USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 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 7 LYS NZ :NH3+ -169:sc= 0.212 (180deg=-0.273) USER MOD Set 1.2: A 44 THR OG1 : rot 152:sc= 0.263 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.204 X(o=0.4,f=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 0.195 K(o=0.4,f=-0.15) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.607 X(o=0.079,f=-0.1) USER MOD Set 3.2: A 72 THR OG1 : rot 43:sc= 0.686 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.00686 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.48) USER MOD Single : A 9 TYR OH : rot 30:sc= -0.814 USER MOD Single : A 10 SER OG : rot 120:sc= 0.0458 USER MOD Single : A 12 ASN : amide:sc= 0.48 K(o=0.48,f=-6.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -166:sc= 0.516 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.8) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 42:sc= 0.485 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0.324 (180deg=-0.0598) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -0.236 (180deg=-0.392) USER MOD Single : A 66 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.091) USER MOD Single : A 74 THR OG1 : rot 76:sc= 0.463 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 81 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD Single : A 82 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.0053) USER MOD Single : A 83 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=-0.0099) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.557 12.807 -16.511 1.00 54.54 N ATOM 2 CA MET A 1 0.722 11.613 -16.781 1.00 34.23 C ATOM 3 C MET A 1 1.498 10.337 -16.426 1.00 3.21 C ATOM 4 O MET A 1 2.696 10.233 -16.720 1.00 65.34 O ATOM 5 CB MET A 1 0.266 11.595 -18.267 1.00 53.43 C ATOM 6 CG MET A 1 -0.551 10.354 -18.677 1.00 25.44 C ATOM 7 SD MET A 1 -2.001 10.094 -17.625 1.00 51.32 S ATOM 8 CE MET A 1 -2.667 8.554 -18.271 1.00 60.31 C ATOM 0 H1 MET A 1 1.213 13.285 -15.654 1.00 54.54 H new ATOM 0 H2 MET A 1 2.545 12.515 -16.372 1.00 54.54 H new ATOM 0 H3 MET A 1 1.500 13.460 -17.318 1.00 54.54 H new ATOM 0 HA MET A 1 -0.171 11.656 -16.157 1.00 34.23 H new ATOM 0 HB2 MET A 1 -0.331 12.486 -18.460 1.00 53.43 H new ATOM 0 HB3 MET A 1 1.148 11.659 -18.904 1.00 53.43 H new ATOM 0 HG2 MET A 1 -0.873 10.462 -19.713 1.00 25.44 H new ATOM 0 HG3 MET A 1 0.088 9.472 -18.632 1.00 25.44 H new ATOM 0 HE1 MET A 1 -3.562 8.281 -17.711 1.00 60.31 H new ATOM 0 HE2 MET A 1 -2.922 8.681 -19.323 1.00 60.31 H new ATOM 0 HE3 MET A 1 -1.922 7.765 -18.171 1.00 60.31 H new ATOM 20 N GLY A 2 0.804 9.378 -15.783 1.00 45.10 N ATOM 21 CA GLY A 2 1.381 8.081 -15.443 1.00 52.02 C ATOM 22 C GLY A 2 0.604 7.367 -14.346 1.00 53.13 C ATOM 23 O GLY A 2 -0.293 7.957 -13.726 1.00 71.03 O ATOM 0 H GLY A 2 -0.167 9.488 -15.490 1.00 45.10 H new ATOM 0 HA2 GLY A 2 1.406 7.453 -16.334 1.00 52.02 H new ATOM 0 HA3 GLY A 2 2.413 8.219 -15.122 1.00 52.02 H new ATOM 27 N GLN A 3 0.949 6.087 -14.119 1.00 1.03 N ATOM 28 CA GLN A 3 0.325 5.251 -13.076 1.00 21.01 C ATOM 29 C GLN A 3 0.794 5.681 -11.681 1.00 4.23 C ATOM 30 O GLN A 3 2.003 5.763 -11.412 1.00 42.21 O ATOM 31 CB GLN A 3 0.667 3.749 -13.306 1.00 22.22 C ATOM 32 CG GLN A 3 0.129 2.776 -12.229 1.00 3.23 C ATOM 33 CD GLN A 3 0.602 1.335 -12.449 1.00 62.32 C ATOM 34 OE1 GLN A 3 -0.045 0.559 -13.148 1.00 25.34 O ATOM 35 NE2 GLN A 3 1.737 0.971 -11.857 1.00 44.52 N ATOM 0 H GLN A 3 1.669 5.602 -14.654 1.00 1.03 H new ATOM 0 HA GLN A 3 -0.755 5.384 -13.139 1.00 21.01 H new ATOM 0 HB2 GLN A 3 0.270 3.447 -14.275 1.00 22.22 H new ATOM 0 HB3 GLN A 3 1.751 3.644 -13.358 1.00 22.22 H new ATOM 0 HG2 GLN A 3 0.452 3.114 -11.245 1.00 3.23 H new ATOM 0 HG3 GLN A 3 -0.961 2.802 -12.233 1.00 3.23 H new ATOM 0 HE21 GLN A 3 2.250 1.640 -11.283 1.00 44.52 H new ATOM 0 HE22 GLN A 3 2.094 0.023 -11.977 1.00 44.52 H new ATOM 44 N TRP A 4 -0.178 5.953 -10.812 1.00 41.52 N ATOM 45 CA TRP A 4 0.062 6.205 -9.394 1.00 13.23 C ATOM 46 C TRP A 4 0.270 4.871 -8.669 1.00 30.21 C ATOM 47 O TRP A 4 -0.584 3.980 -8.741 1.00 52.31 O ATOM 48 CB TRP A 4 -1.122 6.985 -8.809 1.00 33.30 C ATOM 49 CG TRP A 4 -1.203 8.397 -9.328 1.00 51.15 C ATOM 50 CD1 TRP A 4 -0.368 9.415 -8.998 1.00 63.52 C ATOM 51 CD2 TRP A 4 -2.144 8.940 -10.259 1.00 32.52 C ATOM 52 NE1 TRP A 4 -0.735 10.555 -9.647 1.00 53.43 N ATOM 53 CE2 TRP A 4 -1.823 10.294 -10.425 1.00 34.34 C ATOM 54 CE3 TRP A 4 -3.228 8.418 -10.960 1.00 55.41 C ATOM 55 CZ2 TRP A 4 -2.539 11.136 -11.262 1.00 41.22 C ATOM 56 CZ3 TRP A 4 -3.941 9.259 -11.796 1.00 30.34 C ATOM 57 CH2 TRP A 4 -3.596 10.606 -11.935 1.00 35.43 C ATOM 0 H TRP A 4 -1.162 6.005 -11.075 1.00 41.52 H new ATOM 0 HA TRP A 4 0.962 6.806 -9.263 1.00 13.23 H new ATOM 0 HB2 TRP A 4 -2.049 6.462 -9.046 1.00 33.30 H new ATOM 0 HB3 TRP A 4 -1.036 7.006 -7.723 1.00 33.30 H new ATOM 0 HD1 TRP A 4 0.467 9.333 -8.318 1.00 63.52 H new ATOM 0 HE1 TRP A 4 -0.270 11.459 -9.564 1.00 53.43 H new ATOM 0 HE3 TRP A 4 -3.506 7.380 -10.854 1.00 55.41 H new ATOM 0 HZ2 TRP A 4 -2.267 12.175 -11.376 1.00 41.22 H new ATOM 0 HZ3 TRP A 4 -4.780 8.867 -12.352 1.00 30.34 H new ATOM 0 HH2 TRP A 4 -4.179 11.238 -12.589 1.00 35.43 H new ATOM 68 N GLN A 5 1.410 4.742 -7.983 1.00 70.34 N ATOM 69 CA GLN A 5 1.878 3.456 -7.447 1.00 75.40 C ATOM 70 C GLN A 5 2.488 3.643 -6.045 1.00 21.43 C ATOM 71 O GLN A 5 3.456 4.366 -5.886 1.00 34.21 O ATOM 72 CB GLN A 5 2.899 2.847 -8.452 1.00 53.32 C ATOM 73 CG GLN A 5 3.603 1.556 -7.998 1.00 64.42 C ATOM 74 CD GLN A 5 4.538 1.006 -9.079 1.00 30.10 C ATOM 75 OE1 GLN A 5 4.141 0.172 -9.898 1.00 40.22 O ATOM 76 NE2 GLN A 5 5.772 1.500 -9.111 1.00 73.22 N ATOM 0 H GLN A 5 2.035 5.523 -7.783 1.00 70.34 H new ATOM 0 HA GLN A 5 1.042 2.766 -7.333 1.00 75.40 H new ATOM 0 HB2 GLN A 5 2.380 2.644 -9.389 1.00 53.32 H new ATOM 0 HB3 GLN A 5 3.661 3.597 -8.665 1.00 53.32 H new ATOM 0 HG2 GLN A 5 4.174 1.753 -7.090 1.00 64.42 H new ATOM 0 HG3 GLN A 5 2.855 0.804 -7.747 1.00 64.42 H new ATOM 0 HE21 GLN A 5 6.064 2.188 -8.417 1.00 73.22 H new ATOM 0 HE22 GLN A 5 6.427 1.191 -9.830 1.00 73.22 H new ATOM 85 N ILE A 6 1.889 2.989 -5.033 1.00 62.52 N ATOM 86 CA ILE A 6 2.416 2.965 -3.647 1.00 64.34 C ATOM 87 C ILE A 6 3.251 1.680 -3.466 1.00 33.21 C ATOM 88 O ILE A 6 2.964 0.665 -4.093 1.00 74.22 O ATOM 89 CB ILE A 6 1.239 2.990 -2.586 1.00 73.51 C ATOM 90 CG1 ILE A 6 0.230 4.124 -2.931 1.00 25.13 C ATOM 91 CG2 ILE A 6 1.767 3.156 -1.133 1.00 13.13 C ATOM 92 CD1 ILE A 6 -1.025 4.146 -2.082 1.00 72.40 C ATOM 0 H ILE A 6 1.025 2.460 -5.149 1.00 62.52 H new ATOM 0 HA ILE A 6 3.031 3.850 -3.484 1.00 64.34 H new ATOM 0 HB ILE A 6 0.729 2.028 -2.637 1.00 73.51 H new ATOM 0 HG12 ILE A 6 0.736 5.084 -2.829 1.00 25.13 H new ATOM 0 HG13 ILE A 6 -0.059 4.026 -3.977 1.00 25.13 H new ATOM 0 HG21 ILE A 6 0.926 3.168 -0.439 1.00 13.13 H new ATOM 0 HG22 ILE A 6 2.427 2.324 -0.889 1.00 13.13 H new ATOM 0 HG23 ILE A 6 2.318 4.093 -1.051 1.00 13.13 H new ATOM 0 HD11 ILE A 6 -1.664 4.970 -2.398 1.00 72.40 H new ATOM 0 HD12 ILE A 6 -1.562 3.205 -2.201 1.00 72.40 H new ATOM 0 HD13 ILE A 6 -0.754 4.279 -1.035 1.00 72.40 H new ATOM 104 N LYS A 7 4.298 1.747 -2.640 1.00 30.34 N ATOM 105 CA LYS A 7 5.182 0.610 -2.327 1.00 1.53 C ATOM 106 C LYS A 7 5.485 0.616 -0.824 1.00 64.44 C ATOM 107 O LYS A 7 6.182 1.494 -0.316 1.00 23.42 O ATOM 108 CB LYS A 7 6.483 0.660 -3.188 1.00 21.23 C ATOM 109 CG LYS A 7 6.272 0.231 -4.661 1.00 52.24 C ATOM 110 CD LYS A 7 7.550 0.345 -5.521 1.00 62.14 C ATOM 111 CE LYS A 7 7.404 -0.373 -6.876 1.00 4.03 C ATOM 112 NZ LYS A 7 7.251 -1.854 -6.712 1.00 1.41 N ATOM 0 H LYS A 7 4.564 2.606 -2.159 1.00 30.34 H new ATOM 0 HA LYS A 7 4.682 -0.326 -2.578 1.00 1.53 H new ATOM 0 HB2 LYS A 7 6.883 1.674 -3.168 1.00 21.23 H new ATOM 0 HB3 LYS A 7 7.233 0.013 -2.734 1.00 21.23 H new ATOM 0 HG2 LYS A 7 5.918 -0.800 -4.685 1.00 52.24 H new ATOM 0 HG3 LYS A 7 5.489 0.847 -5.103 1.00 52.24 H new ATOM 0 HD2 LYS A 7 7.779 1.397 -5.692 1.00 62.14 H new ATOM 0 HD3 LYS A 7 8.393 -0.080 -4.975 1.00 62.14 H new ATOM 0 HE2 LYS A 7 6.538 0.025 -7.406 1.00 4.03 H new ATOM 0 HE3 LYS A 7 8.278 -0.165 -7.493 1.00 4.03 H new ATOM 0 HZ1 LYS A 7 7.343 -2.317 -7.639 1.00 1.41 H new ATOM 0 HZ2 LYS A 7 7.989 -2.211 -6.072 1.00 1.41 H new ATOM 0 HZ3 LYS A 7 6.315 -2.064 -6.311 1.00 1.41 H new ATOM 126 N ILE A 8 4.901 -0.357 -0.126 1.00 64.30 N ATOM 127 CA ILE A 8 4.984 -0.504 1.330 1.00 4.14 C ATOM 128 C ILE A 8 6.037 -1.581 1.657 1.00 54.34 C ATOM 129 O ILE A 8 5.807 -2.743 1.377 1.00 61.44 O ATOM 130 CB ILE A 8 3.564 -0.927 1.883 1.00 13.55 C ATOM 131 CG1 ILE A 8 2.450 0.042 1.345 1.00 3.05 C ATOM 132 CG2 ILE A 8 3.552 -0.997 3.430 1.00 1.51 C ATOM 133 CD1 ILE A 8 1.025 -0.421 1.599 1.00 32.03 C ATOM 0 H ILE A 8 4.341 -1.086 -0.568 1.00 64.30 H new ATOM 0 HA ILE A 8 5.278 0.435 1.798 1.00 4.14 H new ATOM 0 HB ILE A 8 3.347 -1.930 1.516 1.00 13.55 H new ATOM 0 HG12 ILE A 8 2.586 1.021 1.805 1.00 3.05 H new ATOM 0 HG13 ILE A 8 2.589 0.172 0.272 1.00 3.05 H new ATOM 0 HG21 ILE A 8 2.560 -1.291 3.773 1.00 1.51 H new ATOM 0 HG22 ILE A 8 4.284 -1.731 3.767 1.00 1.51 H new ATOM 0 HG23 ILE A 8 3.803 -0.019 3.840 1.00 1.51 H new ATOM 0 HD11 ILE A 8 0.327 0.311 1.193 1.00 32.03 H new ATOM 0 HD12 ILE A 8 0.864 -1.384 1.115 1.00 32.03 H new ATOM 0 HD13 ILE A 8 0.861 -0.522 2.672 1.00 32.03 H new ATOM 145 N TYR A 9 7.196 -1.188 2.198 1.00 33.43 N ATOM 146 CA TYR A 9 8.298 -2.119 2.526 1.00 51.31 C ATOM 147 C TYR A 9 8.349 -2.377 4.035 1.00 74.53 C ATOM 148 O TYR A 9 8.644 -1.459 4.806 1.00 54.02 O ATOM 149 CB TYR A 9 9.655 -1.527 2.063 1.00 74.31 C ATOM 150 CG TYR A 9 9.758 -1.292 0.555 1.00 72.10 C ATOM 151 CD1 TYR A 9 10.132 -2.323 -0.309 1.00 4.43 C ATOM 152 CD2 TYR A 9 9.488 -0.039 -0.008 1.00 61.04 C ATOM 153 CE1 TYR A 9 10.231 -2.117 -1.672 1.00 25.43 C ATOM 154 CE2 TYR A 9 9.588 0.168 -1.371 1.00 41.45 C ATOM 155 CZ TYR A 9 9.961 -0.874 -2.197 1.00 12.40 C ATOM 156 OH TYR A 9 10.059 -0.672 -3.556 1.00 4.24 O ATOM 0 H TYR A 9 7.403 -0.215 2.424 1.00 33.43 H new ATOM 0 HA TYR A 9 8.116 -3.060 2.007 1.00 51.31 H new ATOM 0 HB2 TYR A 9 9.820 -0.581 2.578 1.00 74.31 H new ATOM 0 HB3 TYR A 9 