327 4.437 -13.984 1.00 31.32 H new ATOM 0 HD12 ILE A 40 5.733 4.917 -12.319 1.00 31.32 H new ATOM 0 HD13 ILE A 40 6.804 5.378 -13.664 1.00 31.32 H new ATOM 612 N HIS A 41 8.126 1.317 -9.952 1.00 62.13 N ATOM 613 CA HIS A 41 7.441 0.402 -9.047 1.00 20.44 C ATOM 614 C HIS A 41 6.498 1.161 -8.118 1.00 71.41 C ATOM 615 O HIS A 41 6.756 2.309 -7.758 1.00 51.43 O ATOM 616 CB HIS A 41 8.457 -0.391 -8.224 1.00 1.03 C ATOM 617 CG HIS A 41 9.727 0.358 -7.958 1.00 32.44 C ATOM 618 ND1 HIS A 41 9.940 1.659 -7.654 1.00 22.50 N flip ATOM 619 CD2 HIS A 41 10.971 -0.235 -7.991 1.00 0.30 C flip ATOM 620 CE1 HIS A 41 11.295 1.827 -7.510 1.00 32.44 C flip ATOM 621 NE2 HIS A 41 11.895 0.669 -7.718 1.00 3.03 N flip ATOM 0 H HIS A 41 8.563 2.116 -9.493 1.00 62.13 H new ATOM 0 HA HIS A 41 6.852 -0.290 -9.648 1.00 20.44 H new ATOM 0 HB2 HIS A 41 8.003 -0.670 -7.273 1.00 1.03 H new ATOM 0 HB3 HIS A 41 8.694 -1.317 -8.748 1.00 1.03 H new ATOM 0 HD1 HIS A 41 9.227 2.381 -7.551 1.00 22.50 H new ATOM 0 HD2 HIS A 41 11.161 -1.276 -8.206 1.00 0.30 H new ATOM 0 HE1 HIS A 41 11.790 2.755 -7.266 1.00 32.44 H new ATOM 629 N PHE A 42 5.404 0.511 -7.734 1.00 52.33 N ATOM 630 CA PHE A 42 4.421 1.126 -6.849 1.00 61.41 C ATOM 631 C PHE A 42 4.619 0.659 -5.410 1.00 35.21 C ATOM 632 O PHE A 42 4.746 -0.537 -5.147 1.00 4.41 O ATOM 633 CB PHE A 42 3.003 0.791 -7.316 1.00 30.41 C ATOM 634 CG PHE A 42 2.523 1.658 -8.444 1.00 73.33 C ATOM 635 CD1 PHE A 42 3.399 2.086 -9.428 1.00 4.00 C ATOM 636 CD2 PHE A 42 1.195 2.045 -8.521 1.00 74.00 C ATOM 637 CE1 PHE A 42 2.961 2.884 -10.468 1.00 73.20 C ATOM 638 CE2 PHE A 42 0.750 2.842 -9.559 1.00 0.22 C ATOM 639 CZ PHE A 42 1.634 3.263 -10.533 1.00 3.22 C ATOM 0 H PHE A 42 5.176 -0.441 -8.021 1.00 52.33 H new ATOM 0 HA PHE A 42 4.561 2.206 -6.885 1.00 61.41 H new ATOM 0 HB2 PHE A 42 2.970 -0.252 -7.631 1.00 30.41 H new ATOM 0 HB3 PHE A 42 2.318 0.892 -6.474 1.00 30.41 H new ATOM 0 HD1 PHE A 42 4.437 1.792 -9.382 1.00 4.00 H new ATOM 0 HD2 PHE A 42 0.499 1.720 -7.761 1.00 74.00 H new ATOM 0 HE1 PHE A 42 3.655 3.211 -11.228 1.00 73.20 H new ATOM 0 HE2 PHE A 42 -0.288 3.135 -9.608 1.00 0.22 H new ATOM 0 HZ PHE A 42 1.289 3.887 -11.344 1.00 3.22 H new ATOM 649 N GLN A 43 4.643 1.611 -4.483 1.00 53.22 N ATOM 650 CA GLN A 43 4.826 1.298 -3.071 1.00 32.10 C ATOM 651 C GLN A 43 3.995 2.229 -2.195 1.00 12.24 C ATOM 652 O GLN A 43 3.735 3.375 -2.560 1.00 62.34 O ATOM 653 CB GLN A 43 6.304 1.404 -2.691 1.00 14.03 C ATOM 654 CG GLN A 43 6.901 0.095 -2.199 1.00 13.42 C ATOM 655 CD GLN A 43 8.393 0.004 -2.449 1.00 41.33 C ATOM 656 OE1 GLN A 43 8.802 0.253 -3.688 1.00 3.33 O flip ATOM 657 NE2 GLN A 43 9.170 -0.287 -1.540 1.00 11.00 N flip ATOM 0 H GLN A 43 4.538 2.605 -4.684 1.00 53.22 H new ATOM 0 HA GLN A 43 4.488 0.275 -2.905 1.00 32.10 H new ATOM 0 HB2 GLN A 43 6.869 1.749 -3.557 1.00 14.03 H new ATOM 0 HB3 GLN A 43 6.418 2.160 -1.914 1.00 14.03 H new ATOM 0 HG2 GLN A 43 6.708 -0.009 -1.131 1.00 13.42 H new ATOM 0 HG3 GLN A 43 6.402 -0.737 -2.696 1.00 13.42 H new ATOM 0 HE21 GLN A 43 8.812 -0.471 -0.603 1.00 11.00 H new ATOM 0 HE22 GLN A 43 10.172 -0.345 -1.724 1.00 11.00 H new ATOM 666 N GLY A 44 3.580 1.729 -1.035 1.00 33.23 N ATOM 667 CA GLY A 44 2.782 2.529 -0.125 1.00 13.35 C ATOM 668 C GLY A 44 2.110 1.693 0.946 1.00 33.03 C ATOM 669 O GLY A 44 2.382 0.499 1.073 1.00 74.21 O ATOM 0 H GLY A 44 3.782 0.784 -0.709 1.00 33.23 H new ATOM 0 HA2 GLY A 44 3.417 3.278 0.348 1.00 13.35 H new ATOM 0 HA3 GLY A 44 2.022 3.068 -0.691 1.00 13.35 H new ATOM 673 N TYR A 45 1.231 2.321 1.720 1.00 21.51 N ATOM 674 CA TYR A 45 0.521 1.627 2.788 1.00 4.25 C ATOM 675 C TYR A 45 -0.988 1.721 2.590 1.00 54.11 C ATOM 676 O TYR A 45 -1.530 2.804 2.365 1.00 22.10 O ATOM 677 CB TYR A 45 0.905 2.213 4.148 1.00 5.03 C ATOM 678 CG TYR A 45 0.422 3.631 4.355 1.00 22.32 C ATOM 679 CD1 TYR A 45 1.192 4.714 3.950 1.00 14.21 C ATOM 680 CD2 TYR A 45 -0.805 3.886 4.955 1.00 2.43 C ATOM 681 CE1 TYR A 45 0.754 6.011 4.138 1.00 62.00 C ATOM 682 CE2 TYR A 45 -1.251 5.180 5.146 1.00 61.11 C ATOM 683 CZ TYR A 45 -0.468 6.239 4.736 1.00 23.30 C ATOM 684 OH TYR A 45 -0.908 7.529 4.924 1.00 64.03 O ATOM 0 H TYR A 45 0.993 3.309 1.628 1.00 21.51 H new ATOM 0 HA TYR A 45 0.808 0.576 2.758 1.00 4.25 H new ATOM 0 HB2 TYR A 45 0.496 1.580 4.935 1.00 5.03 H new ATOM 0 HB3 TYR A 45 1.990 2.189 4.251 1.00 5.03 H new ATOM 0 HD1 TYR A 45 2.149 4.539 3.480 1.00 14.21 H new ATOM 0 HD2 TYR A 45 -1.420 3.059 5.277 1.00 2.43 H new ATOM 0 HE1 TYR A 45 1.365 6.842 3.818 1.00 62.00 H new ATOM 0 HE2 TYR A 45 -2.207 5.361 5.614 1.00 61.11 H new ATOM 0 HH TYR A 45 -1.787 7.515 5.357 1.00 64.03 H new ATOM 694 N ILE A 46 -1.662 0.579 2.675 1.00 22.24 N ATOM 695 CA ILE A 46 -3.109 0.531 2.507 1.00 1.32 C ATOM 696 C ILE A 46 -3.783 -0.099 3.721 1.00 20.20 C ATOM 697 O ILE A 46 -3.420 -1.196 4.144 1.00 31.21 O ATOM 698 CB ILE A 46 -3.503 -0.260 1.246 1.00 13.02 C ATOM 699 CG1 ILE A 46 -2.940 0.418 -0.005 1.00 34.13 C ATOM 700 CG2 ILE A 46 -5.017 -0.386 1.152 1.00 44.34 C ATOM 701 CD1 ILE A 46 -2.394 -0.556 -1.026 1.00 14.54 C ATOM 0 H ILE A 46 -1.229 -0.326 2.859 1.00 22.24 H new ATOM 0 HA ILE A 46 -3.449 1.561 2.400 1.00 1.32 H new ATOM 0 HB ILE A 46 -3.078 -1.261 1.315 1.00 13.02 H new ATOM 0 HG12 ILE A 46 -3.725 1.016 -0.469 1.00 34.13 H new ATOM 0 HG13 ILE A 46 -2.147 1.105 0.290 1.00 34.13 H new ATOM 0 HG21 ILE A 46 -5.280 -0.947 0.256 1.00 44.34 H new ATOM 0 HG22 ILE A 46 -5.394 -0.908 2.031 1.00 44.34 H new ATOM 0 HG23 ILE A 46 -5.462 0.608 1.102 1.00 44.34 H new ATOM 0 HD11 ILE A 46 -2.012 -0.006 -1.886 1.00 14.54 H new ATOM 0 HD12 ILE A 46 -1.587 -1.137 -0.579 1.00 14.54 H new ATOM 0 HD13 ILE A 46 -3.189 -1.228 -1.349 1.00 14.54 H new ATOM 713 N GLU A 47 -4.767 0.602 4.275 1.00 33.31 N ATOM 714 CA GLU A 47 -5.493 0.109 5.440 1.00 11.00 C ATOM 715 C GLU A 47 -6.852 -0.456 5.036 1.00 41.43 C ATOM 716 O GLU A 47 -7.698 0.259 4.500 1.00 52.32 O ATOM 717 CB GLU A 47 -5.679 1.230 6.465 1.00 42.24 C ATOM 718 CG GLU A 47 -4.374 1.732 7.061 1.00 55.12 C ATOM 719 CD GLU A 47 -4.008 1.018 8.348 1.00 55.33 C ATOM 720 OE1 GLU A 47 -4.491 -0.114 8.556 1.00 23.34 O ATOM 721 OE2 GLU A 47 -3.239 1.593 9.146 1.00 11.30 O ATOM 0 H GLU A 47 -5.080 1.512 3.937 1.00 33.31 H new