USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl -117:sc= -2.36! (180deg=-5.81!) USER MOD Set 2.1: A 56 THR OG1 : rot -160:sc= -0.418 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.13 K(o=-1.5,f=-3.3) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0754 F(o=-0.79,f=-0.075) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 124:sc= 0.392 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -56:sc= 0.218 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0162) USER MOD Single : A 34 ASN : amide:sc=-0.00291 X(o=-0.0029,f=-0.33) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.95 K(o=-1.9,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -87:sc= 0.846 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.114 K(o=-0.11,f=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 178:sc= -0.197 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 72:sc= 0.621 USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0.0247 (180deg=0.0246) USER MOD Single : A 97 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.078) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -34:sc= 0.202 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 108 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.679 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.526 1.441 0.114 1.00 13.00 N ATOM 2 CA GLY A 2 4.892 1.542 -0.365 1.00 45.03 C ATOM 3 C GLY A 2 5.116 2.771 -1.223 1.00 71.51 C ATOM 4 O GLY A 2 4.164 3.380 -1.708 1.00 71.11 O ATOM 0 HA2 GLY A 2 5.571 1.569 0.487 1.00 45.03 H new ATOM 0 HA3 GLY A 2 5.138 0.650 -0.941 1.00 45.03 H new ATOM 8 N ASN A 3 6.380 3.137 -1.411 1.00 53.30 N ATOM 9 CA ASN A 3 6.726 4.304 -2.215 1.00 64.33 C ATOM 10 C ASN A 3 7.042 3.899 -3.652 1.00 74.32 C ATOM 11 O ASN A 3 7.391 2.752 -3.923 1.00 22.42 O ATOM 12 CB ASN A 3 7.924 5.033 -1.605 1.00 4.32 C ATOM 13 CG ASN A 3 9.095 4.105 -1.345 1.00 22.01 C ATOM 14 OD1 ASN A 3 9.090 3.456 -0.187 1.00 14.52 O flip ATOM 15 ND2 ASN A 3 9.994 3.973 -2.177 1.00 40.32 N flip ATOM 0 H ASN A 3 7.181 2.643 -1.018 1.00 53.30 H new ATOM 0 HA ASN A 3 5.867 4.975 -2.225 1.00 64.33 H new ATOM 0 HB2 ASN A 3 8.239 5.832 -2.276 1.00 4.32 H new ATOM 0 HB3 ASN A 3 7.622 5.503 -0.669 1.00 4.32 H new ATOM 0 HD21 ASN A 3 9.957 4.492 -3.054 1.00 40.32 H new ATOM 0 HD22 ASN A 3 10.775 3.345 -1.988 1.00 40.32 H new ATOM 22 N GLY A 4 6.916 4.853 -4.571 1.00 1.23 N ATOM 23 CA GLY A 4 7.192 4.576 -5.969 1.00 53.23 C ATOM 24 C GLY A 4 6.233 5.291 -6.901 1.00 44.11 C ATOM 25 O GLY A 4 5.403 6.084 -6.458 1.00 42.25 O ATOM 0 H