10.455 -2.201 2.369 1.00 74.31 H new ATOM 0 HD1 TYR A 9 10.348 -3.301 0.096 1.00 4.43 H new ATOM 0 HD2 TYR A 9 9.197 0.780 0.633 1.00 61.04 H new ATOM 0 HE1 TYR A 9 10.519 -2.929 -2.323 1.00 25.43 H new ATOM 0 HE2 TYR A 9 9.375 1.141 -1.788 1.00 41.45 H new ATOM 0 HH TYR A 9 9.852 -1.506 -4.026 1.00 4.24 H new ATOM 166 N SER A 10 8.039 -3.609 4.462 1.00 44.11 N ATOM 167 CA SER A 10 8.255 -4.031 5.854 1.00 54.42 C ATOM 168 C SER A 10 8.689 -5.501 5.933 1.00 74.33 C ATOM 169 O SER A 10 8.468 -6.289 5.010 1.00 44.11 O ATOM 170 CB SER A 10 7.000 -3.778 6.719 1.00 44.43 C ATOM 171 OG SER A 10 7.229 -4.115 8.080 1.00 51.13 O ATOM 0 H SER A 10 7.638 -4.331 3.864 1.00 44.11 H new ATOM 0 HA SER A 10 9.066 -3.423 6.256 1.00 54.42 H new ATOM 0 HB2 SER A 10 6.712 -2.729 6.646 1.00 44.43 H new ATOM 0 HB3 SER A 10 6.166 -4.365 6.333 1.00 44.43 H new ATOM 0 HG SER A 10 7.100 -3.321 8.640 1.00 51.13 H new ATOM 177 N GLU A 11 9.312 -5.837 7.069 1.00 33.20 N ATOM 178 CA GLU A 11 9.721 -7.206 7.422 1.00 25.43 C ATOM 179 C GLU A 11 8.530 -8.008 7.996 1.00 52.34 C ATOM 180 O GLU A 11 8.546 -9.240 7.996 1.00 55.40 O ATOM 181 CB GLU A 11 10.868 -7.135 8.468 1.00 21.22 C ATOM 182 CG GLU A 11 10.462 -6.451 9.798 1.00 3.14 C ATOM 183 CD GLU A 11 11.638 -6.193 10.751 1.00 34.33 C ATOM 184 OE1 GLU A 11 12.271 -5.120 10.648 1.00 30.52 O ATOM 185 OE2 GLU A 11 11.922 -7.050 11.615 1.00 12.24 O ATOM 0 H GLU A 11 9.552 -5.152 7.785 1.00 33.20 H new ATOM 0 HA GLU A 11 10.067 -7.717 6.523 1.00 25.43 H new ATOM 0 HB2 GLU A 11 11.215 -8.146 8.682 1.00 21.22 H new ATOM 0 HB3 GLU A 11 11.709 -6.594 8.034 1.00 21.22 H new ATOM 0 HG2 GLU A 11 9.975 -5.502 9.573 1.00 3.14 H new ATOM 0 HG3 GLU A 11 9.726 -7.075 10.306 1.00 3.14 H new ATOM 192 N ASN A 12 7.498 -7.287 8.474 1.00 24.32 N ATOM 193 CA ASN A 12 6.378 -7.871 9.241 1.00 10.44 C ATOM 194 C ASN A 12 5.102 -7.917 8.385 1.00 33.03 C ATOM 195 O ASN A 12 4.759 -6.939 7.724 1.00 21.22 O ATOM 196 CB ASN A 12 6.128 -7.038 10.532 1.00 55.50 C ATOM 197 CG ASN A 12 5.362 -7.806 11.628 1.00 62.31 C ATOM 198 OD1 ASN A 12 4.611 -8.747 11.354 1.00 60.41 O ATOM 199 ND2 ASN A 12 5.532 -7.398 12.878 1.00 23.24 N ATOM 0 H ASN A 12 7.416 -6.279 8.339 1.00 24.32 H new ATOM 0 HA ASN A 12 6.642 -8.891 9.520 1.00 10.44 H new ATOM 0 HB2 ASN A 12 7.087 -6.710 10.933 1.00 55.50 H new ATOM 0 HB3 ASN A 12 5.568 -6.140 10.271 1.00 55.50 H new ATOM 0 HD21 ASN A 12 5.037 -7.864 13.638 1.00 23.24 H new ATOM 0 HD22 ASN A 12 6.158 -6.618 13.079 1.00 23.24 H new ATOM 206 N GLU A 13 4.396 -9.057 8.460 1.00 13.23 N ATOM 207 CA GLU A 13 3.128 -9.311 7.751 1.00 62.03 C ATOM 208 C GLU A 13 1.959 -8.567 8.425 1.00 12.53 C ATOM 209 O GLU A 13 0.970 -8.243 7.764 1.00 60.21 O ATOM 210 CB GLU A 13 2.869 -10.843 7.719 1.00 3.53 C ATOM 211 CG GLU A 13 1.578 -11.284 6.992 1.00 3.45 C ATOM 212 CD GLU A 13 1.390 -12.813 6.971 1.00 13.04 C ATOM 213 OE1 GLU A 13 0.837 -13.360 7.944 1.00 32.02 O ATOM 214 OE2 GLU A 13 1.795 -13.471 5.983 1.00 70.52 O ATOM 0 H GLU A 13 4.697 -9.848 9.029 1.00 13.23 H new ATOM 0 HA GLU A 13 3.202 -8.935 6.731 1.00 62.03 H new ATOM 0 HB2 GLU A 13 3.719 -11.328 7.239 1.00 3.53 H new ATOM 0 HB3 GLU A 13 2.831 -11.209 8.745 1.00 3.53 H new ATOM 0 HG2 GLU A 13 0.718 -10.825 7.480 1.00 3.45 H new ATOM 0 HG3 GLU A 13 1.600 -10.912 5.968 1.00 3.45 H new ATOM 221 N ARG A 14 2.118 -8.273 9.738 1.00 54.53 N ATOM 222 CA ARG A 14 1.123 -7.533 10.551 1.00 61.11 C ATOM 223 C ARG A 14 0.751 -6.183 9.907 1.00 44.42 C ATOM 224 O ARG A 14 -0.397 -5.727 10.013 1.00 62.53 O ATOM 225 CB ARG A 14 1.672 -7.322 11.994 1.00 44.11 C ATOM 226 CG ARG A 14 0.758 -6.509 12.947 1.00 33.23 C ATOM 227 CD ARG A 14 -0.591 -7.197 13.253 1.00 13.20 C ATOM 228 NE ARG A 14 -1.515 -6.286 13.955 1.00 45.03 N ATOM 229 CZ ARG A 14 -2.442 -6.637 14.862 1.00 45.51 C ATOM 230 NH1 ARG A 14 -2.611 -7.905 15.232 1.00 40.25 N ATOM 231 NH2 ARG A 14 -3.237 -5.706 15.360 1.00 40.54 N ATOM 0 H ARG A 14 2.947 -8.545 10.267 1.00 54.53 H new ATOM 0 HA ARG A 14 0.212 -8.130 10.598 1.00 61.11 H new ATOM 0 HB2 ARG A 14 1.854 -8.299 12.441 1.00 44.11 H new ATOM 0 HB3 ARG A 14 2.636 -6.818 11.926 1.00 44.11 H new ATOM 0 HG2 ARG A 14 1.288 -6.336 13.884 1.00 33.23 H new ATOM 0 HG3 ARG A 14 0.565 -5.532 12.505 1.00 33.23 H new ATOM 0 HD2 ARG A 14 -1.048 -7.535 12.323 1.00 13.20 H new ATOM 0 HD3 ARG A 14 -0.418 -8.083 13.863 1.00 13.20 H new ATOM 0 HE ARG A 14 -1.443 -5.294 13.730 1.00 45.03 H new ATOM 0 HH11 ARG A 14 -2.029 -8.637 14.825 1.00 40.25 H new ATOM 0 HH12 ARG A 14 -3.322 -8.144 15.923 1.00 40.25 H new ATOM 0 HH21 ARG A 14 -3.142 -4.737 15.055 1.00 40.54 H new ATOM 0 HH22 ARG A 14 -3.946 -5.956 16.049 1.00 40.54 H new ATOM 245 N GLU A 15 1.725 -5.586 9.207 1.00 74.23 N ATOM 246 CA GLU A 15 1.534 -4.321 8.507 1.00 64.34 C ATOM 247 C GLU A 15 0.575 -4.510 7.320 1.00 34.01 C ATOM 248 O GLU A 15 -0.463 -3.849 7.214 1.00 64.55 O ATOM 249 CB GLU A 15 2.903 -3.774 8.008 1.00 3.22 C ATOM 250 CG GLU A 15 4.055 -3.846 9.038 1.00 61.21 C ATOM 251 CD GLU A 15 3.728 -3.228 10.407 1.00 41.14 C ATOM 252 OE1 GLU A 15 3.749 -1.991 10.530 1.00 11.15 O ATOM 253 OE2 GLU A 15 3.465 -3.985 11.373 1.00 5.44 O ATOM 0 H GLU A 15 2.665 -5.971 9.114 1.00 74.23 H new ATOM 0 HA GLU A 15 1.097 -3.600 9.198 1.00 64.34 H new ATOM 0 HB2 GLU A 15 3.197 -4.331 7.119 1.00 3.22 H new ATOM 0 HB3 GLU A 15 2.773 -2.735 7.705 1.00 3.22 H new ATOM 0 HG2 GLU A 15 4.331 -4.890 9.182 1.00 61.21 H new ATOM 0 HG3 GLU A 15 4.927 -3.340 8.624 1.00 61.21 H new ATOM 260 N PHE A 16 0.922 -5.497 6.482 1.00 3.23 N ATOM 261 CA PHE A 16 0.307 -5.730 5.162 1.00 52.41 C ATOM 262 C PHE A 16 -1.106 -6.271 5.264 1.00 24.31 C ATOM 263 O PHE A 16 -1.970 -5.903 4.468 1.00 4.23 O ATOM 264 CB PHE A 16 1.193 -6.709 4.355 1.00 23.23 C ATOM 265 CG PHE A 16 2.552 -6.102 4.085 1.00 34.00 C ATOM 266 CD1 PHE A 16 2.739 -5.281 2.993 1.00 3.13 C ATOM 267 CD2 PHE A 16 3.609 -6.283 4.961 1.00 53.41 C ATOM 268 CE1 PHE A 16 3.939 -4.661 2.775 1.00 55.43 C ATOM 269 CE2 PHE A 16 4.819 -5.668 4.738 1.00 32.32 C ATOM 270 CZ PHE A 16 4.982 -4.850 3.647 1.00 44.01 C ATOM 0 H PHE A 16 1.654 -6.172 6.705 1.00 3.23 H new ATOM 0 HA PHE A 16 0.240 -4.769 4.652 1.00 52.41 H new ATOM 0 HB2 PHE A 16 1.309 -7.642 4.907 1.00 23.23 H new ATOM 0 HB3 PHE A 16 0.705 -6.955 3.412 1.00 23.23 H new ATOM 0 HD1 PHE A 16 1.926 -5.125 2.299 1.00 3.13 H new ATOM 0 HD2 PHE A 16 3.482 -6.914 5.828 1.00 53.41 H new ATOM 0 HE1 PHE A 16 4.066 -4.021 1.914 1.00 55.43 H new ATOM 0 HE2 PHE A 16 5.640 -5.828 5.421 1.00 32.32 H new ATOM 0 HZ PHE A 16 5.928 -4.357 3.476 1.00 44.01 H new ATOM 280 N ARG A 17 -1.328 -7.137 6.254 1.00 4.21 N ATOM 281 CA ARG A 17 -2.603 -7.840 6.419 1.00 10.44 C ATOM 282 C ARG A 17 -3.751 -6.836 6.669 1.00 74.41 C ATOM 283 O ARG A 17 -4.834 -6.992 6.117 1.00 15.43 O ATOM 284 CB ARG A 17 -2.490 -8.910 7.549 1.00 25.33 C ATOM 285 CG ARG A 17 -2.466 -8.371 9.013 1.00 40.21 C ATOM 286 CD ARG A 17 -3.825 -8.504 9.744 1.00 50.13 C ATOM 287 NE ARG A 17 -3.859 -7.730 11.000 1.00 12.10 N ATOM 288 CZ ARG A 17 -4.893 -7.711 11.868 1.00 10.12 C ATOM 289 NH1 ARG A 17 -5.974 -8.447 11.649 1.00 5.43 N ATOM 290 NH2 ARG A 17 -4.877 -6.890 12.905 1.00 62.44 N ATOM 0 H ARG A 17 -0.632 -7.371 6.962 1.00 4.21 H new ATOM 0 HA ARG A 17 -2.841 -8.369 5.496 1.00 10.44 H new ATOM 0 HB2 ARG A 17 -3.329 -9.599 7.452 1.00 25.33 H new ATOM 0 HB3 ARG A 17 -1.581 -9.488 7.383 1.00 25.33 H new ATOM 0 HG2 ARG A 17 -1.705 -8.910 9.577 1.00 40.21 H new ATOM 0 HG3 ARG A 17 -2.171 -7.322 9.000 1.00 40.21 H new ATOM 0 HD2 ARG A 17 -4.624 -8.162 9.087 1.00 50.13 H new ATOM 0 HD3 ARG A 17 -4.018 -9.555 9.961 1.00 50.13 H new ATOM 0 HE ARG A 17 -3.040 -7.167 11.230 1.00 12.10 H new ATOM 0 HH11 ARG A 17 -6.030 -9.036 10.818 1.00 5.43 H new ATOM 0 HH12 ARG A 17 -6.749 -8.425 12.312 1.00 5.43 H new ATOM 0 HH21 ARG A 17 -4.082 -6.268 13.051 1.00 62.44 H new ATOM 0 HH22 ARG A 17 -5.660 -6.879 13.559 1.00 62.44 H new ATOM 304 N GLU A 18 -3.457 -5.763 7.452 1.00 3.15 N ATOM 305 CA GLU A 18 -4.441 -4.722 7.816 1.00 61.25 C ATOM 306 C GLU A 18 -4.766 -3.846 6.602 1.00 21.03 C ATOM 307 O GLU A 18 -5.915 -3.375 6.447 1.00 73.55 O ATOM 308 CB GLU A 18 -3.908 -3.850 8.982 1.00 1.10 C ATOM 309 CG GLU A 18 -3.524 -4.667 10.233 1.00 45.22 C ATOM 310 CD GLU A 18 -3.122 -3.838 11.463 1.00 43.11 C ATOM 311 OE1 GLU A 18 -2.665 -2.692 11.313 1.00 62.43 O ATOM 312 OE2 GLU A 18 -3.245 -4.353 12.601 1.00 54.23 O ATOM 0 H GLU A 18 -2.530 -5.601 7.845 1.00 3.15 H new ATOM 0 HA GLU A 18 -5.356 -5.215 8.145 1.00 61.25 H new ATOM 0 HB2 GLU A 18 -3.036 -3.293 8.640 1.00 1.10 H new ATOM 0 HB3 GLU A 18 -4.668 -3.118 9.255 1.00 1.10 H new ATOM 0 HG2 GLU A 18 -4.367 -5.303 10.504 1.00 45.22 H new ATOM 0 HG3 GLU A 18 -2.696 -5.328 9.975 1.00 45.22 H new ATOM 319 N LEU A 19 -3.742 -3.616 5.747 1.00 42.52 N ATOM 320 CA LEU A 19 -3.946 -2.984 4.437 1.00 40.45 C ATOM 321 C LEU A 19 -4.945 -3.819 3.630 1.00 53.41 C ATOM 322 O LEU A 19 -6.018 -3.325 3.329 1.00 12.42 O ATOM 323 CB LEU A 19 -2.613 -2.810 3.643 1.00 11.45 C ATOM 324 CG LEU A 19 -1.786 -1.511 3.916 1.00 22.20 C ATOM 325 CD1 LEU A 19 -2.564 -0.233 3.521 1.00 15.30 C ATOM 326 CD2 LEU A 19 -1.288 -1.444 5.374 1.00 63.02 C ATOM 0 H LEU A 19 -2.772 -3.860 5.947 1.00 42.52 H new ATOM 0 HA LEU A 19 -4.341 -1.982 4.603 1.00 40.45 H new ATOM 0 HB2 LEU A 19 -1.976 -3.668 3.859 1.00 11.45 H new ATOM 0 HB3 LEU A 19 -2.846 -2.845 2.579 1.00 11.45 H new ATOM 0 HG LEU A 19 -0.905 -1.559 3.275 1.00 22.20 H new ATOM 0 HD11 LEU A 19 -1.951 0.644 3.728 1.00 15.30 H new ATOM 0 HD12 LEU A 19 -2.803 -0.266 2.458 1.00 15.30 H new ATOM 0 HD13 LEU A 19 -3.487 -0.176 4.098 1.00 15.30 H new ATOM 0 HD21 LEU A 19 -0.718 -0.527 5.522 1.00 63.02 H new ATOM 0 HD22 LEU A 19 -2.142 -1.454 6.051 1.00 63.02 H new ATOM 0 HD23 LEU A 19 -0.651 -2.304 5.581 1.00 63.02 H new ATOM 338 N ILE A 20 -4.604 -5.106 3.390 1.00 45.22 N ATOM 339 CA ILE A 20 -5.399 -6.028 2.542 1.00 63.30 C ATOM 340 C ILE A 20 -6.888 -6.063 2.958 1.00 45.43 C ATOM 341 O ILE A 20 -7.768 -6.020 2.088 1.00 23.40 O ATOM 342 CB ILE A 20 -4.800 -7.492 2.565 1.00 5.12 C ATOM 343 CG1 ILE A 20 -3.310 -7.514 2.066 1.00 55.02 C ATOM 344 CG2 