ATOM 0 HA GLU A 47 -4.905 -0.691 5.890 1.00 11.00 H new ATOM 0 HB2 GLU A 47 -6.196 2.064 5.990 1.00 42.24 H new ATOM 0 HB3 GLU A 47 -6.322 0.873 7.269 1.00 42.24 H new ATOM 0 HG2 GLU A 47 -3.572 1.598 6.335 1.00 55.12 H new ATOM 0 HG3 GLU A 47 -4.455 2.802 7.254 1.00 55.12 H new ATOM 728 N MET A 48 -7.052 -1.743 5.296 1.00 32.32 N ATOM 729 CA MET A 48 -8.308 -2.404 4.960 1.00 20.32 C ATOM 730 C MET A 48 -9.376 -2.108 6.009 1.00 63.34 C ATOM 731 O MET A 48 -9.126 -1.393 6.979 1.00 12.11 O ATOM 732 CB MET A 48 -8.098 -3.915 4.842 1.00 71.14 C ATOM 733 CG MET A 48 -7.250 -4.319 3.646 1.00 13.22 C ATOM 734 SD MET A 48 -8.173 -5.284 2.435 1.00 60.14 S ATOM 735 CE MET A 48 -8.760 -3.989 1.346 1.00 41.23 C ATOM 0 H MET A 48 -6.361 -2.349 5.738 1.00 32.32 H new ATOM 0 HA MET A 48 -8.649 -2.015 4.000 1.00 20.32 H new ATOM 0 HB2 MET A 48 -7.624 -4.280 5.753 1.00 71.14 H new ATOM 0 HB3 MET A 48 -9.069 -4.404 4.770 1.00 71.14 H new ATOM 0 HG2 MET A 48 -6.855 -3.423 3.166 1.00 13.22 H new ATOM 0 HG3 MET A 48 -6.394 -4.899 3.991 1.00 13.22 H new ATOM 0 HE1 MET A 48 -8.728 -4.339 0.314 1.00 41.23 H new ATOM 0 HE2 MET A 48 -9.785 -3.729 1.609 1.00 41.23 H new ATOM 0 HE3 MET A 48 -8.125 -3.110 1.451 1.00 41.23 H new ATOM 745 N LYS A 49 -10.566 -2.662 5.807 1.00 73.52 N ATOM 746 CA LYS A 49 -11.673 -2.459 6.735 1.00 65.23 C ATOM 747 C LYS A 49 -11.259 -2.812 8.160 1.00 51.11 C ATOM 748 O LYS A 49 -11.315 -1.973 9.059 1.00 10.04 O ATOM 749 CB LYS A 49 -12.877 -3.306 6.318 1.00 52.25 C ATOM 750 CG LYS A 49 -14.188 -2.538 6.313 1.00 21.22 C ATOM 751 CD LYS A 49 -15.295 -3.330 5.638 1.00 14.42 C ATOM 752 CE LYS A 49 -16.120 -2.453 4.708 1.00 3.20 C ATOM 753 NZ LYS A 49 -17.134 -1.656 5.452 1.00 52.54 N ATOM 0 H LYS A 49 -10.789 -3.256 5.008 1.00 73.52 H new ATOM 0 HA LYS A 49 -11.950 -1.405 6.706 1.00 65.23 H new ATOM 0 HB2 LYS A 49 -12.699 -3.710 5.322 1.00 52.25 H new ATOM 0 HB3 LYS A 49 -12.966 -4.155 6.996 1.00 52.25 H new ATOM 0 HG2 LYS A 49 -14.478 -2.305 7.338 1.00 21.22 H new ATOM 0 HG3 LYS A 49 -14.052 -1.588 5.797 1.00 21.22 H new ATOM 0 HD2 LYS A 49 -14.861 -4.155 5.072 1.00 14.42 H new ATOM 0 HD3 LYS A 49 -15.944 -3.770 6.396 1.00 14.42 H new ATOM 0 HE2 LYS A 49 -15.459 -1.780 4.162 1.00 3.20 H new ATOM 0 HE3 LYS A 49 -16.621 -3.078 3.968 1.00 3.20 H new ATOM 0 HZ1 LYS A 49 -17.675 -1.072 4.783 1.00 52.54 H new ATOM 0 HZ2 LYS A 49 -17.781 -2.298 5.953 1.00 52.54 H new ATOM 0 HZ3 LYS A 49 -16.655 -1.041 6.140 1.00 52.54 H new ATOM 767 N LYS A 50 -10.843 -4.058 8.359 1.00 5.21 N ATOM 768 CA LYS A 50 -10.416 -4.522 9.674 1.00 14.41 C ATOM 769 C LYS A 50 -10.010 -5.991 9.627 1.00 33.15 C ATOM 770 O LYS A 50 -8.825 -6.319 9.677 1.00 44.11 O ATOM 771 CB LYS A 50 -11.539 -4.324 10.696 1.00 44.23 C ATOM 772 CG LYS A 50 -11.222 -3.280 11.753 1.00 63.40 C ATOM 773 CD LYS A 50 -12.450 -2.930 12.576 1.00 41.40 C ATOM 774 CE LYS A 50 -12.607 -1.425 12.729 1.00 0.52 C ATOM 775 NZ LYS A 50 -13.525 -0.855 11.704 1.00 31.41 N ATOM 0 H LYS A 50 -10.792 -4.765 7.626 1.00 5.21 H new ATOM 0 HA LYS A 50 -9.550 -3.934 9.976 1.00 14.41 H new ATOM 0 HB2 LYS A 50 -12.449 -4.033 10.171 1.00 44.23 H new ATOM 0 HB3 LYS A 50 -11.744 -5.275 11.187 1.00 44.23 H new ATOM 0 HG2 LYS A 50 -10.437 -3.653 12.410 1.00 63.40 H new ATOM 0 HG3 LYS A 50 -10.836 -2.381 11.273 1.00 63.40 H new ATOM 0 HD2 LYS A 50 -13.339 -3.343 12.099 1.00 41.40 H new ATOM 0 HD3 LYS A 50 -12.373 -3.391 13.561 1.00 41.40 H new ATOM 0 HE2 LYS A 50 -12.989 -1.199 13.724 1.00 0.52 H new ATOM 0 HE3 LYS A 50 -11.630 -0.948 12.647 1.00 0.52 H new ATOM 0 HZ1 LYS A 50 -13.605 0.173 11.843 1.00 31.41 H new ATOM 0 HZ2 LYS A 50 -13.148 -1.048 10.754 1.00 31.41 H new ATOM 0 HZ3 LYS A 50 -14.464 -1.291 11.798 1.00 31.41 H new ATOM 789 N ARG A 51 -11.001 -6.871 9.531 1.00 72.43 N ATOM 790 CA ARG A 51 -10.746 -8.306 9.477 1.00 52.10 C ATOM 791 C ARG A 51 -10.559 -8.771 8.036 1.00 73.22 C ATOM 792 O ARG A 51 -11.170 -9.749 7.603 1.00 70.11 O ATOM 793 CB ARG A 51 -11.898 -9.075 10.127 1.00 2.21 C ATOM 794 CG ARG A 51 -11.471 -10.386 10.765 1.00 23.54 C ATOM 795 CD ARG A 51 -12.396 -10.778 11.907 1.00 53.12 C ATOM 796 NE ARG A 51 -12.017 -12.055 12.505 1.00 11.14 N ATOM 797 CZ ARG A 51 -12.453 -12.469 13.690 1.00 62.51 C ATOM 798 NH1 ARG A 51 -13.279 -11.712 14.398 1.00 4.14 N ATOM 799 NH2 ARG A 51 -12.063 -13.644 14.168 1.00 62.45 N ATOM 0 H ARG A 51 -11.988 -6.616 9.489 1.00 72.43 H new ATOM 0 HA ARG A 51 -9.827 -8.507 10.028 1.00 52.10 H new ATOM 0 HB2 ARG A 51 -12.361 -8.445 10.886 1.00 2.21 H new ATOM 0 HB3 ARG A 51 -12.659 -9.278 9.374 1.00 2.21 H new ATOM 0 HG2 ARG A 51 -11.467 -11.174 10.012 1.00 23.54 H new ATOM 0 HG3 ARG A 51 -10.450 -10.295 11.137 1.00 23.54 H new ATOM 0 HD2 ARG A 51 -12.378 -10.001 12.671 1.00 53.12 H new ATOM 0 HD3 ARG A 51 -13.420 -10.840 11.539 1.00 53.12 H new ATOM 0 HE ARG A 51 -11.383 -12.662 11.985 1.00 11.14 H new ATOM 0 HH11 ARG A 51 -13.582 -10.809 14.034 1.00 4.14 H new ATOM 0 HH12 ARG A 51 -13.612 -12.033 15.307 1.00 4.14 H new ATOM 0 HH21 ARG A 51 -11.428 -14.230 13.626 1.00 62.45 H new ATOM 0 HH22 ARG A 51 -12.398 -13.961 15.078 1.00 62.45 H new ATOM 813 N THR A 52 -9.711 -8.064 7.296 1.00 1.31 N ATOM 814 CA THR A 52 -9.445 -8.402 5.904 1.00 64.41 C ATOM 815 C THR A 52 -8.030 -8.943 5.730 1.00 2.44 C ATOM 816 O THR A 52 -7.051 -8.231 5.958 1.00 72.31 O ATOM 817 CB THR A 52 -9.632 -7.182 4.983 1.00 54.00 C ATOM 818 OG1 THR A 52 -10.395 -6.174 5.655 1.00 1.44 O ATOM 819 CG2 THR A 52 -10.334 -7.580 3.693 1.00 34.14 C ATOM 0 H THR A 52 -9.196 -7.253 7.638 1.00 1.31 H new ATOM 0 HA THR A 52 -10.163 -9.173 5.624 1.00 64.41 H new ATOM 0 HB THR A 52 -8.647 -6.787 4.735 1.00 54.00 H new ATOM 0 HG1 THR A 52 -10.906 -5.658 4.997 1.00 1.44 H new ATOM 0 HG21 THR A 52 -10.455 -6.702 3.059 1.00 34.14 H new ATOM 0 HG22 THR A 52 -9.737 -8.327 3.169 1.00 34.14 H new ATOM 0 HG23 THR A 52 -11.314 -7.997 3.926 1.00 34.14 H new ATOM 827 N SER A 53 -7.929 -10.205 5.325 1.00 4.44 N ATOM 828 CA SER A 53 -6.632 -10.841 5.124 1.00 33.32 C ATOM 829 C SER A 53 -6.001 -10.386 3.812 1.00 10.42 C ATOM 830 O SER A 53 -6.583 -9.590 3.073 1.00 63.31 O ATOM 831 CB SER A 53 -6.782 -12.364 5.130 1.00 41.23 C ATOM 832 OG SER A 53 -8.004 -12.758 4.530 1.00 22.44 O ATOM 0 