GLY A 4 6.628 5.811 -4.372 1.00 1.23 H new ATOM 0 HA2 GLY A 4 8.213 4.878 -6.202 1.00 53.23 H new ATOM 0 HA3 GLY A 4 7.130 3.502 -6.143 1.00 53.23 H new ATOM 29 N GLN A 5 6.349 5.011 -8.195 1.00 5.53 N ATOM 30 CA GLN A 5 5.486 5.635 -9.191 1.00 64.24 C ATOM 31 C GLN A 5 4.532 4.613 -9.802 1.00 40.43 C ATOM 32 O GLN A 5 4.843 3.985 -10.812 1.00 71.12 O ATOM 33 CB GLN A 5 6.329 6.284 -10.291 1.00 62.10 C ATOM 34 CG GLN A 5 7.207 7.420 -9.793 1.00 42.23 C ATOM 35 CD GLN A 5 6.725 8.779 -10.262 1.00 33.32 C ATOM 36 OE1 GLN A 5 5.732 9.306 -9.758 1.00 22.33 O ATOM 37 NE2 GLN A 5 7.427 9.355 -11.231 1.00 30.23 N ATOM 0 H GLN A 5 7.031 4.357 -8.578 1.00 5.53 H new ATOM 0 HA GLN A 5 4.895 6.404 -8.693 1.00 64.24 H new ATOM 0 HB2 GLN A 5 6.960 5.523 -10.751 1.00 62.10 H new ATOM 0 HB3 GLN A 5 5.667 6.662 -11.070 1.00 62.10 H new ATOM 0 HG2 GLN A 5 7.232 7.404 -8.703 1.00 42.23 H new ATOM 0 HG3 GLN A 5 8.229 7.262 -10.138 1.00 42.23 H new ATOM 0 HE21 GLN A 5 8.243 8.882 -11.620 1.00 30.23 H new ATOM 0 HE22 GLN A 5 7.150 10.270 -11.587 1.00 30.23 H new ATOM 46 N GLY A 6 3.368 4.453 -9.180 1.00 10.03 N ATOM 47 CA GLY A 6 2.386 3.507 -9.675 1.00 63.23 C ATOM 48 C GLY A 6 1.443 4.126 -10.687 1.00 65.14 C ATOM 49 O GLY A 6 1.439 5.343 -10.879 1.00 21.24 O ATOM 0 H GLY A 6 3.088 4.962 -8.342 1.00 10.03 H new ATOM 0 HA2 GLY A 6 2.899 2.661 -10.132 1.00 63.23 H new ATOM 0 HA3 GLY A 6 1.809 3.115 -8.837 1.00 63.23 H new ATOM 53 N ARG A 7 0.643 3.289 -11.338 1.00 21.51 N ATOM 54 CA ARG A 7 -0.307 3.761 -12.339 1.00 53.21 C ATOM 55 C ARG A 7 -1.236 4.818 -11.749 1.00 31.52 C ATOM 56 O ARG A 7 -1.477 5.859 -12.361 1.00 64.24 O ATOM 57 CB ARG A 7 -1.129 2.592 -12.885 1.00 2.40 C ATOM 58 CG ARG A 7 -1.798 1.760 -11.803 1.00 21.14 C ATOM 59 CD ARG A 7 -2.442 0.510 -12.381 1.00 23.10 C ATOM 60 NE ARG A 7 -3.566 0.048 -11.571 1.00 74.33 N ATOM 61 CZ ARG A 7 -4.747 0.657 -11.537 1.00 62.12 C ATOM 62 NH1 ARG A 7 -4.955 1.746 -12.264 1.00 53.11 N ATOM 63 NH2 ARG A 7 -5.720 0.177 -10.774 1.00 71.31 N ATOM 0 H ARG A 7 0.633 2.280 -11.191 1.00 21.51 H new ATOM 0 HA ARG A 7 0.257 4.212 -13.156 1.00 53.21 H new ATOM 0 HB2 ARG A 7 -1.894 2.980 -13.558 1.00 2.40 H new ATOM 0 HB3 ARG A 7 -0.480 1.948 -13.478 1.00 2.40 H new ATOM 0 HG2 ARG A 7 -1.061 1.477 -11.052 1.00 21.14 H new ATOM 0 HG3 ARG A 7 -2.554 2.360 -11.297 1.00 21.14 H new ATOM 0 HD2 ARG A 7 -2.786 0.715 -13.395 1.00 23.10 H new ATOM 0 HD3 ARG A 7 -1.697 -0.282 -12.452 1.00 23.10 H new ATOM 0 HE ARG A 7 -3.438 -0.788 -11.000 1.00 74.33 H new ATOM 0 HH11 