ILE A 20 -5.671 -8.493 1.751 1.00 25.54 C ATOM 345 CD1 ILE A 20 -3.072 -7.029 0.642 1.00 62.55 C ATOM 0 H ILE A 20 -3.766 -5.537 3.780 1.00 45.22 H new ATOM 0 HA ILE A 20 -5.341 -5.640 1.525 1.00 63.30 H new ATOM 0 HB ILE A 20 -4.812 -7.818 3.605 1.00 5.12 H new ATOM 0 HG12 ILE A 20 -2.713 -6.901 2.741 1.00 55.02 H new ATOM 0 HG13 ILE A 20 -2.936 -8.535 2.148 1.00 55.02 H new ATOM 0 HG21 ILE A 20 -5.222 -9.485 1.795 1.00 25.54 H new ATOM 0 HG22 ILE A 20 -6.675 -8.530 2.175 1.00 25.54 H new ATOM 0 HG23 ILE A 20 -5.727 -8.166 0.713 1.00 25.54 H new ATOM 0 HD11 ILE A 20 -2.009 -7.090 0.410 1.00 62.55 H new ATOM 0 HD12 ILE A 20 -3.632 -7.654 -0.054 1.00 62.55 H new ATOM 0 HD13 ILE A 20 -3.405 -5.995 0.549 1.00 62.55 H new ATOM 357 N GLU A 21 -7.153 -6.086 4.291 1.00 2.42 N ATOM 358 CA GLU A 21 -8.527 -5.992 4.825 1.00 13.23 C ATOM 359 C GLU A 21 -9.213 -4.714 4.314 1.00 64.05 C ATOM 360 O GLU A 21 -10.230 -4.777 3.617 1.00 72.43 O ATOM 361 CB GLU A 21 -8.538 -5.996 6.378 1.00 72.43 C ATOM 362 CG GLU A 21 -7.804 -7.174 7.048 1.00 43.10 C ATOM 363 CD GLU A 21 -8.317 -8.569 6.630 1.00 34.44 C ATOM 364 OE1 GLU A 21 -7.808 -9.147 5.645 1.00 1.10 O ATOM 365 OE2 GLU A 21 -9.224 -9.105 7.305 1.00 53.24 O ATOM 0 H GLU A 21 -6.432 -6.169 5.008 1.00 2.42 H new ATOM 0 HA GLU A 21 -9.073 -6.868 4.474 1.00 13.23 H new ATOM 0 HB2 GLU A 21 -8.090 -5.066 6.729 1.00 72.43 H new ATOM 0 HB3 GLU A 21 -9.574 -5.998 6.716 1.00 72.43 H new ATOM 0 HG2 GLU A 21 -6.742 -7.106 6.812 1.00 43.10 H new ATOM 0 HG3 GLU A 21 -7.897 -7.076 8.130 1.00 43.10 H new ATOM 372 N ARG A 22 -8.588 -3.564 4.612 1.00 30.43 N ATOM 373 CA ARG A 22 -9.127 -2.243 4.261 1.00 51.23 C ATOM 374 C ARG A 22 -9.192 -2.006 2.732 1.00 3.00 C ATOM 375 O ARG A 22 -10.102 -1.334 2.272 1.00 2.23 O ATOM 376 CB ARG A 22 -8.315 -1.128 4.971 1.00 13.41 C ATOM 377 CG ARG A 22 -8.564 -1.024 6.497 1.00 52.42 C ATOM 378 CD ARG A 22 -10.029 -0.687 6.828 1.00 53.33 C ATOM 379 NE ARG A 22 -10.249 -0.378 8.252 1.00 3.33 N ATOM 380 CZ ARG A 22 -11.260 -0.845 9.000 1.00 33.54 C ATOM 381 NH1 ARG A 22 -12.172 -1.679 8.492 1.00 13.25 N ATOM 382 NH2 ARG A 22 -11.378 -0.435 10.251 1.00 72.15 N ATOM 0 H ARG A 22 -7.695 -3.525 5.103 1.00 30.43 H new ATOM 0 HA ARG A 22 -10.158 -2.210 4.614 1.00 51.23 H new ATOM 0 HB2 ARG A 22 -7.253 -1.305 4.800 1.00 13.41 H new ATOM 0 HB3 ARG A 22 -8.557 -0.170 4.510 1.00 13.41 H new ATOM 0 HG2 ARG A 22 -8.294 -1.967 6.972 1.00 52.42 H new ATOM 0 HG3 ARG A 22 -7.913 -0.258 6.918 1.00 52.42 H new ATOM 0 HD2 ARG A 22 -10.343 0.165 6.226 1.00 53.33 H new ATOM 0 HD3 ARG A 22 -10.661 -1.528 6.544 1.00 53.33 H new ATOM 0 HE ARG A 22 -9.578 0.242 8.706 1.00 3.33 H new ATOM 0 HH11 ARG A 22 -12.108 -1.973 7.517 1.00 13.25 H new ATOM 0 HH12 ARG A 22 -12.933 -2.022 9.079 1.00 13.25 H new ATOM 0 HH21 ARG A 22 -10.705 0.228 10.636 1.00 72.15 H new ATOM 0 HH22 ARG A 22 -12.142 -0.782 10.831 1.00 72.15 H new ATOM 396 N LEU A 23 -8.270 -2.616 1.955 1.00 12.53 N ATOM 397 CA LEU A 23 -8.197 -2.431 0.483 1.00 10.24 C ATOM 398 C LEU A 23 -9.389 -3.136 -0.192 1.00 21.20 C ATOM 399 O LEU A 23 -9.934 -2.652 -1.197 1.00 61.44 O ATOM 400 CB LEU A 23 -6.843 -2.963 -0.089 1.00 13.04 C ATOM 401 CG LEU A 23 -5.536 -2.284 0.454 1.00 55.40 C ATOM 402 CD1 LEU A 23 -4.273 -2.814 -0.265 1.00 43.44 C ATOM 403 CD2 LEU A 23 -5.622 -0.747 0.396 1.00 44.34 C ATOM 0 H LEU A 23 -7.559 -3.247 2.324 1.00 12.53 H new ATOM 0 HA LEU A 23 -8.247 -1.364 0.267 1.00 10.24 H new ATOM 0 HB2 LEU A 23 -6.783 -4.032 0.117 1.00 13.04 H new ATOM 0 HB3 LEU A 23 -6.862 -2.848 -1.173 1.00 13.04 H new ATOM 0 HG LEU A 23 -5.447 -2.560 1.505 1.00 55.40 H new ATOM 0 HD11 LEU A 23 -3.390 -2.320 0.139 1.00 43.44 H new ATOM 0 HD12 LEU A 23 -4.190 -3.890 -0.109 1.00 43.44 H new ATOM 0 HD13 LEU A 23 -4.348 -2.607 -1.332 1.00 43.44 H new ATOM 0 HD21 LEU A 23 -4.698 -0.316 0.781 1.00 44.34 H new ATOM 0 HD22 LEU A 23 -5.768 -0.429 -0.636 1.00 44.34 H new ATOM 0 HD23 LEU A 23 -6.461 -0.406 1.003 1.00 44.34 H new ATOM 415 N GLU A 24 -9.794 -4.275 0.402 1.00 2.02 N ATOM 416 CA GLU A 24 -11.015 -5.003 0.009 1.00 30.55 C ATOM 417 C GLU A 24 -12.277 -4.212 0.401 1.00 73.32 C ATOM 418 O GLU A 24 -13.321 -4.364 -0.217 1.00 13.15 O ATOM 419 CB GLU A 24 -11.039 -6.430 0.637 1.00 72.11 C ATOM 420 CG GLU A 24 -9.953 -7.391 0.102 1.00 1.14 C ATOM 421 CD GLU A 24 -9.973 -7.542 -1.430 1.00 34.12 C ATOM 422 OE1 GLU A 24 -10.894 -8.198 -1.965 1.00 60.25 O ATOM 423 OE2 GLU A 24 -9.074 -7.002 -2.111 1.00 72.13 O ATOM 0 H GLU A 24 -9.284 -4.716 1.167 1.00 2.02 H new ATOM 0 HA GLU A 24 -11.007 -5.111 -1.076 1.00 30.55 H new ATOM 0 HB2 GLU A 24 -10.923 -6.339 1.717 1.00 72.11 H new ATOM 0 HB3 GLU A 24 -12.018 -6.874 0.458 1.00 72.11 H new ATOM 0 HG2 GLU A 24 -8.973 -7.028 0.411 1.00 1.14 H new ATOM 0 HG3 GLU A 24 -10.089 -8.371 0.558 1.00 1.14 H new ATOM 430 N GLU A 25 -12.159 -3.373 1.432 1.00 64.50 N ATOM 431 CA GLU A 25 -13.263 -2.527 1.923 1.00 11.20 C ATOM 432 C GLU A 25 -13.339 -1.177 1.168 1.00 10.43 C ATOM 433 O GLU A 25 -14.397 -0.541 1.154 1.00 12.33 O ATOM 434 CB GLU A 25 -13.100 -2.315 3.447 1.00 73.15 C ATOM 435 CG GLU A 25 -13.153 -3.636 4.246 1.00 2.53 C ATOM 436 CD GLU A 25 -12.903 -3.464 5.750 1.00 22.44 C ATOM 437 OE1 GLU A 25 -11.740 -3.526 6.188 1.00 21.04 O ATOM 438 OE2 GLU A 25 -13.871 -3.266 6.507 1.00 70.22 O ATOM 0 H GLU A 25 -11.292 -3.256 1.957 1.00 64.50 H new ATOM 0 HA GLU A 25 -14.207 -3.037 1.730 1.00 11.20 H new ATOM 0 HB2 GLU A 25 -12.150 -1.817 3.640 1.00 73.15 H new ATOM 0 HB3 GLU A 25 -13.887 -1.649 3.802 1.00 73.15 H new ATOM 0 HG2 GLU A 25 -14.129 -4.098 4.101 1.00 2.53 H new ATOM 0 HG3 GLU A 25 -12.411 -4.324 3.841 1.00 2.53 H new ATOM 445 N GLU A 26 -12.227 -0.741 0.534 1.00 2.21 N ATOM 446 CA GLU A 26 -12.210 0.515 -0.253 1.00 31.00 C ATOM 447 C GLU A 26 -12.838 0.275 -1.632 1.00 55.30 C ATOM 448 O GLU A 26 -12.367 -0.580 -2.396 1.00 63.23 O ATOM 449 CB GLU A 26 -10.779 1.109 -0.398 1.00 3.12 C ATOM 450 CG GLU A 26 -10.057 1.421 0.934 1.00 43.33 C ATOM 451 CD GLU A 26 -10.949 2.139 1.970 1.00 62.01 C ATOM 452 OE1 GLU A 26 -11.143 3.369 1.857 1.00 74.51 O ATOM 453 OE2 GLU A 26 -11.476 1.478 2.898 1.00 4.51 O ATOM 0 H GLU A 26 -11.335 -1.236 0.551 1.00 2.21 H new ATOM 0 HA GLU A 26 -12.800 1.251 0.293 1.00 31.00 H new ATOM 0 HB2 GLU A 26 -10.168 0.409 -0.968 1.00 3.12 H new ATOM 0 HB3 GLU A 26 -10.842 2.027 -0.983 1.00 3.12 H new ATOM 0 HG2 GLU A 26 -9.692 0.489 1.366 1.00 43.33 H new ATOM 0 HG3 GLU A 26 -9.184 2.041 0.728 1.00 43.33 H new ATOM 460 N ARG A 27 -13.913 1.033 -1.937 1.00 65.21 N ATOM 461 CA ARG A 27 -14.694 0.861 -3.178 1.00 53.24 C ATOM 462 C ARG A 27 -14.152 1.829 -4.264 1.00 25.11 C ATOM 463 O ARG A 27 -13.716 2.927 -3.911 1.00 54.11 O ATOM 464 CB ARG A 27 -16.220 1.099 -2.919 1.00 11.42 C ATOM 465 CG ARG A 27 -16.813 0.413 -1.657 1.00 1.51 C ATOM 466 CD ARG A 27 -16.349 -1.045 -1.439 1.00 5.32 C ATOM 467 NE ARG A 27 -16.562 -1.920 -2.611 1.00 34.14 N ATOM 468 CZ ARG A 27 -15.769 -2.958 -2.951 1.00 14.41 C ATOM 469 NH1 ARG A 27 -14.698 -3.265 -2.229 1.00 1.23 N ATOM 470 NH2 ARG A 27 -16.055 -3.692 -4.013 1.00 0.15 N ATOM 0 H ARG A 27 -14.261 1.777 -1.333 1.00 65.21 H new ATOM 0 HA ARG A 27 -14.583 -0.165 -3.530 1.00 53.24 H new ATOM 0 HB2 ARG A 27 -16.391 2.172 -2.839 1.00 11.42 H new ATOM 0 HB3 ARG A 27 -16.774 0.752 -3.791 1.00 11.42 H new ATOM 0 HG2 ARG A 27 -16.544 1.001 -0.780 1.00 1.51 H new ATOM 0 HG3 ARG A 27 -17.901 0.427 -1.729 1.00 1.51 H new ATOM 0 HD2 ARG A 27 -15.289 -1.045 -1.185 1.00 5.32 H new ATOM 0 HD3 ARG A 27 -16.882 -1.462 -0.584 1.00 5.32 H new ATOM 0 HE ARG A 27 -17.367 -1.725 -3.206 1.00 34.14 H new ATOM 0 HH11 ARG A 27 -14.464 -2.713 -1.404 1.00 1.23 H new ATOM 0 HH12 ARG A 27 -14.109 -4.053 -2.500 1.00 1.23 H new ATOM 0 HH21 ARG A 27 -16.876 -3.474 -4.577 1.00 0.15 H new ATOM 0 HH22 ARG A 27 -15.454 -4.476 -4.268 1.00 0.15 H new ATOM 484 N PRO A 28 -14.171 1.477 -5.599 1.00 75.01 N ATOM 485 CA PRO A 28 -14.799 0.236 -6.151 1.00 32.31 C ATOM 486 C PRO A 28 -13.969 -1.049 -5.899 1.00 33.31 C ATOM 487 O PRO A 28 -14.541 -2.126 -5.770 1.00 45.31 O ATOM 488 CB PRO A 28 -14.899 0.559 -7.663 1.00 43.22 C ATOM 489 CG PRO A 28 -13.724 1.447 -7.936 1.00 20.00 C ATOM 490 CD PRO A 28 -13.555 2.301 -6.688 1.00 62.45 C ATOM 0 HA PRO A 28 -15.753 0.012 -5.675 1.00 32.31 H new ATOM 0 HB2 PRO A 28 -14.859 -0.348 -8.266 1.00 43.22 H new ATOM 0 HB3 PRO A 28 -15.838 1.059 -7.901 1.00 43.22 H new ATOM 0 HG2 PRO A 28 -12.827 0.860 -8.133 1.00 20.00 H new ATOM 0 HG3 PRO A 28 -13.898 2.068 -8.815 1.00 20.00 H new ATOM 0 HD2 PRO A 28 -12.504 2.509 -6.486 1.00 62.45 H new ATOM 0 HD3 PRO A 28 -14.056 3.264 -6.792 1.00 62.45 H new ATOM 498 N SER A 29 -12.636 -0.891 -5.821 1.00 34.13 N ATOM 499 CA SER A 29 -11.664 -1.975 -5.577 1.00 52.03 C ATOM 500 C SER A 29 -10.258 -1.374 -5.690 1.00 50.30 C ATOM 501 O SER A 29 -10.018 -0.527 -6.561 1.00 64.32 O ATOM 502 CB SER A 29 -11.825 -3.154 -6.590 1.00 1.55 C ATOM 503 OG SER A 29 -10.840 -4.168 -6.390 1.00 41.32 O ATOM 0 H SER A 29 -12.191 0.020 -5.929 1.00 34.13 H new ATOM 0 HA SER A 29 -11.838 -2.391 -4.585 1.00 52.03 H new ATOM 0 HB2 SER A 29 -12.819 -3.589 -6.486 1.00 1.55 H new ATOM 0 HB3 SER A 29 -11.750 -2.771 -7.608 1.00 1.55 H new ATOM 0 HG SER A 29 -10.975 -4.888 -7.041 1.00 41.32 H new ATOM 509 N VAL A 30 -9.338 -1.796 -4.816 1.00 2.32 N ATOM 510 CA VAL A 30 -7.931 -1.368 -4.878 1.00 12.24 C ATOM 511 C VAL A 30 -7.102 -2.396 -5.666 1.00 53.32 C ATOM 512 O VAL A 30 -7.107 -3.585 -5.333 1.00 43.14 O ATOM 513 CB VAL A 30 -7.325 -1.175 -3.438 1.00 55.21 C ATOM 514 CG1 VAL A 30 -5.812 -0.848 -3.483 1.00 42.33 C ATOM 515 CG2 VAL A 30 -8.102 -0.090 -2.658 1.00 14.34 C ATOM 0 H VAL A 30 -9.542 -2.439 -4.051 1.00 2.32 H new ATOM 0 HA VAL A 30 -7.894 -0.406 -5.389 1.00 12.24 H new ATOM 0 HB VAL A 30 -7.432 -2.123 -2.911 1.00 55.21 H new ATOM 0 HG11 VAL A 30 -5.436 -0.723 -2.467 1.00 42.33 H new ATOM 0 HG12 VAL A 30 -5.278 -1.664 -3.970 1.00 42.33 H new ATOM 0 HG13 VAL A 30 -5.655 0.074 -4.044 1.00 42.33 H new ATOM 0 HG21 VAL A 30 -7.666 0.027 -1.666 1.00 14.34 H new ATOM 0 HG22 VAL A 30 -8.042 0.857 -3.195 1.00 14.34 H new ATOM 0 HG23 VAL A 