H SER A 53 -8.729 -10.807 5.130 1.00 4.44 H new ATOM 0 HA SER A 53 -5.978 -10.544 5.943 1.00 33.32 H new ATOM 0 HB2 SER A 53 -5.948 -12.817 4.595 1.00 41.23 H new ATOM 0 HB3 SER A 53 -6.741 -12.733 6.155 1.00 41.23 H new ATOM 0 HG SER A 53 -8.075 -13.735 4.545 1.00 22.44 H new ATOM 838 N LEU A 54 -4.807 -10.895 3.529 1.00 12.03 N ATOM 839 CA LEU A 54 -4.095 -10.541 2.306 1.00 22.43 C ATOM 840 C LEU A 54 -4.972 -10.771 1.080 1.00 63.45 C ATOM 841 O LEU A 54 -4.844 -10.075 0.073 1.00 5.54 O ATOM 842 CB LEU A 54 -2.808 -11.359 2.188 1.00 63.42 C ATOM 843 CG LEU A 54 -1.926 -11.051 0.977 1.00 23.43 C ATOM 844 CD1 LEU A 54 -1.655 -9.558 0.880 1.00 54.01 C ATOM 845 CD2 LEU A 54 -0.619 -11.828 1.058 1.00 12.51 C ATOM 0 H LEU A 54 -4.312 -11.554 4.130 1.00 12.03 H new ATOM 0 HA LEU A 54 -3.842 -9.482 2.355 1.00 22.43 H new ATOM 0 HB2 LEU A 54 -2.218 -11.203 3.091 1.00 63.42 H new ATOM 0 HB3 LEU A 54 -3.074 -12.416 2.159 1.00 63.42 H new ATOM 0 HG LEU A 54 -2.456 -11.362 0.077 1.00 23.43 H new ATOM 0 HD11 LEU A 54 -1.026 -9.358 0.013 1.00 54.01 H new ATOM 0 HD12 LEU A 54 -2.599 -9.023 0.775 1.00 54.01 H new ATOM 0 HD13 LEU A 54 -1.146 -9.221 1.783 1.00 54.01 H new ATOM 0 HD21 LEU A 54 -0.004 -11.597 0.188 1.00 12.51 H new ATOM 0 HD22 LEU A 54 -0.085 -11.547 1.966 1.00 12.51 H new ATOM 0 HD23 LEU A 54 -0.832 -12.897 1.078 1.00 12.51 H new ATOM 857 N ALA A 55 -5.864 -11.752 1.172 1.00 61.03 N ATOM 858 CA ALA A 55 -6.765 -12.071 0.071 1.00 1.13 C ATOM 859 C ALA A 55 -7.544 -10.838 -0.375 1.00 61.42 C ATOM 860 O ALA A 55 -7.892 -10.703 -1.547 1.00 73.13 O ATOM 861 CB ALA A 55 -7.721 -13.183 0.477 1.00 65.30 C ATOM 0 H ALA A 55 -5.982 -12.339 1.997 1.00 61.03 H new ATOM 0 HA ALA A 55 -6.163 -12.413 -0.771 1.00 1.13 H new ATOM 0 HB1 ALA A 55 -8.388 -13.411 -0.354 1.00 65.30 H new ATOM 0 HB2 ALA A 55 -7.152 -14.074 0.740 1.00 65.30 H new ATOM 0 HB3 ALA A 55 -8.309 -12.861 1.336 1.00 65.30 H new ATOM 867 N GLY A 56 -7.815 -9.941 0.568 1.00 21.20 N ATOM 868 CA GLY A 56 -8.552 -8.732 0.252 1.00 41.24 C ATOM 869 C GLY A 56 -7.744 -7.764 -0.591 1.00 34.42 C ATOM 870 O GLY A 56 -8.236 -7.243 -1.591 1.00 63.15 O ATOM 0 H GLY A 56 -7.537 -10.030 1.545 1.00 21.20 H new ATOM 0 HA2 GLY A 56 -9.466 -8.996 -0.279 1.00 41.24 H new ATOM 0 HA3 GLY A 56 -8.852 -8.240 1.178 1.00 41.24 H new ATOM 874 N MET A 57 -6.502 -7.523 -0.185 1.00 14.45 N ATOM 875 CA MET A 57 -5.625 -6.610 -0.910 1.00 35.44 C ATOM 876 C MET A 57 -5.163 -7.231 -2.224 1.00 41.21 C ATOM 877 O MET A 57 -5.197 -6.586 -3.273 1.00 24.33 O ATOM 878 CB MET A 57 -4.414 -6.244 -0.051 1.00 44.50 C ATOM 879 CG MET A 57 -4.764 -5.408 1.169 1.00 10.33 C ATOM 880 SD MET A 57 -5.429 -3.789 0.735 1.00 50.02 S ATOM 881 CE MET A 57 -4.141 -3.173 -0.346 1.00 4.40 C ATOM 0 H MET A 57 -6.080 -7.947 0.641 1.00 14.45 H new ATOM 0 HA MET A 57 -6.188 -5.704 -1.135 1.00 35.44 H new ATOM 0 HB2 MET A 57 -3.921 -7.159 0.276 1.00 44.50 H new ATOM 0 HB3 MET A 57 -3.697 -5.696 -0.663 1.00 44.50 H new ATOM 0 HG2 MET A 57 -5.493 -5.945 1.776 1.00 10.33 H new ATOM 0 HG3 MET A 57 -3.873 -5.278 1.783 1.00 10.33 H new ATOM 0 HE1 MET A 57 -4.455 -2.224 -0.782 1.00 4.40 H new ATOM 0 HE2 MET A 57 -3.226 -3.024 0.227 1.00 4.40 H new ATOM 0 HE3 MET A 57 -3.958 -3.895 -1.142 1.00 4.40 H new ATOM 891 N LYS A 58 -4.731 -8.486 -2.161 1.00 43.32 N ATOM 892 CA LYS A 58 -4.262 -9.194 -3.346 1.00 61.31 C ATOM 893 C LYS A 58 -5.312 -9.159 -4.452 1.00 44.21 C ATOM 894 O LYS A 58 -4.979 -9.146 -5.638 1.00 35.34 O ATOM 895 CB LYS A 58 -3.922 -10.645 -2.997 1.00 33.11 C ATOM 896 CG LYS A 58 -2.742 -11.198 -3.777 1.00 75.41 C ATOM 897 CD LYS A 58 -1.674 -11.756 -2.852 1.00 33.43 C ATOM 898 CE LYS A 58 -2.213 -12.898 -2.003 1.00 12.53 C ATOM 899 NZ LYS A 58 -2.669 -14.043 -2.838 1.00 24.31 N ATOM 0 H LYS A 58 -4.696 -9.034 -1.301 1.00 43.32 H new ATOM 0 HA LYS A 58 -3.363 -8.693 -3.706 1.00 61.31 H new ATOM 0 HB2 LYS A 58 -3.706 -10.712 -1.931 1.00 33.11 H new ATOM 0 HB3 LYS A 58 -4.796 -11.269 -3.185 1.00 33.11 H new ATOM 0 HG2 LYS A 58 -3.086 -11.982 -4.452 1.00 75.41 H new ATOM 0 HG3 LYS A 58 -2.313 -10.410 -4.396 1.00 75.41 H new ATOM 0 HD2 LYS A 58 -0.828 -12.108 -3.442 1.00 33.43 H new ATOM 0 HD3 LYS A 58 -1.302 -10.963 -2.203 1.00 33.43 H new ATOM 0 HE2 LYS A 58 -1.438 -13.236 -1.315 1.00 12.53 H new ATOM 0 HE3 LYS A 58 -3.043 -12.538 -1.396 1.00 12.53 H new ATOM 0 HZ1 LYS A 58 -2.853 -14.865 -2.229 1.00 24.31 H new ATOM 0 HZ2 LYS A 58 -3.542 -13.781 -3.339 1.00 24.31 H new ATOM 0 HZ3 LYS A 58 -1.931 -14.283 -3.530 1.00 24.31 H new ATOM 913 N LYS A 59 -6.580 -9.141 -4.057 1.00 72.42 N ATOM 914 CA LYS A 59 -7.680 -9.104 -5.014 1.00 65.33 C ATOM 915 C LYS A 59 -7.571 -7.882 -5.920 1.00 54.30 C ATOM 916 O LYS A 59 -7.972 -7.921 -7.084 1.00 72.31 O ATOM 917 CB LYS A 59 -9.022 -9.091 -4.280 1.00 11.01 C ATOM 918 CG LYS A 59 -10.221 -9.243 -5.201 1.00 5.04 C ATOM 919 CD LYS A 59 -11.529 -9.106 -4.440 1.00 42.11 C ATOM 920 CE LYS A 59 -12.625 -8.520 -5.317 1.00 44.32 C ATOM 921 NZ LYS A 59 -13.878 -8.277 -4.551 1.00 31.02 N ATOM 0 H LYS A 59 -6.872 -9.151 -3.080 1.00 72.42 H new ATOM 0 HA LYS A 59 -7.621 -9.999 -5.633 1.00 65.33 H new ATOM 0 HB2 LYS A 59 -9.033 -9.897 -3.547 1.00 11.01 H new ATOM 0 HB3 LYS A 59 -9.115 -8.156 -3.727 1.00 11.01 H new ATOM 0 HG2 LYS A 59 -10.175 -8.489 -5.987 1.00 5.04 H new ATOM 0 HG3 LYS A 59 -10.184 -10.216 -5.691 1.00 5.04 H new ATOM 0 HD2 LYS A 59 -11.840 -10.083 -4.071 1.00 42.11 H new ATOM 0 HD3 LYS A 59 -11.379 -8.469 -3.568 1.00 42.11 H new ATOM 0 HE2 LYS A 59 -12.279 -7.583 -5.753 1.00 44.32 H new ATOM 0 HE3 LYS A 59 -12.831 -9.200 -6.144 1.00 44.32 H new ATOM 0 HZ1 LYS A 59 -14.600 -7.878 -5.184 1.00 31.02 H new ATOM 0 HZ2 LYS A 59 -14.223 -9.175 -4.156 1.00 31.02 H new ATOM 0 HZ3 LYS A 59 -13.688 -7.608 -3.777 1.00 31.02 H new ATOM 935 N LEU A 60 -7.027 -6.797 -5.380 1.00 24.33 N ATOM 936 CA LEU A 60 -6.864 -5.563 -6.140 1.00 11.20 C ATOM 937 C LEU A 60 -5.638 -5.638 -7.044 1.00 52.34 C ATOM 938 O LEU A 60 -5.666 -5.171 -8.183 1.00 43.44 O ATOM 939 CB LEU A 60 -6.740 -4.369 -5.191 1.00 73.15 C ATOM 940 CG LEU A 60 -8.007 -3.986 -4.425 1.00 70.34 C ATOM 941 CD1 LEU A 60 -8.194 -4.890 -3.217 1.00 23.31 C ATOM 942 CD2 LEU A 60 -7.951 -2.527 -3.998 1.00 54.34 C ATOM 0 