ARG A 7 -4.208 2.118 -12.851 1.00 53.11 H new ATOM 0 HH12 ARG A 7 -5.862 2.212 -12.237 1.00 53.11 H new ATOM 0 HH21 ARG A 7 -5.562 -0.660 -10.213 1.00 71.31 H new ATOM 0 HH22 ARG A 7 -6.626 0.645 -10.748 1.00 71.31 H new ATOM 77 N ASP A 8 -1.757 4.544 -10.557 1.00 65.25 N ATOM 78 CA ASP A 8 -2.658 5.470 -9.885 1.00 11.53 C ATOM 79 C ASP A 8 -1.893 6.669 -9.331 1.00 71.41 C ATOM 80 O ASP A 8 -2.442 7.763 -9.205 1.00 30.10 O ATOM 81 CB ASP A 8 -3.405 4.760 -8.754 1.00 42.04 C ATOM 82 CG ASP A 8 -4.373 3.713 -9.268 1.00 63.24 C ATOM 83 OD1 ASP A 8 -4.566 2.692 -8.575 1.00 31.14 O ATOM 84 OD2 ASP A 8 -4.938 3.914 -10.363 1.00 64.22 O ATOM 0 H ASP A 8 -1.570 3.687 -10.037 1.00 65.25 H new ATOM 0 HA ASP A 8 -3.380 5.830 -10.618 1.00 11.53 H new ATOM 0 HB2 ASP A 8 -2.684 4.288 -8.087 1.00 42.04 H new ATOM 0 HB3 ASP A 8 -3.950 5.497 -8.164 1.00 42.04 H new ATOM 89 N TRP A 9 -0.625 6.453 -9.003 1.00 55.21 N ATOM 90 CA TRP A 9 0.215 7.516 -8.462 1.00 65.22 C ATOM 91 C TRP A 9 0.472 8.593 -9.511 1.00 13.52 C ATOM 92 O TRP A 9 0.136 9.760 -9.310 1.00 55.04 O ATOM 93 CB TRP A 9 1.544 6.942 -7.967 1.00 33.32 C ATOM 94 CG TRP A 9 2.180 7.762 -6.887 1.00 15.21 C ATOM 95 CD1 TRP A 9 3.458 8.244 -6.868 1.00 1.22 C ATOM 96 CD2 TRP A 9 1.567 8.196 -5.667 1.00 64.15 C ATOM 97 NE1 TRP A 9 3.677 8.951 -5.711 1.00 3.42 N ATOM 98 CE2 TRP A 9 2.533 8.938 -4.957 1.00 25.35 C ATOM 99 CE3 TRP A 9 0.299 8.033 -5.107 1.00 35.22 C ATOM 100 CZ2 TRP A 9 2.266 9.511 -3.717 1.00 5.22 C ATOM 101 CZ3 TRP A 9 0.035 8.602 -3.876 1.00 63.14 C ATOM 102 CH2 TRP A 9 1.015 9.334 -3.191 1.00 74.44 C ATOM 0 H TRP A 9 -0.156 5.553 -9.102 1.00 55.21 H new ATOM 0 HA TRP A 9 -0.312 7.970 -7.623 1.00 65.22 H new ATOM 0 HB2 TRP A 9 1.379 5.931 -7.596 1.00 33.32 H new ATOM 0 HB3 TRP A 9 2.233 6.864 -8.808 1.00 33.32 H new ATOM 0 HD1 TRP A 9 4.189 8.092 -7.648 1.00 1.22 H new ATOM 0 HE1 TRP A 9 4.550 9.411 -5.454 1.00 3.42 H new ATOM 0 HE3 TRP A 9 -0.463 7.472 -5.627 1.00 35.22 H new ATOM 0 HZ2 TRP A 9 3.020 10.076 -3.188 1.00 5.22 H new ATOM 0 HZ3 TRP A 9 -0.943 8.481 -3.434 1.00 63.14 H new ATOM 0 HH2 TRP A 9 0.778 9.766 -2.230 1.00 74.44 H new ATOM 113 N LYS A 10 1.071 8.195 -10.628 1.00 34.34 N ATOM 114 CA LYS A 10 1.372 9.127 -11.708 1.00 24.54 C ATOM 115 C LYS A 10 0.092 9.736 -12.274 1.00 43.32 C ATOM 116 O LYS A 10 0.027 10.938 -12.529 1.00 34.21 O ATOM 117 CB LYS A 10 2.145 8.416 -12.821 1.00 41.45 C ATOM 118 CG LYS A 10 3.450 9.101 -13.188 1.00 44.35 C ATOM 119 CD LYS A 10 3.811 8.870 -14.645 1.00 44.14 C ATOM 120 CE LYS A 10 