30 -9.146 -0.388 -2.563 1.00 14.34 H new ATOM 525 N GLN A 31 -6.422 -1.916 -6.723 1.00 75.43 N ATOM 526 CA GLN A 31 -5.425 -2.698 -7.471 1.00 25.33 C ATOM 527 C GLN A 31 -4.171 -2.840 -6.595 1.00 72.54 C ATOM 528 O GLN A 31 -3.698 -1.835 -6.051 1.00 34.22 O ATOM 529 CB GLN A 31 -5.038 -1.974 -8.789 1.00 11.21 C ATOM 530 CG GLN A 31 -6.208 -1.569 -9.697 1.00 31.34 C ATOM 531 CD GLN A 31 -5.771 -0.655 -10.849 1.00 0.05 C ATOM 532 OE1 GLN A 31 -5.428 -1.123 -11.937 1.00 62.42 O ATOM 533 NE2 GLN A 31 -5.747 0.650 -10.601 1.00 53.45 N ATOM 0 H GLN A 31 -6.550 -0.970 -7.083 1.00 75.43 H new ATOM 0 HA GLN A 31 -5.843 -3.674 -7.719 1.00 25.33 H new ATOM 0 HB2 GLN A 31 -4.472 -1.078 -8.536 1.00 11.21 H new ATOM 0 HB3 GLN A 31 -4.371 -2.623 -9.356 1.00 11.21 H new ATOM 0 HG2 GLN A 31 -6.673 -2.466 -10.106 1.00 31.34 H new ATOM 0 HG3 GLN A 31 -6.966 -1.060 -9.102 1.00 31.34 H new ATOM 0 HE21 GLN A 31 -6.038 1.001 -9.689 1.00 53.45 H new ATOM 0 HE22 GLN A 31 -5.437 1.301 -11.323 1.00 53.45 H new ATOM 542 N TYR A 32 -3.645 -4.066 -6.450 1.00 54.31 N ATOM 543 CA TYR A 32 -2.412 -4.291 -5.681 1.00 15.41 C ATOM 544 C TYR A 32 -1.713 -5.604 -6.071 1.00 21.43 C ATOM 545 O TYR A 32 -2.338 -6.538 -6.594 1.00 12.23 O ATOM 546 CB TYR A 32 -2.682 -4.214 -4.149 1.00 2.40 C ATOM 547 CG TYR A 32 -3.666 -5.244 -3.555 1.00 50.41 C ATOM 548 CD1 TYR A 32 -3.256 -6.544 -3.235 1.00 20.35 C ATOM 549 CD2 TYR A 32 -4.994 -4.904 -3.276 1.00 43.22 C ATOM 550 CE1 TYR A 32 -4.126 -7.456 -2.677 1.00 60.24 C ATOM 551 CE2 TYR A 32 -5.865 -5.817 -2.705 1.00 63.45 C ATOM 552 CZ TYR A 32 -5.422 -7.092 -2.409 1.00 34.41 C ATOM 553 OH TYR A 32 -6.277 -8.009 -1.830 1.00 3.31 O ATOM 0 H TYR A 32 -4.051 -4.911 -6.852 1.00 54.31 H new ATOM 0 HA TYR A 32 -1.723 -3.486 -5.937 1.00 15.41 H new ATOM 0 HB2 TYR A 32 -1.728 -4.320 -3.632 1.00 2.40 H new ATOM 0 HB3 TYR A 32 -3.058 -3.217 -3.922 1.00 2.40 H new ATOM 0 HD1 TYR A 32 -2.235 -6.839 -3.430 1.00 20.35 H new ATOM 0 HD2 TYR A 32 -5.347 -3.911 -3.510 1.00 43.22 H new ATOM 0 HE1 TYR A 32 -3.788 -8.457 -2.451 1.00 60.24 H new ATOM 0 HE2 TYR A 32 -6.885 -5.534 -2.492 1.00 63.45 H new ATOM 0 HH TYR A 32 -7.200 -7.689 -1.905 1.00 3.31 H new ATOM 563 N THR A 33 -0.402 -5.641 -5.793 1.00 2.54 N ATOM 564 CA THR A 33 0.479 -6.780 -6.060 1.00 2.23 C ATOM 565 C THR A 33 1.521 -6.840 -4.929 1.00 65.43 C ATOM 566 O THR A 33 2.382 -5.962 -4.832 1.00 34.21 O ATOM 567 CB THR A 33 1.201 -6.616 -7.451 1.00 4.31 C ATOM 568 OG1 THR A 33 0.228 -6.443 -8.494 1.00 51.43 O ATOM 569 CG2 THR A 33 2.098 -7.820 -7.789 1.00 31.53 C ATOM 0 H THR A 33 0.086 -4.855 -5.364 1.00 2.54 H new ATOM 0 HA THR A 33 -0.104 -7.700 -6.098 1.00 2.23 H new ATOM 0 HB THR A 33 1.837 -5.734 -7.379 1.00 4.31 H new ATOM 0 HG1 THR A 33 0.686 -6.340 -9.354 1.00 51.43 H new ATOM 0 HG21 THR A 33 2.573 -7.659 -8.757 1.00 31.53 H new ATOM 0 HG22 THR A 33 2.865 -7.929 -7.022 1.00 31.53 H new ATOM 0 HG23 THR A 33 1.492 -8.725 -7.828 1.00 31.53 H new ATOM 577 N GLU A 34 1.442 -7.871 -4.086 1.00 12.44 N ATOM 578 CA GLU A 34 2.298 -7.999 -2.889 1.00 74.42 C ATOM 579 C GLU A 34 3.293 -9.160 -3.113 1.00 30.30 C ATOM 580 O GLU A 34 2.889 -10.249 -3.526 1.00 15.33 O ATOM 581 CB GLU A 34 1.378 -8.193 -1.640 1.00 72.14 C ATOM 582 CG GLU A 34 2.064 -8.056 -0.255 1.00 63.32 C ATOM 583 CD GLU A 34 2.974 -9.233 0.116 1.00 4.20 C ATOM 584 OE1 GLU A 34 2.473 -10.373 0.146 1.00 20.12 O ATOM 585 OE2 GLU A 34 4.181 -9.034 0.321 1.00 51.13 O ATOM 0 H GLU A 34 0.787 -8.643 -4.207 1.00 12.44 H new ATOM 0 HA GLU A 34 2.893 -7.103 -2.711 1.00 74.42 H new ATOM 0 HB2 GLU A 34 0.568 -7.465 -1.695 1.00 72.14 H new ATOM 0 HB3 GLU A 34 0.923 -9.181 -1.700 1.00 72.14 H new ATOM 0 HG2 GLU A 34 2.653 -7.139 -0.243 1.00 63.32 H new ATOM 0 HG3 GLU A 34 1.295 -7.951 0.510 1.00 63.32 H new ATOM 592 N THR A 35 4.592 -8.904 -2.867 1.00 14.32 N ATOM 593 CA THR A 35 5.694 -9.845 -3.173 1.00 13.44 C ATOM 594 C THR A 35 6.821 -9.711 -2.123 1.00 64.23 C ATOM 595 O THR A 35 7.153 -8.604 -1.719 1.00 55.05 O ATOM 596 CB THR A 35 6.277 -9.540 -4.602 1.00 13.34 C ATOM 597 OG1 THR A 35 5.226 -9.554 -5.585 1.00 13.34 O ATOM 598 CG2 THR A 35 7.372 -10.536 -5.028 1.00 34.11 C ATOM 0 H THR A 35 4.912 -8.031 -2.447 1.00 14.32 H new ATOM 0 HA THR A 35 5.300 -10.861 -3.148 1.00 13.44 H new ATOM 0 HB THR A 35 6.731 -8.551 -4.542 1.00 13.34 H new ATOM 0 HG1 THR A 35 5.602 -9.361 -6.469 1.00 13.34 H new ATOM 0 HG21 THR A 35 7.735 -10.274 -6.022 1.00 34.11 H new ATOM 0 HG22 THR A 35 8.198 -10.495 -4.317 1.00 34.11 H new ATOM 0 HG23 THR A 35 6.959 -11.545 -5.047 1.00 34.11 H new ATOM 606 N THR A 36 7.404 -10.840 -1.690 1.00 2.52 N ATOM 607 CA THR A 36 8.570 -10.842 -0.782 1.00 74.53 C ATOM 608 C THR A 36 9.887 -10.828 -1.593 1.00 62.24 C ATOM 609 O THR A 36 10.153 -11.761 -2.359 1.00 51.13 O ATOM 610 CB THR A 36 8.529 -12.091 0.163 1.00 21.13 C ATOM 611 OG1 THR A 36 7.285 -12.104 0.889 1.00 2.43 O ATOM 612 CG2 THR A 36 9.696 -12.102 1.170 1.00 41.43 C ATOM 0 H THR A 36 7.086 -11.772 -1.955 1.00 2.52 H new ATOM 0 HA THR A 36 8.528 -9.942 -0.169 1.00 74.53 H new ATOM 0 HB THR A 36 8.620 -12.977 -0.466 1.00 21.13 H new ATOM 0 HG1 THR A 36 7.259 -12.886 1.479 1.00 2.43 H new ATOM 0 HG21 THR A 36 9.623 -12.987 1.802 1.00 41.43 H new ATOM 0 HG22 THR A 36 10.643 -12.119 0.630 1.00 41.43 H new ATOM 0 HG23 THR A 36 9.649 -11.208 1.791 1.00 41.43 H new ATOM 620 N ARG A 37 10.689 -9.757 -1.430 1.00 11.44 N ATOM 621 CA ARG A 37 11.983 -9.590 -2.133 1.00 72.35 C ATOM 622 C ARG A 37 13.049 -9.003 -1.177 1.00 61.21 C ATOM 623 O ARG A 37 12.812 -7.971 -0.539 1.00 55.22 O ATOM 624 CB ARG A 37 11.809 -8.650 -3.360 1.00 14.42 C ATOM 625 CG ARG A 37 13.066 -8.521 -4.250 1.00 62.12 C ATOM 626 CD ARG A 37 12.921 -7.462 -5.360 1.00 44.25 C ATOM 627 NE ARG A 37 14.136 -7.358 -6.187 1.00 45.21 N ATOM 628 CZ ARG A 37 14.292 -6.526 -7.240 1.00 62.02 C ATOM 629 NH1 ARG A 37 13.308 -5.703 -7.630 1.00 13.44 N ATOM 630 NH2 ARG A 37 15.442 -6.522 -7.904 1.00 14.25 N ATOM 0 H ARG A 37 10.461 -8.982 -0.808 1.00 11.44 H new ATOM 0 HA ARG A 37 12.316 -10.570 -2.474 1.00 72.35 H new ATOM 0 HB2 ARG A 37 10.984 -9.018 -3.970 1.00 14.42 H new ATOM 0 HB3 ARG A 37 11.527 -7.659 -3.006 1.00 14.42 H new ATOM 0 HG2 ARG A 37 13.921 -8.266 -3.624 1.00 62.12 H new ATOM 0 HG3 ARG A 37 13.281 -9.488 -4.706 1.00 62.12 H new ATOM 0 HD2 ARG A 37 12.072 -7.716 -5.994 1.00 44.25 H new ATOM 0 HD3 ARG A 37 12.705 -6.493 -4.910 1.00 44.25 H new ATOM 0 HE ARG A 37 14.922 -7.962 -5.945 1.00 45.21 H new ATOM 0 HH11 ARG A 37 12.420 -5.697 -7.129 1.00 13.44 H new ATOM 0 HH12 ARG A 37 13.448 -5.083 -8.428 1.00 13.44 H new ATOM 0 HH21 ARG A 37 16.198 -7.144 -7.618 1.00 14.25 H new ATOM 0 HH22 ARG A 37 15.569 -5.897 -8.700 1.00 14.25 H new ATOM 644 N ASN A 38 14.212 -9.684 -1.100 1.00 33.14 N ATOM 645 CA ASN A 38 15.425 -9.211 -0.376 1.00 61.11 C ATOM 646 C ASN A 38 15.231 -9.237 1.163 1.00 72.01 C ATOM 647 O ASN A 38 15.786 -8.393 1.884 1.00 4.40 O ATOM 648 CB ASN A 38 15.879 -7.790 -0.863 1.00 3.12 C ATOM 649 CG ASN A 38 16.101 -7.653 -2.382 1.00 3.01 C ATOM 650 OD1 ASN A 38 15.915 -6.574 -2.949 1.00 72.41 O ATOM 651 ND2 ASN A 38 16.468 -8.733 -3.055 1.00 61.02 N ATOM 0 H ASN A 38 14.343 -10.593 -1.544 1.00 33.14 H new ATOM 0 HA ASN A 38 16.224 -9.913 -0.616 1.00 61.11 H new ATOM 0 HB2 ASN A 38 15.129 -7.062 -0.555 1.00 3.12 H new ATOM 0 HB3 ASN A 38 16.806 -7.528 -0.352 1.00 3.12 H new ATOM 0 HD21 ASN A 38 16.603 -8.683 -4.065 1.00 61.02 H new ATOM 0 HD22 ASN A 38 16.616 -9.614 -2.563 1.00 61.02 H new ATOM 658 N GLY A 39 14.452 -10.225 1.652 1.00 1.12 N ATOM 659 CA GLY A 39 14.245 -10.435 3.097 1.00 31.22 C ATOM 660 C GLY A 39 13.040 -9.686 3.657 1.00 23.53 C ATOM 661 O GLY A 39 12.528 -10.032 4.729 1.00 45.20 O ATOM 0 H GLY A 39 13.955 -10.892 1.062 1.00 1.12 H new ATOM 0 HA2 GLY A 39 14.120 -11.501 3.286 1.00 31.22 H new ATOM 0 HA3 GLY A 39 15.140 -10.119 3.633 1.00 31.22 H new ATOM 665 N ARG A 40 12.583 -8.659 2.926 1.00 61.13 N ATOM 666 CA ARG A 40 11.412 -7.840 3.296 1.00 34.13 C ATOM 667 C ARG A 40 10.339 -8.001 2.216 1.00 44.23 C ATOM 668 O ARG A 40 10.661 -8.184 1.043 1.00 11.44 O ATOM 669 CB ARG A 40 11.825 -6.351 3.427 1.00 21.13 C ATOM 670 CG ARG A 40 12.903 -6.075 4.500 1.00 24.11 C ATOM 671 CD ARG A 40 13.458 -4.642 4.425 1.00 74.43 C ATOM 672 NE ARG A 40 14.057 -4.353 3.108 1.00 72.31 N ATOM 673 CZ ARG A 40 14.818 -3.284 2.809 1.00 62.32 C ATOM 674 NH1 ARG A 40 15.108 -2.356 3.731 1.00 32.24 N ATOM 675 NH2 ARG A 40 15.281 -3.148 1.569 1.00 21.43 N ATOM 0 H ARG A 40 13.019 -8.368 2.051 1.00 61.13 H new ATOM 0 HA ARG A 40 11.017 -8.171 4.256 1.00 34.13 H new ATOM 0 HB2 ARG A 40 12.194 -6.004 2.462 1.00 21.13 H new ATOM 0 HB3 ARG A 40 10.939 -5.761 3.661 1.00 21.13 H new ATOM 0 HG2 ARG A 40 12.478 -6.245 5.489 1.00 24.11 H new ATOM 0 HG3 ARG A 40 13.721 -6.785 4.379 1.00 24.11 H new ATOM 0 HD2 ARG A 40 12.656 -3.931 4.623 1.00 74.43 H new ATOM 0 HD3 ARG A 40 14.208 -4.502 5.204 1.00 74.43 H new ATOM 0 HE ARG A 40 13.879 -5.022 2.359 1.00 72.31 H new ATOM 0 HH11 ARG A 40 14.750 -2.452 4.681 1.00 32.24 H new ATOM 0 HH12 ARG A 40 15.687 -1.554 3.483 1.00 32.24 H new ATOM 0 HH21 ARG A 40 15.058 -3.848 0.862 1.00 21.43 H new ATOM 0 HH22 ARG A 40 15.859 -2.344 1.326 1.00 21.43 H new ATOM 689 N ARG A 41 9.069 -7.947 2.610 1.00 0.50 N ATOM 690 CA ARG A 41 7.942 -8.027 1.668 1.00 25.25 C ATOM 691 C ARG A 41 7.425 -6.613 1.330 1.00 5.01 C ATOM 692 O ARG A 41 7.616 -5.666 2.115 1.00 31.54 O ATOM 693 CB ARG A 41 6.838 -8.952 2.243 1.00 55.31 C ATOM 694 CG ARG A 41 6.223 -8.489 3.565 1.00 1.32 C ATOM 695 CD ARG A 41 5.317 -9.545 4.210 1.00 22.32 C ATOM 696 NE ARG A 41 4.180 -9.949 3.367 1.00 35.23 N ATOM 697 CZ ARG A 41 3.444 -11.060 3.574 1.00 22.45 C ATOM 698 NH1 ARG A 41 3.734 -11.884 4.586 1.00 55.34 N ATOM 699 NH2 ARG A 41 2.404 -11.329 2.791 1.00 32.42 N ATOM 0 H ARG A 41 8.787 -7.847 3.585 1.00 0.50 H new ATOM 0 HA ARG A 41 8.275 -8.470 0.730 1.00 25.25 H new ATOM 0 HB2 ARG A 41 6.043 -9.045 1.504 1.00 55.31 H new ATOM 0 HB3 ARG A 41 7.258 -9.948 2.385 1.00 55.31 H new ATOM 0 HG2 ARG A 41 7.022 -8.231 4.260 1.00 1.32 H new ATOM 0 HG3 ARG A 41 5.646 -7.581 3.392 1.00 