H LEU A 60 -6.691 -6.747 -4.418 1.00 24.33 H new ATOM 0 HA LEU A 60 -7.747 -5.432 -6.766 1.00 11.20 H new ATOM 0 HB2 LEU A 60 -5.954 -4.585 -4.468 1.00 73.15 H new ATOM 0 HB3 LEU A 60 -6.413 -3.504 -5.768 1.00 73.15 H new ATOM 0 HG LEU A 60 -8.863 -4.117 -5.087 1.00 70.34 H new ATOM 0 HD11 LEU A 60 -9.100 -4.603 -2.684 1.00 23.31 H new ATOM 0 HD12 LEU A 60 -8.280 -5.925 -3.547 1.00 23.31 H new ATOM 0 HD13 LEU A 60 -7.336 -4.791 -2.552 1.00 23.31 H new ATOM 0 HD21 LEU A 60 -8.861 -2.272 -3.454 1.00 54.34 H new ATOM 0 HD22 LEU A 60 -7.086 -2.370 -3.353 1.00 54.34 H new ATOM 0 HD23 LEU A 60 -7.866 -1.893 -4.880 1.00 54.34 H new ATOM 954 N ILE A 61 -4.565 -6.230 -6.530 1.00 54.43 N ATOM 955 CA ILE A 61 -3.331 -6.368 -7.293 1.00 20.31 C ATOM 956 C ILE A 61 -2.702 -7.740 -7.075 1.00 63.24 C ATOM 957 O ILE A 61 -1.720 -7.892 -6.348 1.00 71.30 O ATOM 958 CB ILE A 61 -2.309 -5.281 -6.912 1.00 62.02 C ATOM 959 CG1 ILE A 61 -2.911 -3.890 -7.117 1.00 54.42 C ATOM 960 CG2 ILE A 61 -1.037 -5.439 -7.732 1.00 30.40 C ATOM 961 CD1 ILE A 61 -3.407 -3.252 -5.838 1.00 52.54 C ATOM 0 H ILE A 61 -4.526 -6.621 -5.589 1.00 54.43 H new ATOM 0 HA ILE A 61 -3.595 -6.254 -8.344 1.00 20.31 H new ATOM 0 HB ILE A 61 -2.056 -5.395 -5.858 1.00 62.02 H new ATOM 0 HG12 ILE A 61 -2.161 -3.242 -7.570 1.00 54.42 H new ATOM 0 HG13 ILE A 61 -3.739 -3.961 -7.823 1.00 54.42 H new ATOM 0 HG21 ILE A 61 -0.324 -4.663 -7.451 1.00 30.40 H new ATOM 0 HG22 ILE A 61 -0.600 -6.419 -7.541 1.00 30.40 H new ATOM 0 HG23 ILE A 61 -1.274 -5.348 -8.792 1.00 30.40 H new ATOM 0 HD11 ILE A 61 -3.821 -2.268 -6.059 1.00 52.54 H new ATOM 0 HD12 ILE A 61 -4.180 -3.879 -5.394 1.00 52.54 H new ATOM 0 HD13 ILE A 61 -2.578 -3.148 -5.138 1.00 52.54 H new ATOM 973 N PRO A 62 -3.278 -8.765 -7.722 1.00 2.40 N ATOM 974 CA PRO A 62 -2.789 -10.142 -7.617 1.00 65.51 C ATOM 975 C PRO A 62 -1.443 -10.334 -8.309 1.00 74.31 C ATOM 976 O PRO A 62 -1.376 -10.467 -9.530 1.00 41.43 O ATOM 977 CB PRO A 62 -3.874 -10.959 -8.323 1.00 11.03 C ATOM 978 CG PRO A 62 -4.510 -10.003 -9.272 1.00 32.20 C ATOM 979 CD PRO A 62 -4.451 -8.656 -8.606 1.00 23.43 C ATOM 0 HA PRO A 62 -2.621 -10.436 -6.581 1.00 65.51 H new ATOM 0 HB2 PRO A 62 -3.447 -11.814 -8.848 1.00 11.03 H new ATOM 0 HB3 PRO A 62 -4.600 -11.352 -7.611 1.00 11.03 H new ATOM 0 HG2 PRO A 62 -3.982 -9.990 -10.225 1.00 32.20 H new ATOM 0 HG3 PRO A 62 -5.540 -10.289 -9.482 1.00 32.20 H new ATOM 0 HD2 PRO A 62 -4.333 -7.853 -9.333 1.00 23.43 H new ATOM 0 HD3 PRO A 62 -5.360 -8.446 -8.043 1.00 23.43 H new ATOM 987 N GLY A 63 -0.373 -10.349 -7.520 1.00 14.33 N ATOM 988 CA GLY A 63 0.956 -10.525 -8.075 1.00 33.20 C ATOM 989 C GLY A 63 1.933 -9.474 -7.586 1.00 75.22 C ATOM 990 O GLY A 63 2.418 -8.657 -8.368 1.00 24.50 O ATOM 0 H GLY A 63 -0.403 -10.242 -6.506 1.00 14.33 H new ATOM 0 HA2 GLY A 63 1.329 -11.514 -7.810 1.00 33.20 H new ATOM 0 HA3 GLY A 63 0.900 -10.486 -9.163 1.00 33.20 H new ATOM 994 N ALA A 64 2.220 -9.493 -6.289 1.00 32.43 N ATOM 995 CA ALA A 64 3.145 -8.535 -5.697 1.00 22.30 C ATOM 996 C ALA A 64 3.539 -8.953 -4.284 1.00 51.12 C ATOM 997 O ALA A 64 3.009 -9.924 -3.743 1.00 24.02 O ATOM 998 CB ALA A 64 2.529 -7.144 -5.686 1.00 31.23 C ATOM 0 H ALA A 64 1.825 -10.162 -5.628 1.00 32.43 H new ATOM 0 HA ALA A 64 4.048 -8.515 -6.307 1.00 22.30 H new ATOM 0 HB1 ALA A 64 3.231 -6.439 -5.241 1.00 31.23 H new ATOM 0 HB2 ALA A 64 2.305 -6.837 -6.708 1.00 31.23 H new ATOM 0 HB3 ALA A 64 1.609 -7.158 -5.101 1.00 31.23 H new ATOM 1004 N HIS A 65 4.472 -8.214 -3.692 1.00 32.11 N ATOM 1005 CA HIS A 65 4.937 -8.508 -2.341 1.00 74.40 C ATOM 1006 C HIS A 65 4.167 -7.687 -1.311 1.00 21.22 C ATOM 1007 O HIS A 65 4.252 -6.459 -1.292 1.00 72.11 O ATOM 1008 CB HIS A 65 6.434 -8.225 -2.221 1.00 42.31 C ATOM 1009 CG HIS A 65 7.086 -8.923 -1.067 1.00 55.13 C ATOM 1010 ND1 HIS A 65 8.452 -9.071 -0.951 1.00 54.20 N ATOM 1011 CD2 HIS A 65 6.550 -9.514 0.026 1.00 2.15 C ATOM 1012 CE1 HIS A 65 8.728 -9.724 0.163 1.00 22.23 C ATOM 1013 NE2 HIS A 65 7.592 -10.004 0.775 1.00 33.22 N ATOM 0 H HIS A 65 4.921 -7.408 -4.126 1.00 32.11 H new ATOM 0 HA HIS A 65 4.759 -9.565 -2.144 1.00 74.40 H new ATOM 0 HB2 HIS A 65 6.928 -8.528 -3.144 1.00 42.31 H new ATOM 0 HB3 HIS A 65 6.585 -7.151 -2.117 1.00 42.31 H new ATOM 0 HD2 HIS A 65 5.499 -9.587 0.265 1.00 2.15 H new ATOM 0 HE1 HIS A 65 9.715 -9.985 0.514 1.00 22.23 H new ATOM 0 HE2 HIS A 65 7.503 -10.503 1.660 1.00 33.22 H new ATOM 1021 N PHE A 66 3.416 -8.373 -0.456 1.00 22.34 N ATOM 1022 CA PHE A 66 2.630 -7.707 0.576 1.00 22.45 C ATOM 1023 C PHE A 66 3.155 -8.052 1.967 1.00 4.22 C ATOM 1024 O PHE A 66 3.836 -9.060 2.152 1.00 4.31 O ATOM 1025 CB PHE A 66 1.157 -8.106 0.462 1.00 3.32 C ATOM 1026 CG PHE A 66 0.322 -7.105 -0.285 1.00 20.35 C ATOM 1027 CD1 PHE A 66 0.299 -7.098 -1.670 1.00 24.22 C ATOM 1028 CD2 PHE A 66 -0.440 -6.172 0.399 1.00 12.40 C ATOM 1029 CE1 PHE A 66 -0.468 -6.179 -2.360 1.00 75.21 C ATOM 1030 CE2 PHE A 66 -1.210 -5.251 -0.286 1.00 12.43 C ATOM 1031 CZ PHE A 66 -1.223 -5.254 -1.667 1.00 14.41 C ATOM 0 H PHE A 66 3.335 -9.390 -0.457 1.00 22.34 H new ATOM 0 HA PHE A 66 2.721 -6.631 0.429 1.00 22.45 H new ATOM 0 HB2 PHE A 66 1.088 -9.071 -0.039 1.00 3.32 H new ATOM 0 HB3 PHE A 66 0.745 -8.236 1.463 1.00 3.32 H new ATOM 0 HD1 PHE A 66 0.888 -7.820 -2.217 1.00 24.22 H new ATOM 0 HD2 PHE A 66 -0.432 -6.164 1.479 1.00 12.40 H new ATOM 0 HE1 PHE A 66 -0.477 -6.184 -3.440 1.00 75.21 H new ATOM 0 HE2 PHE A 66 -1.801 -4.529 0.258 1.00 12.43 H new ATOM 0 HZ PHE A 66 -1.823 -4.534 -2.204 1.00 14.41 H new ATOM 1041 N GLU A 67 2.833 -7.206 2.941 1.00 24.10 N ATOM 1042 CA GLU A 67 3.274 -7.420 4.314 1.00 20.25 C ATOM 1043 C GLU A 67 2.196 -6.990 5.305 1.00 10.20 C ATOM 1044 O GLU A 67 1.820 -5.819 5.361 1.00 10.35 O ATOM 1045 CB GLU A 67 4.568 -6.649 4.585 1.00 54.03 C ATOM 1046 CG GLU A 67 5.810 -7.524 4.581 1.00 11.12 C ATOM 1047 CD GLU A 67 6.257 -7.908 5.978 1.00 11.14 C ATOM 1048 OE1 GLU A 67 5.406 -8.366 6.769 1.00 0.13 O ATOM 1049 OE2 GLU A 67 7.458 -7.750 6.280 1.00 25.54 O ATOM 0 H GLU A 67 2.269 -6.367 2.805 1.00 24.10 H new ATOM 0 HA GLU A 67 3.461 -8.486 4.446 1.00 20.25 H new ATOM 0 HB2 GLU A 67 4.681 -5.869 3.832 1.00 54.03 H new ATOM 0 HB3 GLU A 67 4.488 -6.150 5.551 1.00 54.03 H