5.105 8.082 -14.781 1.00 42.31 C ATOM 121 NZ LYS A 10 5.504 7.909 -16.205 1.00 22.24 N ATOM 0 H LYS A 10 1.358 7.233 -10.809 1.00 34.34 H new ATOM 0 HA LYS A 10 1.987 9.930 -11.301 1.00 24.54 H new ATOM 0 HB2 LYS A 10 2.356 7.393 -12.509 1.00 41.45 H new ATOM 0 HB3 LYS A 10 1.514 8.355 -13.708 1.00 41.45 H new ATOM 0 HG2 LYS A 10 3.366 10.171 -12.998 1.00 44.35 H new ATOM 0 HG3 LYS A 10 4.250 8.726 -12.550 1.00 44.35 H new ATOM 0 HD2 LYS A 10 3.003 8.332 -15.140 1.00 44.14 H new ATOM 0 HD3 LYS A 10 3.913 9.829 -15.152 1.00 44.14 H new ATOM 0 HE2 LYS A 10 5.901 8.595 -14.241 1.00 42.31 H new ATOM 0 HE3 LYS A 10 4.984 7.103 -14.317 1.00 42.31 H new ATOM 0 HZ1 LYS A 10 6.390 7.367 -16.254 1.00 22.24 H new ATOM 0 HZ2 LYS A 10 4.756 7.397 -16.715 1.00 22.24 H new ATOM 0 HZ3 LYS A 10 5.644 8.842 -16.642 1.00 22.24 H new ATOM 135 N MET A 11 -0.922 8.899 -12.466 1.00 12.54 N ATOM 136 CA MET A 11 -2.200 9.357 -12.998 1.00 25.33 C ATOM 137 C MET A 11 -2.849 10.368 -12.059 1.00 12.13 C ATOM 138 O MET A 11 -3.462 11.338 -12.504 1.00 62.42 O ATOM 139 CB MET A 11 -3.141 8.169 -13.216 1.00 42.34 C ATOM 140 CG MET A 11 -2.816 7.359 -14.461 1.00 14.13 C ATOM 141 SD MET A 11 -3.728 5.804 -14.534 1.00 51.11 S ATOM 142 CE MET A 11 -2.907 4.995 -15.904 1.00 22.15 C ATOM 0 H MET A 11 -0.884 7.900 -12.261 1.00 12.54 H new ATOM 0 HA MET A 11 -2.013 9.844 -13.955 1.00 25.33 H new ATOM 0 HB2 MET A 11 -3.096 7.515 -12.345 1.00 42.34 H new ATOM 0 HB3 MET A 11 -4.165 8.535 -13.287 1.00 42.34 H new ATOM 0 HG2 MET A 11 -3.045 7.952 -15.346 1.00 14.13 H new ATOM 0 HG3 MET A 11 -1.746 7.150 -14.485 1.00 14.13 H new ATOM 0 HE1 MET A 11 -3.360 4.018 -16.074 1.00 22.15 H new ATOM 0 HE2 MET A 11 -3.011 5.604 -16.802 1.00 22.15 H new ATOM 0 HE3 MET A 11 -1.849 4.870 -15.672 1.00 22.15 H new ATOM 152 N ALA A 12 -2.711 10.135 -10.758 1.00 61.13 N ATOM 153 CA ALA A 12 -3.282 11.028 -9.757 1.00 71.43 C ATOM 154 C ALA A 12 -2.687 12.428 -9.866 1.00 20.41 C ATOM 155 O ALA A 12 -3.416 13.417 -9.947 1.00 15.11 O ATOM 156 CB ALA A 12 -3.059 10.466 -8.361 1.00 12.21 C ATOM 0 H ALA A 12 -2.209 9.335 -10.372 1.00 61.13 H new ATOM 0 HA ALA A 12 -4.354 11.102 -9.941 1.00 71.43 H new ATOM 0 HB1 ALA A 12 -3.490 11.143 -7.623 1.00 12.21 H new ATOM 0 HB2 ALA A 12 -3.537 9.490 -8.281 1.00 12.21 H new ATOM 0 HB3 ALA A 12 -1.990 10.362 -8.177 1.00 12.21 H new ATOM 162 N ILE A 13 -1.361 12.504 -9.869 1.00 73.00 N ATOM 163 CA ILE A 13 -0.670 13.784 -9.969 1.00 52.22 C ATOM 164 C ILE A 13 -0.893 14.423 -11.335 1.00 42.51 C ATOM 165 O ILE A 