1.32 H new ATOM 0 HD2 ARG A 41 5.913 -10.426 4.446 1.00 22.32 H new ATOM 0 HD3 ARG A 41 4.937 -9.156 5.154 1.00 22.32 H new ATOM 0 HE ARG A 41 3.934 -9.352 2.578 1.00 35.23 H new ATOM 0 HH11 ARG A 41 4.516 -11.674 5.207 1.00 55.34 H new ATOM 0 HH12 ARG A 41 3.174 -12.723 4.737 1.00 55.34 H new ATOM 0 HH21 ARG A 41 2.160 -10.694 2.031 1.00 32.42 H new ATOM 0 HH22 ARG A 41 1.850 -12.170 2.951 1.00 32.42 H new ATOM 713 N GLN A 42 6.807 -6.466 0.141 1.00 21.30 N ATOM 714 CA GLN A 42 6.409 -5.158 -0.409 1.00 41.02 C ATOM 715 C GLN A 42 5.001 -5.222 -1.018 1.00 70.02 C ATOM 716 O GLN A 42 4.699 -6.126 -1.799 1.00 52.12 O ATOM 717 CB GLN A 42 7.444 -4.654 -1.467 1.00 12.03 C ATOM 718 CG GLN A 42 7.777 -5.666 -2.585 1.00 55.03 C ATOM 719 CD GLN A 42 8.732 -5.124 -3.652 1.00 32.25 C ATOM 720 OE1 GLN A 42 9.953 -5.199 -3.503 1.00 0.55 O ATOM 721 NE2 GLN A 42 8.178 -4.604 -4.747 1.00 63.03 N ATOM 0 H GLN A 42 6.570 -7.252 -0.464 1.00 21.30 H new ATOM 0 HA GLN A 42 6.391 -4.444 0.415 1.00 41.02 H new ATOM 0 HB2 GLN A 42 7.059 -3.743 -1.925 1.00 12.03 H new ATOM 0 HB3 GLN A 42 8.367 -4.387 -0.952 1.00 12.03 H new ATOM 0 HG2 GLN A 42 8.218 -6.556 -2.136 1.00 55.03 H new ATOM 0 HG3 GLN A 42 6.850 -5.978 -3.066 1.00 55.03 H new ATOM 0 HE21 GLN A 42 7.163 -4.560 -4.833 1.00 63.03 H new ATOM 0 HE22 GLN A 42 8.769 -4.250 -5.499 1.00 63.03 H new ATOM 730 N LEU A 43 4.142 -4.254 -0.654 1.00 21.05 N ATOM 731 CA LEU A 43 2.783 -4.132 -1.207 1.00 64.32 C ATOM 732 C LEU A 43 2.801 -3.012 -2.255 1.00 1.53 C ATOM 733 O LEU A 43 2.956 -1.837 -1.909 1.00 2.15 O ATOM 734 CB LEU A 43 1.761 -3.830 -0.063 1.00 70.11 C ATOM 735 CG LEU A 43 0.369 -4.540 -0.143 1.00 34.32 C ATOM 736 CD1 LEU A 43 -0.485 -4.245 1.109 1.00 42.10 C ATOM 737 CD2 LEU A 43 -0.388 -4.171 -1.423 1.00 2.21 C ATOM 0 H LEU A 43 4.371 -3.535 0.032 1.00 21.05 H new ATOM 0 HA LEU A 43 2.471 -5.064 -1.678 1.00 64.32 H new ATOM 0 HB2 LEU A 43 2.225 -4.102 0.885 1.00 70.11 H new ATOM 0 HB3 LEU A 43 1.590 -2.754 -0.038 1.00 70.11 H new ATOM 0 HG LEU A 43 0.560 -5.613 -0.175 1.00 34.32 H new ATOM 0 HD11 LEU A 43 -1.446 -4.753 1.022 1.00 42.10 H new ATOM 0 HD12 LEU A 43 0.036 -4.603 1.997 1.00 42.10 H new ATOM 0 HD13 LEU A 43 -0.649 -3.171 1.193 1.00 42.10 H new ATOM 0 HD21 LEU A 43 -1.349 -4.685 -1.439 1.00 2.21 H new ATOM 0 HD22 LEU A 43 -0.553 -3.094 -1.451 1.00 2.21 H new ATOM 0 HD23 LEU A 43 0.198 -4.471 -2.292 1.00 2.21 H new ATOM 749 N THR A 44 2.665 -3.389 -3.525 1.00 11.13 N ATOM 750 CA THR A 44 2.702 -2.457 -4.649 1.00 61.11 C ATOM 751 C THR A 44 1.260 -2.192 -5.131 1.00 53.15 C ATOM 752 O THR A 44 0.651 -3.025 -5.798 1.00 43.34 O ATOM 753 CB THR A 44 3.609 -3.031 -5.787 1.00 33.50 C ATOM 754 OG1 THR A 44 4.934 -3.264 -5.258 1.00 63.31 O ATOM 755 CG2 THR A 44 3.707 -2.094 -7.002 1.00 64.44 C ATOM 0 H THR A 44 2.525 -4.360 -3.805 1.00 11.13 H new ATOM 0 HA THR A 44 3.136 -1.506 -4.341 1.00 61.11 H new ATOM 0 HB THR A 44 3.153 -3.959 -6.132 1.00 33.50 H new ATOM 0 HG1 THR A 44 5.360 -3.994 -5.753 1.00 63.31 H new ATOM 0 HG21 THR A 44 4.349 -2.545 -7.759 1.00 64.44 H new ATOM 0 HG22 THR A 44 2.713 -1.933 -7.419 1.00 64.44 H new ATOM 0 HG23 THR A 44 4.129 -1.138 -6.691 1.00 64.44 H new ATOM 763 N ILE A 45 0.742 -1.016 -4.768 1.00 20.43 N ATOM 764 CA ILE A 45 -0.649 -0.602 -5.014 1.00 35.43 C ATOM 765 C ILE A 45 -0.692 0.274 -6.274 1.00 2.05 C ATOM 766 O ILE A 45 0.192 1.093 -6.479 1.00 4.34 O ATOM 767 CB ILE A 45 -1.180 0.200 -3.760 1.00 13.23 C ATOM 768 CG1 ILE A 45 -1.154 -0.722 -2.496 1.00 34.32 C ATOM 769 CG2 ILE A 45 -2.583 0.815 -3.999 1.00 31.22 C ATOM 770 CD1 ILE A 45 -1.481 -0.040 -1.183 1.00 21.53 C ATOM 0 H ILE A 45 1.289 -0.305 -4.283 1.00 20.43 H new ATOM 0 HA ILE A 45 -1.285 -1.474 -5.167 1.00 35.43 H new ATOM 0 HB ILE A 45 -0.513 1.045 -3.591 1.00 13.23 H new ATOM 0 HG12 ILE A 45 -1.862 -1.537 -2.648 1.00 34.32 H new ATOM 0 HG13 ILE A 45 -0.164 -1.170 -2.415 1.00 34.32 H new ATOM 0 HG21 ILE A 45 -2.900 1.355 -3.107 1.00 31.22 H new ATOM 0 HG22 ILE A 45 -2.540 1.503 -4.843 1.00 31.22 H new ATOM 0 HG23 ILE A 45 -3.297 0.020 -4.215 1.00 31.22 H new ATOM 0 HD11 ILE A 45 -1.435 -0.768 -0.373 1.00 21.53 H new ATOM 0 HD12 ILE A 45 -0.760 0.756 -0.997 1.00 21.53 H new ATOM 0 HD13 ILE A 45 -2.484 0.384 -1.233 1.00 21.53 H new ATOM 782 N ARG A 46 -1.705 0.066 -7.125 1.00 24.31 N ATOM 783 CA ARG A 46 -1.907 0.839 -8.362 1.00 41.40 C ATOM 784 C ARG A 46 -3.250 1.586 -8.260 1.00 74.24 C ATOM 785 O ARG A 46 -4.243 1.038 -7.757 1.00 13.33 O ATOM 786 CB ARG A 46 -1.873 -0.115 -9.587 1.00 50.04 C ATOM 787 CG ARG A 46 -0.566 -0.938 -9.706 1.00 21.25 C ATOM 788 CD ARG A 46 -0.598 -1.961 -10.855 1.00 55.10 C ATOM 789 NE ARG A 46 0.625 -2.791 -10.891 1.00 64.42 N ATOM 790 CZ ARG A 46 0.658 -4.130 -11.030 1.00 61.14 C ATOM 791 NH1 ARG A 46 -0.470 -4.832 -11.146 1.00 15.22 N ATOM 792 NH2 ARG A 46 1.824 -4.761 -11.047 1.00 50.12 N ATOM 0 H ARG A 46 -2.416 -0.650 -6.975 1.00 24.31 H new ATOM 0 HA ARG A 46 -1.110 1.571 -8.493 1.00 41.40 H new ATOM 0 HB2 ARG A 46 -2.718 -0.801 -9.525 1.00 50.04 H new ATOM 0 HB3 ARG A 46 -2.005 0.472 -10.496 1.00 50.04 H new ATOM 0 HG2 ARG A 46 0.272 -0.258 -9.857 1.00 21.25 H new ATOM 0 HG3 ARG A 46 -0.387 -1.461 -8.767 1.00 21.25 H new ATOM 0 HD2 ARG A 46 -1.470 -2.605 -10.743 1.00 55.10 H new ATOM 0 HD3 ARG A 46 -0.709 -1.437 -11.804 1.00 55.10 H new ATOM 0 HE ARG A 46 1.519 -2.309 -10.803 1.00 64.42 H new ATOM 0 HH11 ARG A 46 -1.371 -4.355 -11.130 1.00 15.22 H new ATOM 0 HH12 ARG A 46 -0.431 -5.846 -11.251 1.00 15.22 H new ATOM 0 HH21 ARG A 46 2.691 -4.232 -10.955 1.00 50.12 H new ATOM 0 HH22 ARG A 46 1.854 -5.775 -11.152 1.00 50.12 H new ATOM 806 N SER A 47 -3.271 2.836 -8.733 1.00 41.13 N ATOM 807 CA SER A 47 -4.425 3.732 -8.609 1.00 41.50 C ATOM 808 C SER A 47 -4.601 4.548 -9.896 1.00 65.34 C ATOM 809 O SER A 47 -3.617 4.856 -10.588 1.00 31.42 O ATOM 810 CB SER A 47 -4.223 4.650 -7.392 1.00 54.21 C ATOM 811 OG SER A 47 -5.248 5.621 -7.283 1.00 75.10 O ATOM 0 H SER A 47 -2.479 3.259 -9.218 1.00 41.13 H new ATOM 0 HA SER A 47 -5.333 3.147 -8.460 1.00 41.50 H new ATOM 0 HB2 SER A 47 -4.197 4.047 -6.484 1.00 54.21 H new ATOM 0 HB3 SER A 47 -3.257 5.150 -7.471 1.00 54.21 H new ATOM 0 HG SER A 47 -6.115 5.205 -7.473 1.00 75.10 H new ATOM 817 N ASN A 48 -5.865 4.896 -10.190 1.00 72.32 N ATOM 818 CA ASN A 48 -6.263 5.559 -11.448 1.00 71.00 C ATOM 819 C ASN A 48 -6.627 7.041 -11.216 1.00 20.41 C ATOM 820 O ASN A 48 -6.954 7.757 -12.173 1.00 71.55 O ATOM 821 CB ASN A 48 -7.460 4.795 -12.073 1.00 21.52 C ATOM 822 CG ASN A 48 -7.182 3.304 -12.328 1.00 54.11 C ATOM 823 OD1 ASN A 48 -6.052 2.902 -12.625 1.00 61.42 O ATOM 824 ND2 ASN A 48 -8.209 2.473 -12.204 1.00 72.53 N ATOM 0 H ASN A 48 -6.647 4.725 -9.558 1.00 72.32 H new ATOM 0 HA ASN A 48 -5.417 5.538 -12.135 1.00 71.00 H new ATOM 0 HB2 ASN A 48 -8.322 4.886 -11.412 1.00 21.52 H new ATOM 0 HB3 ASN A 48 -7.730 5.271 -13.016 1.00 21.52 H new ATOM 0 HD21 ASN A 48 -8.077 1.473 -12.355 1.00 72.53 H new ATOM 0 HD22 ASN A 48 -9.131 2.834 -11.958 1.00 72.53 H new ATOM 831 N ASP A 49 -6.531 7.502 -9.953 1.00 40.55 N ATOM 832 CA ASP A 49 -6.855 8.898 -9.555 1.00 75.41 C ATOM 833 C ASP A 49 -5.881 9.378 -8.454 1.00 2.01 C ATOM 834 O ASP A 49 -5.474 8.572 -7.612 1.00 5.30 O ATOM 835 CB ASP A 49 -8.327 8.988 -9.087 1.00 53.15 C ATOM 836 CG ASP A 49 -8.738 10.399 -8.632 1.00 3.55 C ATOM 837 OD1 ASP A 49 -8.982 11.272 -9.489 1.00 60.44 O ATOM 838 OD2 ASP A 49 -8.814 10.643 -7.416 1.00 33.34 O ATOM 0 H ASP A 49 -6.226 6.919 -9.173 1.00 40.55 H new ATOM 0 HA ASP A 49 -6.735 9.555 -10.416 1.00 75.41 H new ATOM 0 HB2 ASP A 49 -8.979 8.672 -9.901 1.00 53.15 H new ATOM 0 HB3 ASP A 49 -8.483 8.289 -8.265 1.00 53.15 H new ATOM 843 N LYS A 50 -5.504 10.686 -8.472 1.00 42.42 N ATOM 844 CA LYS A 50 -4.521 11.251 -7.509 1.00 75.40 C ATOM 845 C LYS A 50 -5.093 11.268 -6.071 1.00 51.32 C ATOM 846 O LYS A 50 -4.370 10.977 -5.121 1.00 64.11 O ATOM 847 CB LYS A 50 -4.030 12.692 -7.915 1.00 52.51 C ATOM 848 CG LYS A 50 -2.483 12.905 -7.919 1.00 61.14 C ATOM 849 CD LYS A 50 -1.731 12.430 -6.637 1.00 51.10 C ATOM 850 CE LYS A 50 -2.036 13.271 -5.386 1.00 52.11 C ATOM 851 NZ LYS A 50 -1.332 12.751 -4.175 1.00 2.32 N ATOM 0 H LYS A 50 -5.865 11.366 -9.141 1.00 42.42 H new ATOM 0 HA LYS A 50 -3.653 10.592 -7.538 1.00 75.40 H new ATOM 0 HB2 LYS A 50 -4.412 12.919 -8.910 1.00 52.51 H new ATOM 0 HB3 LYS A 50 -4.476 13.414 -7.231 1.00 52.51 H new ATOM 0 HG2 LYS A 50 -2.065 12.381 -8.778 1.00 61.14 H new ATOM 0 HG3 LYS A 50 -2.281 13.966 -8.064 1.00 61.14 H new ATOM 0 HD2 LYS A 50 -1.995 11.391 -6.437 1.00 51.10 H new ATOM 0 HD3 LYS A 50 -0.658 12.456 -6.827 1.00 51.10 H new ATOM 0 HE2 LYS A 50 -1.738 14.304 -5.563 1.00 52.11 H new ATOM 0 HE3 LYS A 50 -3.111 13.276 -5.206 1.00 52.11 H new ATOM 0 HZ1 LYS A 50 -1.862 13.022 -3.322 1.00 2.32 H new ATOM 0 HZ2 LYS A 50 -1.269 11.714 -4.229 1.00 2.32 H new ATOM 0 HZ3 LYS A 50 -0.374 13.154 -4.130 1.00 2.32 H new ATOM 865 N ASN A 51 -6.379 11.615 -5.917 1.00 63.11 N ATOM 866 CA ASN A 51 -7.033 11.638 -4.589 1.00 10.11 C ATOM 867 C ASN A 51 -7.164 10.205 -4.029 1.00 72.40 C ATOM 868 O ASN A 51 -7.021 9.991 -2.824 1.00 71.41 O ATOM 869 CB ASN A 51 -8.424 12.338 -4.650 1.00 74.40 C ATOM 870 CG ASN A 51 -8.354 13.848 -4.912 1.00 1.02 C ATOM 871 OD1 ASN A 51 -7.390 14.522 -4.542 1.00 74.10 O ATOM 872 ND2 ASN A 51 -9.387 14.397 -5.540 1.00 64.02 N ATOM 0 H ASN A 51 -6.990 11.883 -6.689 1.00 63.11 H new ATOM 0 HA ASN A 51 -6.403 12.219 -3.915 1.00 10.11 H new ATOM 0 HB2 ASN A 51 -9.020 11.871 -5.434 1.00 74.40 H new ATOM 0 HB3 ASN A 51 -8.946 12.167 -3.709 1.00 74.40 H new ATOM 0 HD21 ASN A 51 -9.396 15.400 -5.727 1.00 64.02 H new ATOM 0 HD22 ASN A 51 -10.172 13.816 -5.835 1.00 64.02 H new ATOM 879 N GLU A 52 -7.402 9.237 -4.936 1.00 34.11 N ATOM 880 CA GLU A 52 -7.549 7.811 -4.586 1.00 0.51 C ATOM 881 C GLU A 52 -6.219 7.231 -4.037 1.00 62.40 C ATOM 882 O GLU A 52 -6.206 6.612 -2.965 1.00 1.35 O ATOM 883 CB GLU A 52 -8.038 7.023 -5.831 1.00 1.42 C ATOM 884 CG GLU A 52 -8.271 5.518 -5.613 1.00 0.40 C ATOM 885 CD GLU A 52 -8.796 4.806 -6.873 1.00 42.54 C ATOM 886 OE1 GLU A 52 -8.023 4.663 -7.849 