new ATOM 0 HG2 GLU A 67 5.611 -8.428 4.006 1.00 11.12 H new ATOM 0 HG3 GLU A 67 6.620 -6.997 4.076 1.00 11.12 H new ATOM 1056 N LYS A 68 1.702 -7.945 6.085 1.00 72.43 N ATOM 1057 CA LYS A 68 0.668 -7.668 7.074 1.00 14.33 C ATOM 1058 C LYS A 68 1.196 -7.883 8.489 1.00 42.22 C ATOM 1059 O LYS A 68 2.384 -8.143 8.685 1.00 55.21 O ATOM 1060 CB LYS A 68 -0.551 -8.561 6.833 1.00 54.13 C ATOM 1061 CG LYS A 68 -0.284 -9.708 5.874 1.00 73.13 C ATOM 1062 CD LYS A 68 -1.381 -10.758 5.941 1.00 40.32 C ATOM 1063 CE LYS A 68 -0.804 -12.163 6.017 1.00 43.12 C ATOM 1064 NZ LYS A 68 -1.849 -13.204 5.814 1.00 52.34 N ATOM 0 H LYS A 68 2.002 -8.919 6.051 1.00 72.43 H new ATOM 0 HA LYS A 68 0.372 -6.624 6.970 1.00 14.33 H new ATOM 0 HB2 LYS A 68 -0.888 -8.967 7.787 1.00 54.13 H new ATOM 0 HB3 LYS A 68 -1.365 -7.952 6.440 1.00 54.13 H new ATOM 0 HG2 LYS A 68 -0.209 -9.323 4.857 1.00 73.13 H new ATOM 0 HG3 LYS A 68 0.675 -10.167 6.113 1.00 73.13 H new ATOM 0 HD2 LYS A 68 -2.009 -10.574 6.812 1.00 40.32 H new ATOM 0 HD3 LYS A 68 -2.021 -10.673 5.063 1.00 40.32 H new ATOM 0 HE2 LYS A 68 -0.026 -12.277 5.262 1.00 43.12 H new ATOM 0 HE3 LYS A 68 -0.330 -12.309 6.988 1.00 43.12 H new ATOM 0 HZ1 LYS A 68 -1.415 -14.147 5.873 1.00 52.34 H new ATOM 0 HZ2 LYS A 68 -2.579 -13.112 6.549 1.00 52.34 H new ATOM 0 HZ3 LYS A 68 -2.284 -13.081 4.877 1.00 52.34 H new ATOM 1078 N ARG A 69 0.307 -7.774 9.471 1.00 63.22 N ATOM 1079 CA ARG A 69 0.685 -7.957 10.867 1.00 60.30 C ATOM 1080 C ARG A 69 1.474 -6.756 11.379 1.00 43.22 C ATOM 1081 O ARG A 69 1.052 -6.076 12.314 1.00 54.42 O ATOM 1082 CB ARG A 69 1.514 -9.233 11.030 1.00 0.42 C ATOM 1083 CG ARG A 69 1.164 -10.031 12.275 1.00 71.51 C ATOM 1084 CD ARG A 69 2.155 -9.774 13.399 1.00 23.20 C ATOM 1085 NE ARG A 69 3.412 -10.491 13.195 1.00 14.54 N ATOM 1086 CZ ARG A 69 4.399 -10.510 14.084 1.00 34.32 C ATOM 1087 NH1 ARG A 69 4.275 -9.857 15.231 1.00 24.03 N ATOM 1088 NH2 ARG A 69 5.512 -11.185 13.826 1.00 33.14 N ATOM 0 H ARG A 69 -0.680 -7.560 9.326 1.00 63.22 H new ATOM 0 HA ARG A 69 -0.228 -8.047 11.456 1.00 60.30 H new ATOM 0 HB2 ARG A 69 1.371 -9.864 10.152 1.00 0.42 H new ATOM 0 HB3 ARG A 69 2.571 -8.968 11.064 1.00 0.42 H new ATOM 0 HG2 ARG A 69 0.160 -9.768 12.607 1.00 71.51 H new ATOM 0 HG3 ARG A 69 1.152 -11.094 12.035 1.00 71.51 H new ATOM 0 HD2 ARG A 69 2.355 -8.705 13.469 1.00 23.20 H new ATOM 0 HD3 ARG A 69 1.714 -10.078 14.348 1.00 23.20 H new ATOM 0 HE ARG A 69 3.538 -11.005 12.323 1.00 14.54 H new ATOM 0 HH11 ARG A 69 3.420 -9.338 15.433 1.00 24.03 H new ATOM 0 HH12 ARG A 69 5.034 -9.873 15.912 1.00 24.03 H new ATOM 0 HH21 ARG A 69 5.610 -11.689 12.945 1.00 33.14 H new ATOM 0 HH22 ARG A 69 6.270 -11.199 14.509 1.00 33.14 H new ATOM 1102 N ARG A 70 2.622 -6.501 10.760 1.00 65.52 N ATOM 1103 CA ARG A 70 3.472 -5.384 11.154 1.00 54.33 C ATOM 1104 C ARG A 70 4.751 -5.353 10.322 1.00 15.01 C ATOM 1105 O ARG A 70 5.802 -5.812 10.765 1.00 63.41 O ATOM 1106 CB ARG A 70 3.819 -5.479 12.640 1.00 25.14 C ATOM 1107 CG ARG A 70 3.112 -4.444 13.499 1.00 12.31 C ATOM 1108 CD ARG A 70 2.568 -5.059 14.779 1.00 24.02 C ATOM 1109 NE ARG A 70 3.620 -5.283 15.768 1.00 74.00 N ATOM 1110 CZ ARG A 70 3.461 -6.034 16.852 1.00 12.22 C ATOM 1111 NH1 ARG A 70 2.300 -6.630 17.086 1.00 72.05 N ATOM 1112 NH2 ARG A 70 4.465 -6.190 17.706 1.00 51.15 N ATOM 0 H ARG A 70 2.985 -7.053 9.983 1.00 65.52 H new ATOM 0 HA ARG A 70 2.921 -4.461 10.975 1.00 54.33 H new ATOM 0 HB2 ARG A 70 3.562 -6.475 13.001 1.00 25.14 H new ATOM 0 HB3 ARG A 70 4.896 -5.364 12.761 1.00 25.14 H new ATOM 0 HG2 ARG A 70 3.805 -3.640 13.747 1.00 12.31 H new ATOM 0 HG3 ARG A 70 2.295 -3.997 12.933 1.00 12.31 H new ATOM 0 HD2 ARG A 70 1.807 -4.403 15.201 1.00 24.02 H new ATOM 0 HD3 ARG A 70 2.080 -6.006 14.548 1.00 24.02 H new ATOM 0 HE ARG A 70 4.526 -4.839 15.618 1.00 74.00 H new ATOM 0 HH11 ARG A 70 1.526 -6.513 16.433 1.00 72.05 H new ATOM 0 HH12 ARG A 70 2.181 -7.206 17.919 1.00 72.05 H new ATOM 0 HH21 ARG A 70 5.360 -5.733 17.530 1.00 51.15 H new ATOM 0 HH22 ARG A 70 4.342 -6.767 18.538 1.00 51.15 H new ATOM 1126 N GLY A 71 4.651 -4.808 9.113 1.00 25.31 N ATOM 1127 CA GLY A 71 5.807 -4.728 8.239 1.00 72.55 C ATOM 1128 C GLY A 71 6.745 -3.601 8.619 1.00 3.41 C ATOM 1129 O GLY A 71 7.941 -3.651 8.328 1.00 73.54 O ATOM 0 H GLY A 71 3.791 -4.421 8.724 1.00 25.31 H new ATOM 0 HA2 GLY A 71 6.349 -5.673 8.271 1.00 72.55 H new ATOM 0 HA3 GLY A 71 5.472 -4.587 7.211 1.00 72.55 H new ATOM 1133 N THR A 72 6.204 -2.577 9.272 1.00 53.33 N ATOM 1134 CA THR A 72 7.000 -1.430 9.690 1.00 13.12 C ATOM 1135 C THR A 72 6.248 -0.581 10.709 1.00 52.13 C ATOM 1136 O THR A 72 6.511 0.613 10.850 1.00 63.14 O ATOM 1137 CB THR A 72 7.388 -0.547 8.489 1.00 14.11 C ATOM 1138 OG1 THR A 72 6.952 -1.159 7.270 1.00 24.31 O ATOM 1139 CG2 THR A 72 8.892 -0.327 8.443 1.00 41.41 C ATOM 0 H THR A 72 5.217 -2.519 9.523 1.00 53.33 H new ATOM 0 HA THR A 72 7.907 -1.825 10.148 1.00 13.12 H new ATOM 0 HB THR A 72 6.899 0.420 8.604 1.00 14.11 H new ATOM 0 HG1 THR A 72 7.201 -0.591 6.511 1.00 24.31 H new ATOM 0 HG21 THR A 72 9.142 0.299 7.587 1.00 41.41 H new ATOM 0 HG22 THR A 72 9.216 0.166 9.360 1.00 41.41 H new ATOM 0 HG23 THR A 72 9.398 -1.288 8.350 1.00 41.41 H new ATOM 1147 N GLN A 73 5.312 -1.205 11.417 1.00 53.25 N ATOM 1148 CA GLN A 73 4.522 -0.505 12.423 1.00 52.25 C ATOM 1149 C GLN A 73 3.939 0.786 11.856 1.00 25.01 C ATOM 1150 O GLN A 73 3.960 1.010 10.647 1.00 72.45 O ATOM 1151 CB GLN A 73 5.380 -0.195 13.651 1.00 72.35 C ATOM 1152 CG GLN A 73 6.231 -1.368 14.109 1.00 30.33 C ATOM 1153 CD GLN A 73 6.061 -1.671 15.585 1.00 11.20 C ATOM 1154 OE1 GLN A 73 5.766 -0.781 16.383 1.00 1.31 O ATOM 1155 NE2 GLN A 73 6.246 -2.932 15.956 1.00 22.32 N ATOM 0 H GLN A 73 5.082 -2.193 11.313 1.00 53.25 H new ATOM 0 HA GLN A 73 3.698 -1.155 12.719 1.00 52.25 H new ATOM 0 HB2 GLN A 73 6.031 0.650 13.425 1.00 72.35 H new ATOM 0 HB3 GLN A 73 4.730 0.113 14.470 1.00 72.35 H new ATOM 0 HG2 GLN A 73 5.968 -2.252 13.528 1.00 30.33 H new ATOM 0 HG3 GLN A 73 7.280 -1.153 13.905 1.00 30.33 H new ATOM 0 HE21 GLN A 73 6.490 -3.638 15.261 1.00 22.32 H new ATOM 0 HE22 GLN A 73 6.145 -3.195 16.936 1.00 22.32 H new ATOM 1164 N GLY A 74 3.420 1.633 12.740 1.00 51.04 N ATOM 1165 CA