13 -1.150 15.623 -11.437 1.00 23.03 O ATOM 166 CB ILE A 13 0.843 13.627 -9.727 1.00 75.33 C ATOM 167 CG1 ILE A 13 1.102 13.039 -8.340 1.00 3.12 C ATOM 168 CG2 ILE A 13 1.545 14.967 -9.881 1.00 52.15 C ATOM 169 CD1 ILE A 13 2.571 12.866 -8.022 1.00 4.11 C ATOM 0 H ILE A 13 -0.743 11.695 -9.803 1.00 73.00 H new ATOM 0 HA ILE A 13 -1.087 14.430 -9.197 1.00 52.22 H new ATOM 0 HB ILE A 13 1.246 12.940 -10.472 1.00 75.33 H new ATOM 0 HG12 ILE A 13 0.650 13.687 -7.589 1.00 3.12 H new ATOM 0 HG13 ILE A 13 0.606 12.071 -8.266 1.00 3.12 H new ATOM 0 HG21 ILE A 13 2.614 14.840 -9.707 1.00 52.15 H new ATOM 0 HG22 ILE A 13 1.384 15.348 -10.889 1.00 52.15 H new ATOM 0 HG23 ILE A 13 1.141 15.675 -9.157 1.00 52.15 H new ATOM 0 HD11 ILE A 13 2.680 12.444 -7.023 1.00 4.11 H new ATOM 0 HD12 ILE A 13 3.024 12.194 -8.751 1.00 4.11 H new ATOM 0 HD13 ILE A 13 3.069 13.835 -8.063 1.00 4.11 H new ATOM 181 N LYS A 14 -0.793 13.614 -12.385 1.00 2.43 N ATOM 182 CA LYS A 14 -0.986 14.098 -13.746 1.00 42.03 C ATOM 183 C LYS A 14 -2.390 14.666 -13.928 1.00 5.11 C ATOM 184 O LYS A 14 -2.618 15.520 -14.783 1.00 34.40 O ATOM 185 CB LYS A 14 -0.747 12.968 -14.750 1.00 12.42 C ATOM 186 CG LYS A 14 0.722 12.660 -14.981 1.00 53.32 C ATOM 187 CD LYS A 14 1.275 13.438 -16.164 1.00 32.01 C ATOM 188 CE LYS A 14 2.789 13.321 -16.249 1.00 53.21 C ATOM 189 NZ LYS A 14 3.396 14.487 -16.948 1.00 53.14 N ATOM 0 H LYS A 14 -0.579 12.619 -12.318 1.00 2.43 H new ATOM 0 HA LYS A 14 -0.265 14.895 -13.927 1.00 42.03 H new ATOM 0 HB2 LYS A 14 -1.247 12.067 -14.396 1.00 12.42 H new ATOM 0 HB3 LYS A 14 -1.208 13.235 -15.701 1.00 12.42 H new ATOM 0 HG2 LYS A 14 1.292 12.905 -14.085 1.00 53.32 H new ATOM 0 HG3 LYS A 14 0.848 11.592 -15.156 1.00 53.32 H new ATOM 0 HD2 LYS A 14 0.828 13.067 -17.086 1.00 32.01 H new ATOM 0 HD3 LYS A 14 0.995 14.487 -16.074 1.00 32.01 H new ATOM 0 HE2 LYS A 14 3.204 13.243 -15.244 1.00 53.21 H new ATOM 0 HE3 LYS A 14 3.054 12.404 -16.775 1.00 53.21 H new ATOM 0 HZ1 LYS A 14 4.429 14.370 -16.986 1.00 53.14 H new ATOM 0 HZ2 LYS A 14 3.019 14.547 -17.915 1.00 53.14 H new ATOM 0 HZ3 LYS A 14 3.165 15.360 -16.432 1.00 53.14 H new ATOM 203 N ARG A 15 -3.327 14.186 -13.116 1.00 42.24 N ATOM 204 CA ARG A 15 -4.709 14.646 -13.187 1.00 61.45 C ATOM 205 C ARG A 15 -4.859 16.017 -12.537 1.00 1.52 C ATOM 206 O ARG A 15 -5.315 16.970 -13.170 1.00 70.33 O ATOM 207 CB ARG A 15 -5.639 13.640 -12.506 1.00 75.22 C ATOM 208 CG ARG A 15 -6.402 12.760 -13.481 1.00 20.44 C ATOM 209 CD ARG A 15 -6.543 11.339 -12.957 1.00 52.13 C ATOM 