1.00 33.41 O ATOM 887 OE2 GLU A 52 -9.985 4.412 -6.910 1.00 12.11 O ATOM 0 H GLU A 52 -7.498 9.423 -5.934 1.00 34.11 H new ATOM 0 HA GLU A 52 -8.291 7.713 -3.794 1.00 0.51 H new ATOM 0 HB2 GLU A 52 -8.969 7.470 -6.180 1.00 1.42 H new ATOM 0 HB3 GLU A 52 -7.306 7.148 -6.629 1.00 1.42 H new ATOM 0 HG2 GLU A 52 -7.336 5.052 -5.301 1.00 0.40 H new ATOM 0 HG3 GLU A 52 -8.983 5.380 -4.800 1.00 0.40 H new ATOM 894 N VAL A 53 -5.101 7.458 -4.767 1.00 12.40 N ATOM 895 CA VAL A 53 -3.756 7.001 -4.331 1.00 44.12 C ATOM 896 C VAL A 53 -3.325 7.709 -3.033 1.00 12.15 C ATOM 897 O VAL A 53 -2.700 7.098 -2.172 1.00 54.41 O ATOM 898 CB VAL A 53 -2.657 7.196 -5.451 1.00 14.14 C ATOM 899 CG1 VAL A 53 -2.487 8.669 -5.855 1.00 44.21 C ATOM 900 CG2 VAL A 53 -1.296 6.576 -5.043 1.00 30.22 C ATOM 0 H VAL A 53 -5.102 7.953 -5.659 1.00 12.40 H new ATOM 0 HA VAL A 53 -3.840 5.931 -4.140 1.00 44.12 H new ATOM 0 HB VAL A 53 -3.020 6.658 -6.327 1.00 14.14 H new ATOM 0 HG11 VAL A 53 -1.721 8.749 -6.626 1.00 44.21 H new ATOM 0 HG12 VAL A 53 -3.432 9.052 -6.241 1.00 44.21 H new ATOM 0 HG13 VAL A 53 -2.187 9.253 -4.985 1.00 44.21 H new ATOM 0 HG21 VAL A 53 -0.571 6.733 -5.841 1.00 30.22 H new ATOM 0 HG22 VAL A 53 -0.939 7.051 -4.130 1.00 30.22 H new ATOM 0 HG23 VAL A 53 -1.420 5.507 -4.871 1.00 30.22 H new ATOM 910 N ASP A 54 -3.716 8.990 -2.901 1.00 53.21 N ATOM 911 CA ASP A 54 -3.384 9.825 -1.733 1.00 43.35 C ATOM 912 C ASP A 54 -4.126 9.314 -0.480 1.00 71.14 C ATOM 913 O ASP A 54 -3.602 9.373 0.635 1.00 51.41 O ATOM 914 CB ASP A 54 -3.765 11.297 -2.033 1.00 11.11 C ATOM 915 CG ASP A 54 -3.190 12.310 -1.027 1.00 23.40 C ATOM 916 OD1 ASP A 54 -3.844 12.601 -0.004 1.00 11.15 O ATOM 917 OD2 ASP A 54 -2.076 12.838 -1.270 1.00 62.14 O ATOM 0 H ASP A 54 -4.273 9.476 -3.604 1.00 53.21 H new ATOM 0 HA ASP A 54 -2.313 9.766 -1.537 1.00 43.35 H new ATOM 0 HB2 ASP A 54 -3.416 11.555 -3.033 1.00 11.11 H new ATOM 0 HB3 ASP A 54 -4.851 11.386 -2.042 1.00 11.11 H new ATOM 922 N ARG A 55 -5.350 8.795 -0.710 1.00 22.04 N ATOM 923 CA ARG A 55 -6.225 8.249 0.344 1.00 50.13 C ATOM 924 C ARG A 55 -5.642 6.950 0.939 1.00 43.15 C ATOM 925 O ARG A 55 -5.682 6.733 2.158 1.00 72.40 O ATOM 926 CB ARG A 55 -7.656 7.996 -0.217 1.00 54.02 C ATOM 927 CG ARG A 55 -8.656 7.449 0.819 1.00 71.44 C ATOM 928 CD ARG A 55 -10.044 7.127 0.237 1.00 40.13 C ATOM 929 NE ARG A 55 -10.848 6.327 1.182 1.00 40.15 N ATOM 930 CZ ARG A 55 -11.741 6.800 2.066 1.00 75.01 C ATOM 931 NH1 ARG A 55 -11.993 8.105 2.166 1.00 74.42 N ATOM 932 NH2 ARG A 55 -12.361 5.952 2.867 1.00 61.05 N ATOM 0 H ARG A 55 -5.761 8.744 -1.642 1.00 22.04 H new ATOM 0 HA ARG A 55 -6.286 8.986 1.145 1.00 50.13 H new ATOM 0 HB2 ARG A 55 -8.045 8.930 -0.622 1.00 54.02 H new ATOM 0 HB3 ARG A 55 -7.589 7.292 -1.047 1.00 54.02 H new ATOM 0 HG2 ARG A 55 -8.242 6.546 1.267 1.00 71.44 H new ATOM 0 HG3 ARG A 55 -8.769 8.179 1.621 1.00 71.44 H new ATOM 0 HD2 ARG A 55 -10.568 8.054 0.005 1.00 40.13 H new ATOM 0 HD3 ARG A 55 -9.931 6.582 -0.700 1.00 40.13 H new ATOM 0 HE ARG A 55 -10.712 5.316 1.161 1.00 40.15 H new ATOM 0 HH11 ARG A 55 -11.503 8.767 1.564 1.00 74.42 H new ATOM 0 HH12 ARG A 55 -12.676 8.442 2.845 1.00 74.42 H new ATOM 0 HH21 ARG A 55 -12.158 4.954 2.808 1.00 61.05 H new ATOM 0 HH22 ARG A 55 -13.042 6.295 3.544 1.00 61.05 H new ATOM 946 N ILE A 56 -5.108 6.093 0.066 1.00 12.44 N ATOM 947 CA ILE A 56 -4.514 4.805 0.467 1.00 12.31 C ATOM 948 C ILE A 56 -3.090 5.037 1.043 1.00 65.41 C ATOM 949 O ILE A 56 -2.633 4.320 1.954 1.00 40.34 O ATOM 950 CB ILE A 56 -4.466 3.827 -0.767 1.00 1.34 C ATOM 951 CG1 ILE A 56 -5.870 3.722 -1.458 1.00 42.14 C ATOM 952 CG2 ILE A 56 -3.962 2.432 -0.343 1.00 3.54 C ATOM 953 CD1 ILE A 56 -5.868 3.004 -2.802 1.00 61.20 C ATOM 0 H ILE A 56 -5.073 6.267 -0.938 1.00 12.44 H new ATOM 0 HA ILE A 56 -5.130 4.349 1.242 1.00 12.31 H new ATOM 0 HB ILE A 56 -3.763 4.238 -1.492 1.00 1.34 H new ATOM 0 HG12 ILE A 56 -6.553 3.203 -0.785 1.00 42.14 H new ATOM 0 HG13 ILE A 56 -6.266 4.728 -1.600 1.00 42.14 H new ATOM 0 HG21 ILE A 56 -3.938 1.774 -1.212 1.00 3.54 H new ATOM 0 HG22 ILE A 56 -2.959 2.519 0.075 1.00 3.54 H new ATOM 0 HG23 ILE A 56 -4.633 2.016 0.408 1.00 3.54 H new ATOM 0 HD11 ILE A 56 -6.881 2.980 -3.203 1.00 61.20 H new ATOM 0 HD12 ILE A 56 -5.215 3.533 -3.496 1.00 61.20 H new ATOM 0 HD13 ILE A 56 -5.506 1.984 -2.669 1.00 61.20 H new ATOM 965 N LEU A 57 -2.421 6.082 0.517 1.00 2.34 N ATOM 966 CA LEU A 57 -1.071 6.481 0.940 1.00 62.20 C ATOM 967 C LEU A 57 -1.074 6.952 2.398 1.00 23.14 C ATOM 968 O LEU A 57 -0.214 6.561 3.188 1.00 3.54 O ATOM 969 CB LEU A 57 -0.518 7.607 0.022 1.00 22.42 C ATOM 970 CG LEU A 57 0.978 7.988 0.237 1.00 73.03 C ATOM 971 CD1 LEU A 57 1.888 6.786 -0.053 1.00 33.54 C ATOM 972 CD2 LEU A 57 1.377 9.214 -0.614 1.00 74.32 C ATOM 0 H LEU A 57 -2.808 6.674 -0.218 1.00 2.34 H new ATOM 0 HA LEU A 57 -0.423 5.609 0.856 1.00 62.20 H new ATOM 0 HB2 LEU A 57 -0.649 7.300 -1.016 1.00 22.42 H new ATOM 0 HB3 LEU A 57 -1.125 8.500 0.169 1.00 22.42 H new ATOM 0 HG LEU A 57 1.108 8.267 1.283 1.00 73.03 H new ATOM 0 HD11 LEU A 57 2.928 7.071 0.102 1.00 33.54 H new ATOM 0 HD12 LEU A 57 1.632 5.966 0.618 1.00 33.54 H new ATOM 0 HD13 LEU A 57 1.750 6.466 -1.086 1.00 33.54 H new ATOM 0 HD21 LEU A 57 2.426 9.452 -0.440 1.00 74.32 H new ATOM 0 HD22 LEU A 57 1.227 8.989 -1.670 1.00 74.32 H new ATOM 0 HD23 LEU A 57 0.760 10.068 -0.334 1.00 74.32 H new ATOM 984 N GLU A 58 -2.053 7.800 2.747 1.00 54.51 N ATOM 985 CA GLU A 58 -2.198 8.308 4.122 1.00 71.11 C ATOM 986 C GLU A 58 -2.663 7.184 5.071 1.00 60.10 C ATOM 987 O GLU A 58 -2.328 7.206 6.255 1.00 64.44 O ATOM 988 CB GLU A 58 -3.180 9.510 4.161 1.00 33.31 C ATOM 989 CG GLU A 58 -4.655 9.147 3.888 1.00 33.33 C ATOM 990 CD GLU A 58 -5.593 10.355 3.792 1.00 31.42 C ATOM 991 OE1 GLU A 58 -5.705 11.104 4.777 1.00 12.34 O ATOM 992 OE2 GLU A 58 -6.229 10.562 2.745 1.00 72.12 O ATOM 0 H GLU A 58 -2.757 8.149 2.097 1.00 54.51 H new ATOM 0 HA GLU A 58 -1.224 8.657 4.464 1.00 71.11 H new ATOM 0 HB2 GLU A 58 -3.112 9.985 5.139 1.00 33.31 H new ATOM 0 HB3 GLU A 58 -2.859 10.248 3.425 1.00 33.31 H new ATOM 0 HG2 GLU A 58 -4.712 8.582 2.957 1.00 33.33 H new ATOM 0 HG3 GLU A 58 -5.008 8.489 4.682 1.00 33.33 H new ATOM 999 N GLU A 59 -3.405 6.191 4.520 1.00 14.52 N ATOM 1000 CA GLU A 59 -3.934 5.043 5.288 1.00 62.13 C ATOM 1001 C GLU A 59 -2.791 4.217 5.892 1.00 71.43 C ATOM 1002 O GLU A 59 -2.779 3.954 7.101 1.00 61.54 O ATOM 1003 CB GLU A 59 -4.823 4.139 4.387 1.00 52.03 C ATOM 1004 CG GLU A 59 -5.534 2.991 5.132 1.00 64.33 C ATOM 1005 CD GLU A 59 -6.181 1.947 4.202 1.00 11.32 C ATOM 1006 OE1 GLU A 59 -7.246 2.227 3.620 1.00 33.44 O ATOM 1007 OE2 GLU A 59 -5.633 0.829 4.085 1.00 12.14 O ATOM 0 H GLU A 59 -3.652 6.166 3.531 1.00 14.52 H new ATOM 0 HA GLU A 59 -4.545 5.438 6.099 1.00 62.13 H new ATOM 0 HB2 GLU A 59 -5.575 4.760 3.901 1.00 52.03 H new ATOM 0 HB3 GLU A 59 -4.203 3.713 3.598 1.00 52.03 H new ATOM 0 HG2 GLU A 59 -4.814 2.490 5.778 1.00 64.33 H new ATOM 0 HG3 GLU A 59 -6.303 3.413 5.779 1.00 64.33 H new ATOM 1014 N VAL A 60 -1.826 3.819 5.034 1.00 32.14 N ATOM 1015 CA VAL A 60 -0.646 3.041 5.477 1.00 30.44 C ATOM 1016 C VAL A 60 0.234 3.850 6.473 1.00 24.41 C ATOM 1017 O VAL A 60 0.745 3.292 7.442 1.00 33.13 O ATOM 1018 CB VAL A 60 0.205 2.491 4.261 1.00 20.25 C ATOM 1019 CG1 VAL A 60 0.628 3.595 3.276 1.00 60.14 C ATOM 1020 CG2 VAL A 60 1.436 1.687 4.744 1.00 53.22 C ATOM 0 H VAL A 60 -1.840 4.022 4.035 1.00 32.14 H new ATOM 0 HA VAL A 60 -1.028 2.171 6.010 1.00 30.44 H new ATOM 0 HB VAL A 60 -0.455 1.816 3.716 1.00 20.25 H new ATOM 0 HG11 VAL A 60 1.208 3.156 2.465 1.00 60.14 H new ATOM 0 HG12 VAL A 60 -0.260 4.078 2.867 1.00 60.14 H new ATOM 0 HG13 VAL A 60 1.236 4.335 3.797 1.00 60.14 H new ATOM 0 HG21 VAL A 60 1.996 1.325 3.881 1.00 53.22 H new ATOM 0 HG22 VAL A 60 2.076 2.330 5.348 1.00 53.22 H new ATOM 0 HG23 VAL A 60 1.104 0.839 5.343 1.00 53.22 H new ATOM 1030 N ARG A 61 0.338 5.179 6.260 1.00 31.44 N ATOM 1031 CA ARG A 61 1.131 6.089 7.130 1.00 5.42 C ATOM 1032 C ARG A 61 0.502 6.246 8.540 1.00 21.04 C ATOM 1033 O ARG A 61 1.218 6.407 9.532 1.00 61.53 O ATOM 1034 CB ARG A 61 1.267 7.476 6.441 1.00 50.23 C ATOM 1035 CG ARG A 61 2.088 7.456 5.130 1.00 63.12 C ATOM 1036 CD ARG A 61 1.996 8.775 4.334 1.00 30.11 C ATOM 1037 NE ARG A 61 2.456 9.939 5.112 1.00 44.32 N ATOM 1038 CZ ARG A 61 2.606 11.184 4.627 1.00 1.05 C ATOM 1039 NH1 ARG A 61 2.344 11.456 3.345 1.00 52.22 N ATOM 1040 NH2 ARG A 61 3.008 12.157 5.443 1.00 74.30 N ATOM 0 H ARG A 61 -0.122 5.655 5.484 1.00 31.44 H new ATOM 0 HA ARG A 61 2.117 5.646 7.268 1.00 5.42 H new ATOM 0 HB2 ARG A 61 0.270 7.862 6.226 1.00 50.23 H new ATOM 0 HB3 ARG A 61 1.734 8.171 7.138 1.00 50.23 H new ATOM 0 HG2 ARG A 61 3.133 7.254 5.366 1.00 63.12 H new ATOM 0 HG3 ARG A 61 1.739 6.636 4.503 1.00 63.12 H new ATOM 0 HD2 ARG A 61 2.594 8.690 3.426 1.00 30.11 H new ATOM 0 HD3 ARG A 61 0.964 8.936 4.022 1.00 30.11 H new ATOM 0 HE ARG A 61 2.678 9.788 6.096 1.00 44.32 H new ATOM 0 HH11 ARG A 61 2.026 10.714 2.721 1.00 52.22 H new ATOM 0 HH12 ARG A 61 2.462 12.405 2.991 1.00 52.22 H new ATOM 0 HH21 ARG A 61 3.198 11.954 6.424 1.00 74.30 H new ATOM 0 HH22 ARG A 61 3.125 13.105 5.087 1.00 74.30 H new ATOM 1054 N ARG A 62 -0.838 6.200 8.605 1.00 75.22 N ATOM 1055 CA ARG A 62 -1.596 6.360 9.860 1.00 74.33 C ATOM 1056 C ARG A 62 -1.621 5.044 10.661 1.00 31.24 C ATOM 1057 O ARG A 62 -1.295 5.012 11.852 1.00 21.25 O ATOM 1058 CB ARG A 62 -3.058 6.785 9.521 1.00 64.02 C ATOM 1059 CG ARG A 62 -3.249 8.258 9.097 1.00 3.20 C ATOM 1060 CD ARG A 62 -3.156 9.233 10.279 1.00 60.41 C ATOM 1061 NE ARG A 62 -4.087 8.876 11.368 1.00 12.20 N ATOM 1062 CZ ARG A 62 -5.422 9.087 11.375 1.00 74.35 C ATOM 1063 NH1 ARG A 62 -6.048 9.677 10.352 1.00 72.40 N ATOM 1064 NH2 ARG A 62 -6.129 8.701 12.428 1.00 1.40 N ATOM 0 H ARG A 62 -1.430 6.050 7.788 1.00 75.22 H new ATOM 0 HA ARG A 62 -1.110 7.124 10.467 1.00 74.33 H new ATOM 0 HB2 ARG A 62 -3.425 6.145 8.719 1.00 64.02 H new ATOM 0 HB3 ARG A 62 -3.683 6.594 10.393 1.00 64.02 H new ATOM 0 HG2 ARG A 62 -2.493 8.519 8.356 1.00 3.20 H new ATOM 0 HG3 ARG A 62 -4.220 8.370 8.615 