GLY A 74 2.839 2.891 12.308 1.00 34.23 C ATOM 1166 C GLY A 74 3.889 3.909 11.911 1.00 31.01 C ATOM 1167 O GLY A 74 3.561 4.992 11.427 1.00 34.35 O ATOM 0 H GLY A 74 3.392 1.471 13.747 1.00 51.04 H new ATOM 0 HA2 GLY A 74 2.175 2.710 11.463 1.00 34.23 H new ATOM 0 HA3 GLY A 74 2.227 3.300 13.112 1.00 34.23 H new ATOM 1171 N GLU A 75 5.156 3.562 12.117 1.00 35.32 N ATOM 1172 CA GLU A 75 6.257 4.456 11.779 1.00 33.31 C ATOM 1173 C GLU A 75 6.263 4.770 10.286 1.00 41.41 C ATOM 1174 O GLU A 75 6.743 5.822 9.865 1.00 50.34 O ATOM 1175 CB GLU A 75 7.593 3.831 12.186 1.00 42.15 C ATOM 1176 CG GLU A 75 8.536 4.805 12.872 1.00 21.33 C ATOM 1177 CD GLU A 75 9.876 4.180 13.209 1.00 43.05 C ATOM 1178 OE1 GLU A 75 9.886 3.098 13.833 1.00 10.40 O ATOM 1179 OE2 GLU A 75 10.915 4.772 12.848 1.00 53.12 O ATOM 0 H GLU A 75 5.445 2.669 12.516 1.00 35.32 H new ATOM 0 HA GLU A 75 6.118 5.387 12.328 1.00 33.31 H new ATOM 0 HB2 GLU A 75 7.403 2.991 12.854 1.00 42.15 H new ATOM 0 HB3 GLU A 75 8.082 3.429 11.299 1.00 42.15 H new ATOM 0 HG2 GLU A 75 8.694 5.668 12.225 1.00 21.33 H new ATOM 0 HG3 GLU A 75 8.070 5.173 13.786 1.00 21.33 H new ATOM 1186 N ALA A 76 5.727 3.850 9.491 1.00 63.01 N ATOM 1187 CA ALA A 76 5.670 4.029 8.045 1.00 34.15 C ATOM 1188 C ALA A 76 4.805 5.230 7.675 1.00 25.50 C ATOM 1189 O ALA A 76 4.861 5.722 6.548 1.00 2.22 O ATOM 1190 CB ALA A 76 5.139 2.769 7.378 1.00 22.54 C ATOM 0 H ALA A 76 5.326 2.973 9.824 1.00 63.01 H new ATOM 0 HA ALA A 76 6.682 4.218 7.686 1.00 34.15 H new ATOM 0 HB1 ALA A 76 5.102 2.917 6.299 1.00 22.54 H new ATOM 0 HB2 ALA A 76 5.797 1.931 7.607 1.00 22.54 H new ATOM 0 HB3 ALA A 76 4.137 2.555 7.750 1.00 22.54 H new ATOM 1196 N ARG A 77 4.007 5.695 8.630 1.00 51.11 N ATOM 1197 CA ARG A 77 3.129 6.837 8.403 1.00 45.04 C ATOM 1198 C ARG A 77 3.940 8.096 8.108 1.00 24.34 C ATOM 1199 O ARG A 77 3.446 9.032 7.482 1.00 14.42 O ATOM 1200 CB ARG A 77 2.233 7.068 9.620 1.00 15.31 C ATOM 1201 CG ARG A 77 1.170 5.998 9.806 1.00 74.13 C ATOM 1202 CD ARG A 77 -0.204 6.498 9.386 1.00 62.21 C ATOM 1203 NE ARG A 77 -0.790 7.390 10.383 1.00 43.14 N ATOM 1204 CZ ARG A 77 -1.389 6.964 11.489 1.00 71.33 C ATOM 1205 NH1 ARG A 77 -1.481 5.665 11.739 1.00 62.25 N ATOM 1206 NH2 ARG A 77 -1.898 7.837 12.348 1.00 1.50 N ATOM 0 H ARG A 77 3.950 5.299 9.568 1.00 51.11 H new ATOM 0 HA ARG A 77 2.504 6.617 7.537 1.00 45.04 H new ATOM 0 HB2 ARG A 77 2.854 7.111 10.515 1.00 15.31 H new ATOM 0 HB3 ARG A 77 1.746 8.039 9.523 1.00 15.31 H new ATOM 0 HG2 ARG A 77 1.433 5.117 9.220 1.00 74.13 H new ATOM 0 HG3 ARG A 77 1.142 5.689 10.851 1.00 74.13 H new ATOM 0 HD2 ARG A 77 -0.124 7.022 8.434 1.00 62.21 H new ATOM 0 HD3 ARG A 77 -0.866 5.647 9.227 1.00 62.21 H new ATOM 0 HE ARG A 77 -0.736 8.396 10.221 1.00 43.14 H new ATOM 0 HH11 ARG A 77 -1.091 4.990 11.081 1.00 62.25 H new ATOM 0 HH12 ARG A 77 -1.942 5.341 12.589 1.00 62.25 H new ATOM 0 HH21 ARG A 77 -1.830 8.837 12.160 1.00 1.50 H new ATOM 0 HH22 ARG A 77 -2.358 7.508 13.197 1.00 1.50 H new ATOM 1220 N ALA A 78 5.188 8.110 8.565 1.00 23.42 N ATOM 1221 CA ALA A 78 6.068 9.252 8.350 1.00 71.33 C ATOM 1222 C ALA A 78 7.005 9.008 7.172 1.00 42.32 C ATOM 1223 O ALA A 78 6.860 9.621 6.113 1.00 31.55 O ATOM 1224 CB ALA A 78 6.867 9.548 9.610 1.00 21.52 C ATOM 0 H ALA A 78 5.612 7.343 9.087 1.00 23.42 H new ATOM 0 HA ALA A 78 5.448 10.117 8.115 1.00 71.33 H new ATOM 0 HB1 ALA A 78 7.520 10.403 9.434 1.00 21.52 H new ATOM 0 HB2 ALA A 78 6.184 9.775 10.429 1.00 21.52 H new ATOM 0 HB3 ALA A 78 7.470 8.679 9.871 1.00 21.52 H new ATOM 1230 N TYR A 79 7.967 8.112 7.362 1.00 33.24 N ATOM 1231 CA TYR A 79 8.930 7.790 6.316 1.00 1.13 C ATOM 1232 C TYR A 79 8.223 7.302 5.056 1.00 52.44 C ATOM 1233 O TYR A 79 8.422 7.845 3.969 1.00 43.21 O ATOM 1234 CB TYR A 79 9.912 6.725 6.808 1.00 11.30 C ATOM 1235 CG TYR A 79 10.552 5.930 5.692 1.00 14.14 C ATOM 1236 CD1 TYR A 79 11.163 6.568 4.620 1.00 4.54 C ATOM 1237 CD2 TYR A 79 10.544 4.541 5.709 1.00 34.15 C ATOM 1238 CE1 TYR A 79 11.749 5.846 3.598 1.00 15.34 C ATOM 1239 CE2 TYR A 79 11.128 3.811 4.693 1.00 75.33 C ATOM 1240 CZ TYR A 79 11.728 4.468 3.639 1.00 25.33 C ATOM 1241 OH TYR A 79 12.310 3.744 2.624 1.00 60.23 O ATOM 0 H TYR A 79 8.101 7.596 8.231 1.00 33.24 H new ATOM 0 HA TYR A 79 9.481 8.698 6.073 1.00 1.13 H new ATOM 0 HB2 TYR A 79 10.694 7.207 7.394 1.00 11.30 H new ATOM 0 HB3 TYR A 79 9.389 6.041 7.476 1.00 11.30 H new ATOM 0 HD1 TYR A 79 11.180 7.647 4.585 1.00 4.54 H new ATOM 0 HD2 TYR A 79 10.073 4.023 6.531 1.00 34.15 H new ATOM 0 HE1 TYR A 79 12.221 6.358 2.772 1.00 15.34 H new ATOM 0 HE2 TYR A 79 11.115 2.732 4.723 1.00 75.33 H new ATOM 0 HH TYR A 79 12.209 2.786 2.806 1.00 60.23 H new ATOM 1251 N SER A 80 7.395 6.274 5.210 1.00 53.22 N ATOM 1252 CA SER A 80 6.659 5.710 4.084 1.00 31.24 C ATOM 1253 C SER A 80 7.616 5.173 3.024 1.00 12.31 C ATOM 1254 O SER A 80 7.982 3.999 3.041 1.00 65.31 O ATOM 1255 CB SER A 80 5.738 6.765 3.469 1.00 12.12 C ATOM 1256 OG SER A 80 4.649 7.055 4.329 1.00 71.04 O ATOM 0 H SER A 80 7.217 5.815 6.103 1.00 53.22 H new ATOM 0 HA SER A 80 6.054 4.883 4.455 1.00 31.24 H new ATOM 0 HB2 SER A 80 6.303 7.676 3.273 1.00 12.12 H new ATOM 0 HB3 SER A 80 5.363 6.410 2.509 1.00 12.12 H new ATOM 0 HG SER A 80 4.528 6.318 4.964 1.00 71.04 H new ATOM 1262 N MET A 81 8.016 6.043 2.103 1.00 51.34 N ATOM 1263 CA MET A 81 8.931 5.658 1.035 1.00 41.04 C ATOM 1264 C MET A 81 10.167 6.553 1.028 1.00 33.53 C ATOM 1265 O MET A 81 10.253 7.515 1.791 1.00 52.31 O ATOM 1266 CB MET A 81 8.227 5.732 -0.321 1.00 54.24 C ATOM 1267 CG MET A 81 7.558 4.430 -0.731 1.00 14.13 C ATOM 1268 SD MET A 81 6.228 3.950 0.389 1.00 41.41 S ATOM 1269 CE MET A 81 5.035 5.248 0.073 1.00 74.03 C ATOM 0 H MET A 81 7.721 7.019 2.075 1.00 51.34 H new ATOM 0 HA MET A 81 9.248 4.631 1.216 1.00 41.04 H new ATOM 0 HB2 MET A 81 7.477 6.522 -0.289 1.00 54.24 H new ATOM 0 HB3 MET A 81 8.953 6.013 -1.083 1.00 54.24 H new ATOM 0 HG2 MET A 81 7.159 4.533 -1.740 1.00 14.13 H new ATOM 0 HG3 MET A 81 8.305 3.637 -0.763 1.00 14.13 H new ATOM 0 HE1 MET A 81 4.325 5.298 0.898 1.00 74.03 H new ATOM 0 HE2 MET A 81 5.552 6.203 -0.019 1.00 74.03 H new ATOM 0 HE3 MET A 81 4.501 5.034 -0.853 1.00 74.03 H new ATOM 1279 N LYS A 82 11.122 6.228 0.163 