1.00 3.20 H new ATOM 0 HD2 ARG A 62 -2.136 9.241 10.663 1.00 60.41 H new ATOM 0 HD3 ARG A 62 -3.374 10.243 9.933 1.00 60.41 H new ATOM 0 HE ARG A 62 -3.685 8.428 12.192 1.00 12.20 H new ATOM 0 HH11 ARG A 62 -5.517 9.982 9.536 1.00 72.40 H new ATOM 0 HH12 ARG A 62 -7.057 9.822 10.387 1.00 72.40 H new ATOM 0 HH21 ARG A 62 -5.665 8.252 13.217 1.00 1.40 H new ATOM 0 HH22 ARG A 62 -7.137 8.853 12.449 1.00 1.40 H new ATOM 1078 N LYS A 63 -1.977 3.964 9.959 1.00 75.21 N ATOM 1079 CA LYS A 63 -2.328 2.672 10.566 1.00 71.31 C ATOM 1080 C LYS A 63 -1.079 1.855 10.922 1.00 64.33 C ATOM 1081 O LYS A 63 -0.995 1.268 12.015 1.00 41.04 O ATOM 1082 CB LYS A 63 -3.237 1.910 9.563 1.00 5.42 C ATOM 1083 CG LYS A 63 -3.597 0.458 9.936 1.00 30.51 C ATOM 1084 CD LYS A 63 -4.620 -0.161 8.949 1.00 44.33 C ATOM 1085 CE LYS A 63 -4.162 -0.094 7.477 1.00 44.43 C ATOM 1086 NZ LYS A 63 -5.255 -0.489 6.542 1.00 0.23 N ATOM 0 H LYS A 63 -2.031 3.960 8.940 1.00 75.21 H new ATOM 0 HA LYS A 63 -2.859 2.836 11.504 1.00 71.31 H new ATOM 0 HB2 LYS A 63 -4.163 2.473 9.445 1.00 5.42 H new ATOM 0 HB3 LYS A 63 -2.743 1.901 8.591 1.00 5.42 H new ATOM 0 HG2 LYS A 63 -2.691 -0.148 9.946 1.00 30.51 H new ATOM 0 HG3 LYS A 63 -4.008 0.435 10.945 1.00 30.51 H new ATOM 0 HD2 LYS A 63 -4.794 -1.202 9.222 1.00 44.33 H new ATOM 0 HD3 LYS A 63 -5.573 0.359 9.050 1.00 44.33 H new ATOM 0 HE2 LYS A 63 -3.832 0.918 7.244 1.00 44.43 H new ATOM 0 HE3 LYS A 63 -3.304 -0.750 7.332 1.00 44.43 H new ATOM 0 HZ1 LYS A 63 -4.971 -0.272 5.565 1.00 0.23 H new ATOM 0 HZ2 LYS A 63 -5.437 -1.509 6.632 1.00 0.23 H new ATOM 0 HZ3 LYS A 63 -6.120 0.039 6.777 1.00 0.23 H new ATOM 1100 N VAL A 64 -0.098 1.841 10.002 1.00 11.10 N ATOM 1101 CA VAL A 64 1.160 1.081 10.169 1.00 73.24 C ATOM 1102 C VAL A 64 2.387 1.963 9.767 1.00 44.04 C ATOM 1103 O VAL A 64 3.035 1.740 8.733 1.00 31.31 O ATOM 1104 CB VAL A 64 1.112 -0.301 9.378 1.00 64.12 C ATOM 1105 CG1 VAL A 64 0.082 -1.276 10.002 1.00 24.51 C ATOM 1106 CG2 VAL A 64 0.817 -0.107 7.874 1.00 44.24 C ATOM 0 H VAL A 64 -0.152 2.354 9.122 1.00 11.10 H new ATOM 0 HA VAL A 64 1.277 0.825 11.222 1.00 73.24 H new ATOM 0 HB VAL A 64 2.106 -0.739 9.467 1.00 64.12 H new ATOM 0 HG11 VAL A 64 0.075 -2.208 9.438 1.00 24.51 H new ATOM 0 HG12 VAL A 64 0.355 -1.480 11.037 1.00 24.51 H new ATOM 0 HG13 VAL A 64 -0.910 -0.826 9.971 1.00 24.51 H new ATOM 0 HG21 VAL A 64 0.795 -1.078 7.379 1.00 44.24 H new ATOM 0 HG22 VAL A 64 -0.149 0.384 7.753 1.00 44.24 H new ATOM 0 HG23 VAL A 64 1.596 0.510 7.427 1.00 44.24 H new ATOM 1116 N PRO A 65 2.738 3.002 10.617 1.00 64.43 N ATOM 1117 CA PRO A 65 3.887 3.927 10.346 1.00 14.05 C ATOM 1118 C PRO A 65 5.261 3.247 10.539 1.00 5.15 C ATOM 1119 O PRO A 65 6.306 3.841 10.255 1.00 41.05 O ATOM 1120 CB PRO A 65 3.660 5.057 11.377 1.00 23.11 C ATOM 1121 CG PRO A 65 2.973 4.383 12.525 1.00 44.44 C ATOM 1122 CD PRO A 65 2.052 3.361 11.897 1.00 64.02 C ATOM 0 HA PRO A 65 3.912 4.274 9.313 1.00 14.05 H new ATOM 0 HB2 PRO A 65 4.603 5.507 11.687 1.00 23.11 H new ATOM 0 HB3 PRO A 65 3.047 5.857 10.961 1.00 23.11 H new ATOM 0 HG2 PRO A 65 3.694 3.907 13.189 1.00 44.44 H new ATOM 0 HG3 PRO A 65 2.413 5.101 13.124 1.00 44.44 H new ATOM 0 HD2 PRO A 65 1.923 2.490 12.540 1.00 64.02 H new ATOM 0 HD3 PRO A 65 1.059 3.774 11.717 1.00 64.02 H new ATOM 1130 N ASN A 66 5.223 2.000 11.044 1.00 54.45 N ATOM 1131 CA ASN A 66 6.404 1.142 11.195 1.00 34.20 C ATOM 1132 C ASN A 66 6.944 0.784 9.796 1.00 13.13 C ATOM 1133 O ASN A 66 8.147 0.841 9.548 1.00 31.43 O ATOM 1134 CB ASN A 66 6.033 -0.165 11.956 1.00 43.10 C ATOM 1135 CG ASN A 66 5.161 0.047 13.207 1.00 42.41 C ATOM 1136 OD1 ASN A 66 5.316 1.013 13.952 1.00 14.24 O ATOM 1137 ND2 ASN A 66 4.205 -0.845 13.416 1.00 73.04 N ATOM 0 H ASN A 66 4.360 1.559 11.361 1.00 54.45 H new ATOM 0 HA ASN A 66 7.163 1.676 11.767 1.00 34.20 H new ATOM 0 HB2 ASN A 66 5.508 -0.831 11.272 1.00 43.10 H new ATOM 0 HB3 ASN A 66 6.952 -0.671 12.251 1.00 43.10 H new ATOM 0 HD21 ASN A 66 3.575 -0.740 14.211 1.00 73.04 H new ATOM 0 HD22 ASN A 66 4.099 -1.637 12.782 1.00 73.04 H new ATOM 1144 N ALA A 67 6.006 0.446 8.893 1.00 74.03 N ATOM 1145 CA ALA A 67 6.308 0.058 7.508 1.00 74.14 C ATOM 1146 C ALA A 67 6.812 1.268 6.694 1.00 52.11 C ATOM 1147 O ALA A 67 6.222 2.350 6.770 1.00 72.04 O ATOM 1148 CB ALA A 67 5.051 -0.547 6.855 1.00 11.54 C ATOM 0 H ALA A 67 5.009 0.435 9.108 1.00 74.03 H new ATOM 0 HA ALA A 67 7.101 -0.690 7.518 1.00 74.14 H new ATOM 0 HB1 ALA A 67 5.277 -0.834 5.828 1.00 11.54 H new ATOM 0 HB2 ALA A 67 4.737 -1.427 7.417 1.00 11.54 H new ATOM 0 HB3 ALA A 67 4.249 0.191 6.857 1.00 11.54 H new ATOM 1154 N ARG A 68 7.915 1.074 5.935 1.00 2.14 N ATOM 1155 CA ARG A 68 8.495 2.118 5.064 1.00 21.15 C ATOM 1156 C ARG A 68 7.546 2.421 3.886 1.00 60.34 C ATOM 1157 O ARG A 68 7.312 1.569 3.034 1.00 63.23 O ATOM 1158 CB ARG A 68 9.890 1.676 4.534 1.00 33.41 C ATOM 1159 CG ARG A 68 10.594 2.707 3.611 1.00 45.23 C ATOM 1160 CD ARG A 68 10.891 4.039 4.329 1.00 45.40 C ATOM 1161 NE ARG A 68 11.492 5.039 3.437 1.00 31.34 N ATOM 1162 CZ ARG A 68 11.927 6.255 3.815 1.00 34.52 C ATOM 1163 NH1 ARG A 68 11.834 6.662 5.085 1.00 50.24 N ATOM 1164 NH2 ARG A 68 12.478 7.057 2.913 1.00 41.53 N ATOM 0 H ARG A 68 8.426 0.191 5.910 1.00 2.14 H new ATOM 0 HA ARG A 68 8.622 3.026 5.653 1.00 21.15 H new ATOM 0 HB2 ARG A 68 10.538 1.471 5.386 1.00 33.41 H new ATOM 0 HB3 ARG A 68 9.775 0.740 3.988 1.00 33.41 H new ATOM 0 HG2 ARG A 68 11.527 2.281 3.242 1.00 45.23 H new ATOM 0 HG3 ARG A 68 9.966 2.899 2.741 1.00 45.23 H new ATOM 0 HD2 ARG A 68 9.966 4.438 4.745 1.00 45.40 H new ATOM 0 HD3 ARG A 68 11.563 3.854 5.167 1.00 45.40 H new ATOM 0 HE ARG A 68 11.587 4.792 2.452 1.00 31.34 H new ATOM 0 HH11 ARG A 68 11.427 6.047 5.789 1.00 50.24 H new ATOM 0 HH12 ARG A 68 12.170 7.588 5.350 1.00 50.24 H new ATOM 0 HH21 ARG A 68 12.568 6.750 1.945 1.00 41.53 H new ATOM 0 HH22 ARG A 68 12.811 7.981 3.188 1.00 41.53 H new ATOM 1178 N VAL A 69 7.006 3.638 3.861 1.00 25.35 N ATOM 1179 CA VAL A 69 6.043 4.076 2.839 1.00 51.11 C ATOM 1180 C VAL A 69 6.789 4.780 1.684 1.00 51.24 C ATOM 1181 O VAL A 69 7.536 5.733 1.921 1.00 13.53 O ATOM 1182 CB VAL A 69 4.976 5.030 3.487 1.00 33.24 C ATOM 1183 CG1 VAL A 69 3.925 5.475 2.456 1.00 42.13 C ATOM 1184 CG2 VAL A 69 4.313 4.358 4.719 1.00 44.31 C ATOM 0 H VAL A 69 7.223 4.357 4.552 1.00 25.35 H new ATOM 0 HA VAL A 69 5.523 3.209 2.432 1.00 51.11 H new ATOM 0 HB VAL A 69 5.491 5.927 3.832 1.00 33.24 H new ATOM 0 HG11 VAL A 69 3.201 6.134 2.936 1.00 42.13 H new ATOM 0 HG12 VAL A 69 4.417 6.007 1.642 1.00 42.13 H new ATOM 0 HG13 VAL A 69 3.411 4.599 2.059 1.00 42.13 H new ATOM 0 HG21 VAL A 69 3.578 5.036 5.152 1.00 44.31 H new ATOM 0 HG22 VAL A 69 3.819 3.437 4.409 1.00 44.31 H new ATOM 0 HG23 VAL A 69 5.076 4.128 5.463 1.00 44.31 H new ATOM 1194 N ARG A 70 6.591 4.296 0.442 1.00 62.44 N ATOM 1195 CA ARG A 70 7.271 4.826 -0.757 1.00 21.12 C ATOM 1196 C ARG A 70 6.275 4.932 -1.930 1.00 42.22 C ATOM 1197 O ARG A 70 5.929 3.925 -2.539 1.00 21.42 O ATOM 1198 CB ARG A 70 8.459 3.874 -1.123 1.00 73.15 C ATOM 1199 CG ARG A 70 9.260 4.257 -2.390 1.00 51.23 C ATOM 1200 CD ARG A 70 9.946 5.627 -2.280 1.00 12.22 C ATOM 1201 NE ARG A 70 10.810 5.911 -3.439 1.00 24.45 N ATOM 1202 CZ ARG A 70 11.689 6.929 -3.508 1.00 64.42 C ATOM 1203 NH1 ARG A 70 11.824 7.783 -2.493 1.00 33.52 N ATOM 1204 NH2 ARG A 70 12.441 7.078 -4.589 1.00 24.54 N ATOM 0 H ARG A 70 5.954 3.525 0.241 1.00 62.44 H new ATOM 0 HA ARG A 70 7.657 5.825 -0.554 1.00 21.12 H new ATOM 0 HB2 ARG A 70 9.146 3.839 -0.278 1.00 73.15 H new ATOM 0 HB3 ARG A 70 8.065 2.866 -1.255 1.00 73.15 H new ATOM 0 HG2 ARG A 70 10.015 3.494 -2.579 1.00 51.23 H new ATOM 0 HG3 ARG A 70 8.589 4.262 -3.249 1.00 51.23 H new ATOM 0 HD2 ARG A 70 9.188 6.405 -2.195 1.00 12.22 H new ATOM 0 HD3 ARG A 70 10.542 5.661 -1.368 1.00 12.22 H new ATOM 0 HE ARG A 70 10.737 5.292 -4.247 1.00 24.45 H new ATOM 0 HH11 ARG A 70 11.258 7.669 -1.652 1.00 33.52 H new ATOM 0 HH12 ARG A 70 12.493 8.550 -2.557 1.00 33.52 H new ATOM 0 HH21 ARG A 70 12.353 6.423 -5.366 1.00 24.54 H new ATOM 0 HH22 ARG A 70 13.108 7.848 -4.644 1.00 24.54 H new ATOM 1218 N GLU A 71 5.819 6.152 -2.247 1.00 65.02 N ATOM 1219 CA GLU A 71 4.916 6.388 -3.390 1.00 3.04 C ATOM 1220 C GLU A 71 5.755 6.812 -4.602 1.00 61.42 C ATOM 1221 O GLU A 71 6.483 7.811 -4.553 1.00 21.42 O ATOM 1222 CB GLU A 71 3.845 7.451 -3.027 1.00 23.10 C ATOM 1223 CG GLU A 71 2.616 7.531 -3.989 1.00 12.41 C ATOM 1224 CD GLU A 71 2.747 8.592 -5.097 1.00 24.44 C ATOM 1225 OE1 GLU A 71 2.615 9.795 -4.780 1.00 2.10 O ATOM 1226 OE2 GLU A 71 2.964 8.239 -6.279 1.00 1.22 O ATOM 0 H GLU A 71 6.060 6.996 -1.727 1.00 65.02 H new ATOM 0 HA GLU A 71 4.380 5.472 -3.639 1.00 3.04 H new ATOM 0 HB2 GLU A 71 3.482 7.245 -2.020 1.00 23.10 H new ATOM 0 HB3 GLU A 71 4.325 8.429 -2.999 1.00 23.10 H new ATOM 0 HG2 GLU A 71 2.468 6.555 -4.452 1.00 12.41 H new ATOM 0 HG3 GLU A 71 1.723 7.744 -3.402 1.00 12.41 H new ATOM 1233 N THR A 72 5.681 6.001 -5.653 1.00 64.35 N ATOM 1234 CA THR A 72 6.389 6.198 -6.918 1.00 41.22 C ATOM 1235 C THR A 72 5.373 6.441 -8.054 1.00 74.12 C ATOM 1236 O THR A 72 4.579 5.556 -8.376 1.00 52.34 O ATOM 1237 CB THR A 72 7.257 4.925 -7.221 1.00 31.13 C ATOM 1238 OG1 THR A 72 6.440 3.734 -7.141 1.00 23.31 O ATOM 1239 CG2 THR A 72 8.430 4.792 -6.233 1.00 13.31 C ATOM 0 H THR A 72 5.107 5.158 -5.649 1.00 64.35 H new ATOM 0 HA THR A 72 7.041 7.069 -6.847 1.00 41.22 H new ATOM 0 HB THR A 72 7.659 5.037 -8.228 1.00 31.13 H new ATOM 0 HG1 THR A 72 5.582 3.896 -7.586 1.00 23.31 H new ATOM 0 HG21 THR A 72 9.009 3.900 -6.473 1.00 13.31 H new ATOM 0 HG22 THR A 72 9.070 5.671 -6.308 1.00 13.31 H new ATOM 0 HG23 THR A 72 8.043 4.711 -5.217 1.00 13.31 H new ATOM 1247 N GLU A 73 5.388 7.649 -8.637 1.00 22.31 N ATOM 1248 CA GLU A 73 4.520 8.002 -9.778 1.00 30.55 C ATOM 1249 C GLU A 73 5.288 7.754 -11.090 1.00 34.04 C ATOM 1250 O GLU A 73 6.478 8.080 -11.190 1.00 60.52 O ATOM 1251 CB GLU A 73 4.071 9.487 -9.684 1.00 75.41 C ATOM 1252 CG GLU A 73 3.108 9.941 -10.809 1.00 53.42 C ATOM 1253 CD GLU A 73 2.819 11.447 -10.775 1.00 74.52 C ATOM 1254 OE1 GLU A 73 3.645 