1.00 12.44 N ATOM 1280 CA LYS A 82 12.353 7.003 0.057 1.00 72.43 C ATOM 1281 C LYS A 82 12.112 8.307 -0.695 1.00 55.45 C ATOM 1282 O LYS A 82 11.832 8.300 -1.894 1.00 14.33 O ATOM 1283 CB LYS A 82 13.434 6.185 -0.653 1.00 70.34 C ATOM 1284 CG LYS A 82 14.373 5.463 0.297 1.00 21.33 C ATOM 1285 CD LYS A 82 15.503 6.367 0.759 1.00 44.33 C ATOM 1286 CE LYS A 82 16.582 5.583 1.491 1.00 54.13 C ATOM 1287 NZ LYS A 82 17.948 5.956 1.031 1.00 51.43 N ATOM 0 H LYS A 82 11.067 5.434 -0.475 1.00 12.44 H new ATOM 0 HA LYS A 82 12.690 7.243 1.065 1.00 72.43 H new ATOM 0 HB2 LYS A 82 12.955 5.453 -1.303 1.00 70.34 H new ATOM 0 HB3 LYS A 82 14.017 6.847 -1.293 1.00 70.34 H new ATOM 0 HG2 LYS A 82 13.814 5.107 1.162 1.00 21.33 H new ATOM 0 HG3 LYS A 82 14.788 4.585 -0.198 1.00 21.33 H new ATOM 0 HD2 LYS A 82 15.940 6.873 -0.102 1.00 44.33 H new ATOM 0 HD3 LYS A 82 15.106 7.141 1.416 1.00 44.33 H new ATOM 0 HE2 LYS A 82 16.498 5.763 2.563 1.00 54.13 H new ATOM 0 HE3 LYS A 82 16.425 4.516 1.334 1.00 54.13 H new ATOM 0 HZ1 LYS A 82 18.654 5.400 1.554 1.00 51.43 H new ATOM 0 HZ2 LYS A 82 18.037 5.760 0.013 1.00 51.43 H new ATOM 0 HZ3 LYS A 82 18.108 6.969 1.204 1.00 51.43 H new ATOM 1301 N GLU A 83 12.223 9.425 0.016 1.00 63.20 N ATOM 1302 CA GLU A 83 12.018 10.737 -0.586 1.00 73.23 C ATOM 1303 C GLU A 83 13.106 11.042 -1.611 1.00 63.44 C ATOM 1304 O GLU A 83 12.855 11.694 -2.624 1.00 54.35 O ATOM 1305 CB GLU A 83 12.000 11.821 0.493 1.00 4.12 C ATOM 1306 CG GLU A 83 11.096 12.996 0.162 1.00 73.15 C ATOM 1307 CD GLU A 83 10.403 13.562 1.386 1.00 52.44 C ATOM 1308 OE1 GLU A 83 10.045 12.771 2.283 1.00 11.23 O ATOM 1309 OE2 GLU A 83 10.218 14.796 1.446 1.00 62.20 O ATOM 0 H GLU A 83 12.454 9.448 1.009 1.00 63.20 H new ATOM 0 HA GLU A 83 11.055 10.727 -1.097 1.00 73.23 H new ATOM 0 HB2 GLU A 83 11.676 11.378 1.435 1.00 4.12 H new ATOM 0 HB3 GLU A 83 13.015 12.187 0.645 1.00 4.12 H new ATOM 0 HG2 GLU A 83 11.685 13.781 -0.312 1.00 73.15 H new ATOM 0 HG3 GLU A 83 10.345 12.679 -0.562 1.00 73.15 H new ATOM 1316 N ASP A 84 14.316 10.565 -1.340 1.00 21.01 N ATOM 1317 CA ASP A 84 15.444 10.785 -2.238 1.00 11.42 C ATOM 1318 C ASP A 84 15.267 10.001 -3.535 1.00 4.44 C ATOM 1319 O ASP A 84 15.623 10.476 -4.614 1.00 5.13 O ATOM 1320 CB ASP A 84 16.752 10.381 -1.557 1.00 22.32 C ATOM 1321 CG ASP A 84 17.552 11.578 -1.083 1.00 25.24 C ATOM 1322 OD1 ASP A 84 17.312 12.040 0.052 1.00 30.11 O ATOM 1323 OD2 ASP A 84 18.419 12.053 -1.847 1.00 12.24 O ATOM 0 H ASP A 84 14.541 10.023 -0.505 1.00 21.01 H new ATOM 0 HA ASP A 84 15.483 11.847 -2.479 1.00 11.42 H new ATOM 0 HB2 ASP A 84 16.531 9.736 -0.707 1.00 22.32 H new ATOM 0 HB3 ASP A 84 17.355 9.797 -2.252 1.00 22.32 H new ATOM 1328 N THR A 85 14.716 8.797 -3.422 1.00 31.03 N ATOM 1329 CA THR A 85 14.494 7.946 -4.584 1.00 1.01 C ATOM 1330 C THR A 85 13.037 7.992 -5.029 1.00 33.54 C ATOM 1331 O THR A 85 12.617 7.221 -5.893 1.00 2.53 O ATOM 1332 CB THR A 85 14.885 6.485 -4.293 1.00 72.31 C ATOM 1333 OG1 THR A 85 15.752 6.427 -3.155 1.00 64.23 O ATOM 1334 CG2 THR A 85 15.575 5.859 -5.496 1.00 1.51 C ATOM 0 H THR A 85 14.415 8.389 -2.537 1.00 31.03 H new ATOM 0 HA THR A 85 15.127 8.331 -5.383 1.00 1.01 H new ATOM 0 HB THR A 85 13.975 5.923 -4.084 1.00 72.31 H new ATOM 0 HG1 THR A 85 15.994 5.495 -2.976 1.00 64.23 H new ATOM 0 HG21 THR A 85 15.842 4.827 -5.266 1.00 1.51 H new ATOM 0 HG22 THR A 85 14.901 5.878 -6.352 1.00 1.51 H new ATOM 0 HG23 THR A 85 16.477 6.423 -5.732 1.00 1.51 H new ATOM 1342 N ARG A 86 12.269 8.899 -4.433 1.00 63.24 N ATOM 1343 CA ARG A 86 10.858 9.044 -4.768 1.00 71.04 C ATOM 1344 C ARG A 86 10.688 9.698 -6.136 1.00 43.25 C ATOM 1345 O ARG A 86 11.221 10.780 -6.390 1.00 32.33 O ATOM 1346 CB ARG A 86 10.141 9.874 -3.702 1.00 4.21 C ATOM 1347 CG ARG A 86 8.927 9.182 -3.105 1.00 72.04 C ATOM 1348 CD ARG A 86 8.312 10.004 -1.983 1.00 64.20 C ATOM 1349 NE ARG A 86 8.913 9.696 -0.688 1.00 11.43 N ATOM 1350 CZ ARG A 86 8.845 10.505 0.364 1.00 34.53 C ATOM 1351 NH1 ARG A 86 8.205 11.662 0.275 1.00 50.45 N ATOM 1352 NH2 ARG A 86 9.416 10.155 1.509 1.00 24.34 N ATOM 0 H ARG A 86 12.601 9.544 -3.716 1.00 63.24 H new ATOM 0 HA ARG A 86 10.415 8.049 -4.803 1.00 71.04 H new ATOM 0 HB2 ARG A 86 10.844 10.109 -2.903 1.00 4.21 H new ATOM 0 HB3 ARG A 86 9.829 10.822 -4.141 1.00 4.21 H new ATOM 0 HG2 ARG A 86 8.183 9.014 -3.884 1.00 72.04 H new ATOM 0 HG3 ARG A 86 9.216 8.203 -2.724 1.00 72.04 H new ATOM 0 HD2 ARG A 86 8.439 11.065 -2.199 1.00 64.20 H new ATOM 0 HD3 ARG A 86 7.240 9.814 -1.940 1.00 64.20 H new ATOM 0 HE ARG A 86 9.412 8.812 -0.586 1.00 11.43 H new ATOM 0 HH11 ARG A 86 7.763 11.934 -0.603 1.00 50.45 H new ATOM 0 HH12 ARG A 86 8.155 12.281 1.084 1.00 50.45 H new ATOM 0 HH21 ARG A 86 9.908 9.264 1.582 1.00 24.34 H new ATOM 0 HH22 ARG A 86 9.363 10.777 2.316 1.00 24.34 H new ATOM 1366 N LEU A 87 9.944 9.036 -7.015 1.00 64.41 N ATOM 1367 CA LEU A 87 9.705 9.552 -8.358 1.00 72.13 C ATOM 1368 C LEU A 87 8.420 10.373 -8.405 1.00 71.51 C ATOM 1369 O LEU A 87 8.354 11.401 -9.077 1.00 52.12 O ATOM 1370 CB LEU A 87 9.625 8.400 -9.362 1.00 13.30 C ATOM 1371 CG LEU A 87 10.559 8.496 -10.569 1.00 33.41 C ATOM 1372 CD1 LEU A 87 10.221 7.421 -11.591 1.00 41.52 C ATOM 1373 CD2 LEU A 87 10.477 9.878 -11.199 1.00 13.53 C ATOM 0 H LEU A 87 9.496 8.140 -6.822 1.00 64.41 H new ATOM 0 HA LEU A 87 10.539 10.201 -8.625 1.00 72.13 H new ATOM 0 HB2 LEU A 87 9.839 7.470 -8.835 1.00 13.30 H new ATOM 0 HB3 LEU A 87 8.600 8.332 -9.726 1.00 13.30 H new ATOM 0 HG LEU A 87 11.581 8.336 -10.227 1.00 33.41 H new ATOM 0 HD11 LEU A 87 10.895 7.504 -12.443 1.00 41.52 H new ATOM 0 HD12 LEU A 87 10.332 6.437 -11.135 1.00 41.52 H new ATOM 0 HD13 LEU A 87 9.193 7.550 -11.928 1.00 41.52 H new ATOM 0 HD21 LEU A 87 11.148 9.927 -12.056 1.00 13.53 H new ATOM 0 HD22 LEU A 87 9.455 10.068 -11.527 1.00 13.53 H new ATOM 0 HD23 LEU A 87 10.769 10.630 -10.466 1.00 13.53 H new ATOM 1385 N GLU A 88 7.402 9.911 -7.685 1.00 23.12 N ATOM 1386 CA GLU A 88 6.120 10.604 -7.644 1.00 20.05 C ATOM 1387 C GLU A 88 5.445 10.419 -6.287 1.00 41.34 C ATOM 1388 O GLU A 88 5.931 9.675 -5.436 1.00 53.44 O ATOM 1389 CB GLU A 88 5.203 10.092 -8.756 1.00 15.20 C ATOM 1390 CG GLU A 88 4.578 11.200 -9.587 1.00 73.15 C ATOM 1391 CD GLU