12.232 -11.287 1.00 43.32 O ATOM 1255 OE2 GLU A 73 1.773 11.861 -10.240 1.00 1.03 O ATOM 0 H GLU A 73 5.998 8.408 -8.335 1.00 22.31 H new ATOM 0 HA GLU A 73 3.626 7.379 -9.757 1.00 30.55 H new ATOM 0 HB2 GLU A 73 3.585 9.646 -8.721 1.00 75.41 H new ATOM 0 HB3 GLU A 73 4.956 10.123 -9.703 1.00 75.41 H new ATOM 0 HG2 GLU A 73 3.538 9.680 -11.776 1.00 53.42 H new ATOM 0 HG3 GLU A 73 2.169 9.394 -10.720 1.00 53.42 H new ATOM 1262 N THR A 74 4.606 7.176 -12.085 1.00 54.32 N ATOM 1263 CA THR A 74 5.198 6.864 -13.399 1.00 11.32 C ATOM 1264 C THR A 74 5.218 8.128 -14.302 1.00 62.52 C ATOM 1265 O THR A 74 4.318 8.972 -14.215 1.00 5.32 O ATOM 1266 CB THR A 74 4.391 5.718 -14.090 1.00 5.22 C ATOM 1267 OG1 THR A 74 4.168 4.643 -13.154 1.00 31.24 O ATOM 1268 CG2 THR A 74 5.096 5.149 -15.333 1.00 44.31 C ATOM 0 H THR A 74 3.625 6.909 -12.006 1.00 54.32 H new ATOM 0 HA THR A 74 6.225 6.533 -13.249 1.00 11.32 H new ATOM 0 HB THR A 74 3.448 6.157 -14.415 1.00 5.22 H new ATOM 0 HG1 THR A 74 3.467 4.901 -12.520 1.00 31.24 H new ATOM 0 HG21 THR A 74 4.485 4.357 -15.767 1.00 44.31 H new ATOM 0 HG22 THR A 74 5.237 5.943 -16.067 1.00 44.31 H new ATOM 0 HG23 THR A 74 6.066 4.743 -15.047 1.00 44.31 H new ATOM 1276 N GLY A 75 6.265 8.248 -15.144 1.00 61.41 N ATOM 1277 CA GLY A 75 6.402 9.369 -16.081 1.00 21.22 C ATOM 1278 C GLY A 75 7.865 9.665 -16.406 1.00 71.52 C ATOM 1279 O GLY A 75 8.688 9.778 -15.493 1.00 22.11 O ATOM 0 H GLY A 75 7.030 7.575 -15.190 1.00 61.41 H new ATOM 0 HA2 GLY A 75 5.865 9.140 -17.001 1.00 21.22 H new ATOM 0 HA3 GLY A 75 5.938 10.258 -15.654 1.00 21.22 H new ATOM 1283 N SER A 76 8.184 9.776 -17.711 1.00 31.41 N ATOM 1284 CA SER A 76 9.537 10.093 -18.192 1.00 1.45 C ATOM 1285 C SER A 76 9.425 10.840 -19.540 1.00 65.24 C ATOM 1286 O SER A 76 9.706 10.286 -20.608 1.00 64.12 O ATOM 1287 CB SER A 76 10.383 8.782 -18.307 1.00 2.53 C ATOM 1288 OG SER A 76 11.744 9.032 -18.659 1.00 71.41 O ATOM 0 H SER A 76 7.505 9.647 -18.461 1.00 31.41 H new ATOM 0 HA SER A 76 10.053 10.744 -17.486 1.00 1.45 H new ATOM 0 HB2 SER A 76 10.350 8.249 -17.357 1.00 2.53 H new ATOM 0 HB3 SER A 76 9.933 8.129 -19.055 1.00 2.53 H new ATOM 0 HG SER A 76 12.229 8.182 -18.716 1.00 71.41 H new ATOM 1294 N LEU A 77 8.983 12.110 -19.468 1.00 70.02 N ATOM 1295 CA LEU A 77 8.709 12.962 -20.650 1.00 73.50 C ATOM 1296 C LEU A 77 9.891 13.921 -20.913 1.00 71.43 C ATOM 1297 O LEU A 77 9.693 15.072 -21.337 1.00 74.43 O ATOM 1298 CB LEU A 77 7.390 13.770 -20.417 1.00 0.31 C ATOM 1299 CG LEU A 77 6.092 12.949 -20.106 1.00 73.10 C ATOM 1300 CD1 LEU A 77 4.892 13.890 -19.836 1.00 15.42 C ATOM 1301 CD2 LEU A 77 5.772 11.945 -21.235 1.00 4.10 C ATOM 0 H LEU A 77 8.803 12.581 -18.581 1.00 70.02 H new ATOM 0 HA LEU A 77 8.588 12.326 -21.527 1.00 73.50 H new ATOM 0 HB2 LEU A 77 7.559 14.461 -19.591 1.00 0.31 H new ATOM 0 HB3 LEU A 77 7.203 14.374 -21.305 1.00 0.31 H new ATOM 0 HG LEU A 77 6.276 12.371 -19.200 1.00 73.10 H new ATOM 0 HD11 LEU A 77 4.004 13.295 -19.623 1.00 15.42 H new ATOM 0 HD12 LEU A 77 5.115 14.528 -18.981 1.00 15.42 H new ATOM 0 HD13 LEU A 77 4.711 14.510 -20.714 1.00 15.42 H new ATOM 0 HD21 LEU A 77 4.866 11.393 -20.985 1.00 4.10 H new ATOM 0 HD22 LEU A 77 5.622 12.485 -22.170 1.00 4.10 H new ATOM 0 HD23 LEU A 77 6.602 11.247 -21.348 1.00 4.10 H new ATOM 1313 N GLU A 78 11.122 13.420 -20.706 1.00 74.01 N ATOM 1314 CA GLU A 78 12.354 14.223 -20.843 1.00 74.22 C ATOM 1315 C GLU A 78 12.638 14.566 -22.322 1.00 0.00 C ATOM 1316 O GLU A 78 12.378 13.760 -23.228 1.00 33.41 O ATOM 1317 CB GLU A 78 13.553 13.515 -20.138 1.00 70.32 C ATOM 1318 CG GLU A 78 13.862 12.056 -20.569 1.00 61.44 C ATOM 1319 CD GLU A 78 14.600 11.907 -21.915 1.00 3.15 C ATOM 1320 OE1 GLU A 78 15.564 12.668 -22.168 1.00 4.24 O ATOM 1321 OE2 GLU A 78 14.235 11.022 -22.714 1.00 44.12 O ATOM 0 H GLU A 78 11.292 12.450 -20.440 1.00 74.01 H new ATOM 0 HA GLU A 78 12.209 15.176 -20.335 1.00 74.22 H new ATOM 0 HB2 GLU A 78 14.447 14.115 -20.307 1.00 70.32 H new ATOM 0 HB3 GLU A 78 13.365 13.518 -19.064 1.00 70.32 H new ATOM 0 HG2 GLU A 78 14.462 11.584 -19.791 1.00 61.44 H new ATOM 0 HG3 GLU A 78 12.923 11.505 -20.626 1.00 61.44 H new ATOM 1328 N HIS A 79 13.167 15.778 -22.542 1.00 43.22 N ATOM 1329 CA HIS A 79 13.340 16.359 -23.881 1.00 50.23 C ATOM 1330 C HIS A 79 14.690 15.939 -24.473 1.00 42.23 C ATOM 1331 O HIS A 79 15.747 16.327 -23.955 1.00 14.12 O ATOM 1332 CB HIS A 79 13.227 17.908 -23.809 1.00 62.11 C ATOM 1333 CG HIS A 79 11.864 18.399 -23.373 1.00 71.03 C ATOM 1334 ND1 HIS A 79 10.999 19.087 -24.203 1.00 14.40 N ATOM 1335 CD2 HIS A 79 11.216 18.292 -22.183 1.00 23.51 C ATOM 1336 CE1 HIS A 79 9.890 19.369 -23.546 1.00 20.25 C ATOM 1337 NE2 HIS A 79 9.995 18.900 -22.321 1.00 62.11 N ATOM 0 H HIS A 79 13.489 16.387 -21.790 1.00 43.22 H new ATOM 0 HA HIS A 79 12.551 15.985 -24.534 1.00 50.23 H new ATOM 0 HB2 HIS A 79 13.978 18.286 -23.116 1.00 62.11 H new ATOM 0 HB3 HIS A 79 13.458 18.326 -24.789 1.00 62.11 H new ATOM 0 HD2 HIS A 79 11.594 17.815 -21.291 1.00 23.51 H new ATOM 0 HE1 HIS A 79 9.038 19.897 -23.947 1.00 20.25 H new ATOM 0 HE2 HIS A 79 9.284 18.976 -21.593 1.00 62.11 H new ATOM 1346 N HIS A 80 14.640 15.134 -25.549 1.00 14.41 N ATOM 1347 CA HIS A 80 15.838 14.686 -26.275 1.00 45.32 C ATOM 1348 C HIS A 80 16.513 15.891 -26.956 1.00 73.44 C ATOM 1349 O HIS A 80 15.932 16.519 -27.846 1.00 33.04 O ATOM 1350 CB HIS A 80 15.476 13.581 -27.298 1.00 63.34 C ATOM 1351 CG HIS A 80 15.015 12.299 -26.647 1.00 44.30 C ATOM 1352 ND1 HIS A 80 13.706 11.873 -26.652 1.00 74.12 N ATOM 1353 CD2 HIS A 80 15.706 11.353 -25.963 1.00 35.31 C ATOM 1354 CE1 HIS A 80 13.612 10.732 -26.000 1.00 14.15 C ATOM 1355 NE2 HIS A 80 14.807 10.392 -25.570 1.00 35.31 N ATOM 0 H HIS A 80 13.768 14.777 -25.938 1.00 14.41 H new ATOM 0 HA HIS A 80 16.546 14.253 -25.568 1.00 45.32 H new ATOM 0 HB2 HIS A 80 14.691 13.949 -27.958 1.00 63.34 H new ATOM 0 HB3 HIS A 80 16.345 13.373 -27.922 1.00 63.34 H new ATOM 0 HD2 HIS A 80 16.768 11.355 -25.764 1.00 35.31 H new ATOM 0 HE1 HIS A 80 12.704 10.169 -25.844 1.00 14.15 H new ATOM 0 HE2 HIS A 80 15.030 9.554 -25.033 1.00 35.31 H new ATOM 1364 N HIS A 81 17.727 16.219 -26.486 1.00 51.42 N ATOM 1365 CA HIS A 81 18.455 17.437 -26.886 1.00 32.43 C ATOM 1366 C HIS A 81 19.016 17.295 -28.318 1.00 31.24 C ATOM 1367 O HIS A 81 20.024 16.609 -28.532 1.00 35.11 O ATOM 1368 CB HIS A 81 19.606 17.724 -25.882 1.00 23.21 C ATOM 1369 CG HIS A 81 19.193 17.679 -24.429 1.00 23.41 C ATOM 1370 ND1 HIS A 81 19.572 16.663 -23.572 1.00 5.02 N ATOM 1371 CD2 HIS A 81 18.421 18.514 -23.686 1.00 21.11 C ATOM 1372 CE1 HIS A 81 19.060 16.877 -22.379 1.00 10.14 C ATOM 1373 NE2 HIS A 81 18.361 17.991 -22.416 1.00 54.05 N ATOM 0 H HIS A 81 18.235 15.644 -25.814 1.00 51.42 H new ATOM 0 HA HIS A 81 17.758 18.275 -26.875 1.00 32.43 H new ATOM 0 HB2 HIS A 81 20.402 16.997 -26.043 1.00 23.21 H new ATOM 0 HB3 HIS A 81 20.023 18.707 -26.098 1.00 23.21 H new ATOM 0 HD2 HIS A 81 17.943 19.420 -24.029 1.00 21.11 H new ATOM 0 HE1 HIS A 81 19.192 16.244 -21.514 1.00 10.14 H new ATOM 0 HE2 HIS A 81 17.856 18.400 -21.630 1.00 54.05 H new ATOM 1382 N HIS A 82 18.328 17.900 -29.299 1.00 42.54 N ATOM 1383 CA HIS A 82 18.789 17.924 -30.702 1.00 24.42 C ATOM 1384 C HIS A 82 19.890 18.998 -30.881 1.00 22.33 C ATOM 1385 O HIS A 82 19.774 20.112 -30.360 1.00 32.34 O ATOM 1386 CB HIS A 82 17.607 18.174 -31.678 1.00 64.30 C ATOM 1387 CG HIS A 82 16.927 19.506 -31.515 1.00 41.30 C ATOM 1388 ND1 HIS A 82 17.273 20.627 -32.244 1.00 70.24 N ATOM 1389 CD2 HIS A 82 15.931 19.900 -30.691 1.00 61.22 C ATOM 1390 CE1 HIS A 82 16.521 21.642 -31.865 1.00 13.13 C ATOM 1391 NE2 HIS A 82 15.704 21.226 -30.928 1.00 5.44 N ATOM 0 H HIS A 82 17.443 18.384 -29.147 1.00 42.54 H new ATOM 0 HA HIS A 82 19.211 16.948 -30.942 1.00 24.42 H new ATOM 0 HB2 HIS A 82 17.975 18.092 -32.701 1.00 64.30 H new ATOM 0 HB3 HIS A 82 16.868 17.385 -31.541 1.00 64.30 H new ATOM 0 HD2 HIS A 82 15.410 19.280 -29.976 1.00 61.22 H new ATOM 0 HE1 HIS A 82 16.570 22.646 -32.260 1.00 13.13 H new ATOM 0 HE2 HIS A 82 15.009 21.801 -30.452 1.00 5.44 H new ATOM 1400 N HIS A 83 20.963 18.634 -31.594 1.00 71.31 N ATOM 1401 CA HIS A 83 22.097 19.533 -31.884 1.00 74.24 C ATOM 1402 C HIS A 83 21.987 20.048 -33.330 1.00 14.15 C ATOM 1403 O HIS A 83 21.018 19.728 -34.031 1.00 53.20 O ATOM 1404 CB HIS A 83 23.440 18.779 -31.666 1.00 1.10 C ATOM 1405 CG HIS A 83 23.661 18.272 -30.256 1.00 41.41 C ATOM 1406 ND1 HIS A 83 24.677 18.715 -29.430 1.00 44.01 N ATOM 1407 CD2 HIS A 83 22.992 17.342 -29.532 1.00 44.22 C ATOM 1408 CE1 HIS A 83 24.615 18.078 -28.278 1.00 34.01 C ATOM 1409 NE2 HIS A 83 23.605 17.243 -28.314 1.00 71.30 N ATOM 0 H HIS A 83 21.074 17.701 -31.991 1.00 71.31 H new ATOM 0 HA HIS A 83 22.071 20.386 -31.206 1.00 74.24 H new ATOM 0 HB2 HIS A 83 23.481 17.933 -32.352 1.00 1.10 H new ATOM 0 HB3 HIS A 83 24.262 19.445 -31.931 1.00 1.10 H new ATOM 0 HD2 HIS A 83 22.129 16.780 -29.859 1.00 44.22 H new ATOM 0 HE1 HIS A 83 25.285 18.220 -27.443 1.00 34.01 H new ATOM 0 HE2 HIS A 83 23.323 16.621 -27.557 1.00 71.30 H new ATOM 1418 N HIS A 84 22.958 20.869 -33.763 1.00 31.42 N ATOM 1419 CA HIS A 84 23.057 21.318 -35.167 1.00 45.12 C ATOM 1420 C HIS A 84 24.030 20.389 -35.933 1.00 62.31 C ATOM 1421 O HIS A 84 25.260 20.540 -35.783 1.00 74.34 O ATOM 1422 CB HIS A 84 23.500 22.812 -35.258 1.00 52.25 C ATOM 1423 CG HIS A 84 22.439 23.801 -34.853 1.00 72.31 C ATOM 1424 ND1 HIS A 84 21.578 24.380 -35.759 1.00 30.43 N ATOM 1425 CD2 HIS A 84 22.087 24.300 -33.646 1.00 61.14 C ATOM 1426 CE1 HIS A 84 20.757 25.190 -35.131 1.00 71.21 C ATOM 1427 NE2 HIS A 84 21.043 25.161 -33.850 1.00 44.34 N ATOM 1428 OXT HIS A 84 23.556 19.494 -36.663 1.00 38.68 O ATOM 0 H HIS A 84 23.691 21.239 -33.158 1.00 31.42 H new ATOM 0 HA HIS A 84 22.072 21.256 -35.630 1.00 45.12 H new ATOM 0 HB2 HIS A 84 24.376 22.958 -34.626 1.00 52.25 H new ATOM 0 HB3 HIS A 84 23.807 23.026 -36.282 1.00 52.25 H new ATOM 0 HD2 HIS A 84 22.545 24.063 -32.697 1.00 61.14 H new ATOM 0 HE1 HIS A 84 19.978 25.780 -35.591 1.00 71.21 H new ATOM 0 HE2 HIS A 84 20.564 25.694 -33.124 1.00 44.34 H new TER 1437 HIS A 84