A 88 5.612 12.040 -10.311 1.00 11.52 C ATOM 1392 OE1 GLU A 88 6.080 11.611 -11.386 1.00 11.12 O ATOM 1393 OE2 GLU A 88 5.953 13.129 -9.801 1.00 71.41 O ATOM 0 H GLU A 88 7.440 9.061 -7.123 1.00 23.12 H new ATOM 0 HA GLU A 88 6.305 11.667 -7.797 1.00 20.05 H new ATOM 0 HB2 GLU A 88 5.774 9.435 -9.412 1.00 15.20 H new ATOM 0 HB3 GLU A 88 4.410 9.490 -8.313 1.00 15.20 H new ATOM 0 HG2 GLU A 88 3.896 10.762 -10.316 1.00 73.15 H new ATOM 0 HG3 GLU A 88 3.982 11.843 -8.939 1.00 73.15 H new ATOM 1400 N GLY A 89 4.322 11.104 -6.094 1.00 34.41 N ATOM 1401 CA GLY A 89 3.598 11.003 -4.840 1.00 22.52 C ATOM 1402 C GLY A 89 4.094 11.991 -3.803 1.00 62.11 C ATOM 1403 O GLY A 89 4.874 12.896 -4.100 1.00 53.34 O ATOM 0 H GLY A 89 3.901 11.727 -6.783 1.00 34.41 H new ATOM 0 HA2 GLY A 89 2.537 11.174 -5.022 1.00 22.52 H new ATOM 0 HA3 GLY A 89 3.695 9.990 -4.448 1.00 22.52 H new ATOM 1407 N PRO A 90 3.636 11.823 -2.554 1.00 5.35 N ATOM 1408 CA PRO A 90 2.708 10.750 -2.188 1.00 33.30 C ATOM 1409 C PRO A 90 1.316 10.963 -2.774 1.00 21.40 C ATOM 1410 O PRO A 90 1.017 12.026 -3.316 1.00 40.53 O ATOM 1411 CB PRO A 90 2.662 10.825 -0.660 1.00 13.52 C ATOM 1412 CG PRO A 90 3.017 12.236 -0.340 1.00 2.34 C ATOM 1413 CD PRO A 90 3.990 12.669 -1.401 1.00 50.53 C ATOM 0 HA PRO A 90 3.033 9.782 -2.571 1.00 33.30 H new ATOM 0 HB2 PRO A 90 1.673 10.570 -0.281 1.00 13.52 H new ATOM 0 HB3 PRO A 90 3.367 10.127 -0.208 1.00 13.52 H new ATOM 0 HG2 PRO A 90 2.131 12.871 -0.340 1.00 2.34 H new ATOM 0 HG3 PRO A 90 3.462 12.311 0.652 1.00 2.34 H new ATOM 0 HD2 PRO A 90 3.886 13.729 -1.633 1.00 50.53 H new ATOM 0 HD3 PRO A 90 5.022 12.511 -1.088 1.00 50.53 H new ATOM 1421 N TRP A 91 0.470 9.945 -2.661 1.00 11.42 N ATOM 1422 CA TRP A 91 -0.891 10.022 -3.180 1.00 10.23 C ATOM 1423 C TRP A 91 -1.876 9.355 -2.226 1.00 23.11 C ATOM 1424 O TRP A 91 -1.623 8.259 -1.726 1.00 41.22 O ATOM 1425 CB TRP A 91 -0.971 9.364 -4.558 1.00 32.20 C ATOM 1426 CG TRP A 91 -0.358 10.190 -5.648 1.00 13.54 C ATOM 1427 CD1 TRP A 91 -0.428 11.548 -5.785 1.00 22.55 C ATOM 1428 CD2 TRP A 91 0.415 9.713 -6.754 1.00 22.34 C ATOM 1429 NE1 TRP A 91 0.256 11.942 -6.909 1.00 40.21 N ATOM 1430 CE2 TRP A 91 0.783 10.836 -7.521 1.00 21.44 C ATOM 1431 CE3 TRP A 91 0.835 8.446 -7.170 1.00 13.34 C ATOM 1432 CZ2 TRP A 91 1.548 10.727 -8.679 1.00 5.24 C ATOM 1433 CZ3 TRP A 91 1.594 8.340 -8.319 1.00 40.53 C ATOM 1434 CH2 TRP A 91 1.945 9.475 -9.063 1.00 3.24 C ATOM 0 H TRP A 91 0.702 9.057 -2.215 1.00 11.42 H new ATOM 0 HA TRP A 91 -1.159 11.074 -3.272 1.00 10.23 H new ATOM 0 HB2 TRP A 91 -0.470 8.396 -4.520 1.00 32.20 H new ATOM 0 HB3 TRP A 91 -2.016 9.173 -4.801 1.00 32.20 H new ATOM 0 HD1 TRP A 91 -0.945 12.213 -5.109 1.00 22.55 H new ATOM 0 HE1 TRP A 91 0.355 12.903 -7.235 1.00 40.21 H new ATOM 0 HE3 TRP A 91 0.571 7.566 -6.603 1.00 13.34 H new ATOM 0 HZ2 TRP A 91 1.819 11.600 -9.254 1.00 5.24 H new ATOM 0 HZ3 TRP A 91 1.923 7.366 -8.650 1.00 40.53 H new ATOM 0 HH2 TRP A 91 2.540 9.359 -9.957 1.00 3.24 H new ATOM 1445 N GLU A 92 -2.998 10.023 -1.978 1.00 73.32 N ATOM 1446 CA GLU A 92 -4.020 9.492 -1.083 1.00 40.50 C ATOM 1447 C GLU A 92 -5.333 9.270 -1.828 1.00 33.14 C ATOM 1448 O GLU A 92 -5.652 9.989 -2.775 1.00 62.31 O ATOM 1449 CB GLU A 92 -4.243 10.445 0.093 1.00 11.14 C ATOM 1450 CG GLU A 92 -3.117 10.428 1.113 1.00 63.51 C ATOM 1451 CD GLU A 92 -2.608 11.817 1.444 1.00 12.15 C ATOM 1452 OE1 GLU A 92 -2.080 12.489 0.534 1.00 14.22 O ATOM 1453 OE2 GLU A 92 -2.739 12.232 2.615 1.00 3.22 O ATOM 0 H GLU A 92 -3.222 10.932 -2.383 1.00 73.32 H new ATOM 0 HA GLU A 92 -3.671 8.532 -0.703 1.00 40.50 H new ATOM 0 HB2 GLU A 92 -4.360 11.459 -0.289 1.00 11.14 H new ATOM 0 HB3 GLU A 92 -5.176 10.182 0.591 1.00 11.14 H new ATOM 0 HG2 GLU A 92 -3.466 9.946 2.026 1.00 63.51 H new ATOM 0 HG3 GLU A 92 -2.294 9.825 0.730 1.00 63.51 H new ATOM 1460 N TYR A 93 -6.091 8.269 -1.392 1.00 43.25 N ATOM 1461 CA TYR A 93 -7.368 7.949 -2.019 1.00 22.02 C ATOM 1462 C TYR A 93 -8.403 7.548 -0.972 1.00 3.31 C ATOM 1463 O TYR A 93 -8.061 7.236 0.168 1.00 41.21 O ATOM 1464 CB TYR A 93 -7.192 6.821 -3.036 1.00 70.53 C ATOM 1465 CG TYR A 93 -6.513 7.258 -4.315 1.00 11.05 C ATOM 1466 CD1 TYR A 93 -5.140 7.465 -4.360 1.00 31.14 C ATOM 1467 CD2 TYR A 93 -7.245 7.464 -5.478 1.00 31.54 C ATOM 1468 CE1 TYR A 93 -4.516 7.865 -5.525 1.00 40.41 C ATOM 1469 CE2 TYR A 93 -6.629 7.863 -6.648 1.00 72.41 C ATOM 1470 CZ TYR A 93 -5.265 8.063 -6.667 1.00 24.34 C ATOM 1471 OH TYR A 93 -4.646 8.460 -7.830 1.00 14.30 O ATOM 0 H TYR A 93 -5.843 7.666 -0.608 1.00 43.25 H new ATOM 0 HA TYR A 93 -7.725 8.841 -2.534 1.00 22.02 H new ATOM 0 HB2 TYR A 93 -6.609 6.020 -2.581 1.00 70.53 H new ATOM 0 HB3 TYR A 93 -8.170 6.405 -3.278 1.00 70.53 H new ATOM 0 HD1 TYR A 93 -4.551 7.310 -3.468 1.00 31.14 H new ATOM 0 HD2 TYR A 93 -8.314 7.309 -5.467 1.00 31.54 H new ATOM 0 HE1 TYR A 93 -3.448 8.022 -5.542 1.00 40.41 H new ATOM 0 HE2 TYR A 93 -7.213 8.018 -7.543 1.00 72.41 H new ATOM 0 HH TYR A 93 -5.314 8.553 -8.541 1.00 14.30 H new ATOM 1481 N GLY A 94 -9.672 7.559 -1.369 1.00 43.20 N ATOM 1482 CA GLY A 94 -10.738 7.195 -0.455 1.00 32.22 C ATOM 1483 C GLY A 94 -10.802 8.107 0.754 1.00 33.33 C ATOM 1484 O GLY A 94 -10.568 9.310 0.645 1.00 63.42 O ATOM 0 H GLY A 94 -9.980 7.814 -2.307 1.00 43.20 H new ATOM 0 HA2 GLY A 94 -11.691 7.228 -0.982 1.00 32.22 H new ATOM 0 HA3 GLY A 94 -10.593 6.167 -0.123 1.00 32.22 H new ATOM 1488 N GLU A 95 -11.122 7.533 1.910 1.00 14.11 N ATOM 1489 CA GLU A 95 -11.219 8.304 3.144 1.00 51.31 C ATOM 1490 C GLU A 95 -12.251 9.420 3.009 1.00 52.14 C ATOM 1491 O GLU A 95 -12.983 9.485 2.022 1.00 41.54 O ATOM 1492 CB GLU A 95 -9.856 8.897 3.509 1.00 34.43 C ATOM 1493 CG GLU A 95 -9.935 10.020 4.530 1.00 63.42 C ATOM 1494 CD GLU A 95 -9.840 11.393 3.894 1.00 10.12 C ATOM 1495 OE1 GLU A 95 -8.898 11.618 3.106 1.00 63.51 O ATOM 1496 OE2 GLU A 95 -10.707 12.243 4.185 1.00 53.11 O ATOM 0 H GLU A 95 -11.318 6.538 2.017 1.00 14.11 H new ATOM 0 HA GLU A 95 -11.540 7.630 3.939 1.00 51.31 H new ATOM 0 HB2 GLU A 95 -9.218 8.105 3.901 1.00 34.43 H new ATOM 0 HB3 GLU A 95 -9.378 9.273 2.604 1.00 34.43 H new ATOM 0 HG2 GLU A 95 -10.874 9.942 5.079 1.00 63.42 H new ATOM 0 HG3 GLU A 95 -9.130 9.903 5.256 1.00 63.42 H new