210 NE ARG A 15 -6.432 10.348 -14.024 1.00 44.33 N ATOM 211 CZ ARG A 15 -7.409 10.082 -14.884 1.00 45.13 C ATOM 212 NH1 ARG A 15 -8.563 10.729 -14.803 1.00 51.55 N ATOM 213 NH2 ARG A 15 -7.232 9.166 -15.828 1.00 50.32 N ATOM 0 H ARG A 15 -3.154 13.479 -12.402 1.00 42.24 H new ATOM 0 HA ARG A 15 -4.985 14.730 -14.238 1.00 61.45 H new ATOM 0 HB2 ARG A 15 -5.051 13.007 -11.841 1.00 75.22 H new ATOM 0 HB3 ARG A 15 -6.352 14.181 -11.883 1.00 75.22 H new ATOM 0 HG2 ARG A 15 -7.391 13.183 -13.658 1.00 20.44 H new ATOM 0 HG3 ARG A 15 -5.885 12.745 -14.441 1.00 20.44 H new ATOM 0 HD2 ARG A 15 -5.775 11.151 -12.207 1.00 52.13 H new ATOM 0 HD3 ARG A 15 -7.507 11.230 -12.460 1.00 52.13 H new ATOM 0 HE ARG A 15 -5.557 9.832 -14.114 1.00 44.33 H new ATOM 0 HH11 ARG A 15 -8.703 11.434 -14.079 1.00 51.55 H new ATOM 0 HH12 ARG A 15 -9.311 10.522 -15.465 1.00 51.55 H new ATOM 0 HH21 ARG A 15 -6.345 8.666 -15.893 1.00 50.32 H new ATOM 0 HH22 ARG A 15 -7.983 8.962 -16.488 1.00 50.32 H new ATOM 227 N CYS A 16 -4.474 16.110 -11.268 1.00 33.30 N ATOM 228 CA CYS A 16 -4.567 17.365 -10.530 1.00 31.14 C ATOM 229 C CYS A 16 -3.679 18.433 -11.159 1.00 2.02 C ATOM 230 O CYS A 16 -3.918 19.629 -10.995 1.00 0.53 O ATOM 231 CB CYS A 16 -4.172 17.151 -9.068 1.00 34.21 C ATOM 232 SG CYS A 16 -2.405 16.865 -8.816 1.00 5.12 S ATOM 0 H CYS A 16 -4.095 15.331 -10.729 1.00 33.30 H new ATOM 0 HA CYS A 16 -5.601 17.708 -10.573 1.00 31.14 H new ATOM 0 HB2 CYS A 16 -4.474 18.024 -8.490 1.00 34.21 H new ATOM 0 HB3 CYS A 16 -4.727 16.300 -8.674 1.00 34.21 H new ATOM 0 HG CYS A 16 -1.940 17.739 -7.974 1.00 5.12 H new ATOM 238 N SER A 17 -2.652 17.992 -11.879 1.00 35.12 N ATOM 239 CA SER A 17 -1.724 18.911 -12.529 1.00 2.34 C ATOM 240 C SER A 17 -2.474 19.922 -13.390 1.00 22.42 C ATOM 241 O SER A 17 -2.017 21.047 -13.584 1.00 61.32 O ATOM 242 CB SER A 17 -0.723 18.136 -13.387 1.00 3.12 C ATOM 243 OG SER A 17 -0.342 18.885 -14.528 1.00 5.02 O ATOM 0 H SER A 17 -2.442 17.005 -12.027 1.00 35.12 H new ATOM 0 HA SER A 17 -1.183 19.452 -11.752 1.00 2.34 H new ATOM 0 HB2 SER A 17 0.160 17.896 -12.794 1.00 3.12 H new ATOM 0 HB3 SER A 17 -1.164 17.189 -13.700 1.00 3.12 H new ATOM 0 HG SER A 17 0.299 18.368 -15.059 1.00 5.02 H new ATOM 249 N ASN A 18 -3.629 19.511 -13.903 1.00 35.10 N ATOM 250 CA ASN A 18 -4.443 20.380 -14.745 1.00 33.54 C ATOM 251 C ASN A 18 -5.388 21.228 -13.898 1.00 34.35 C ATOM 252 O ASN A 18 -5.775 22.328 -14.293 1.00 1.31 O ATOM 253 CB ASN A 18 -5.247 19.548 -15.747 1.00 72.54 C ATOM 254 CG ASN A 18 -4.570 19.462 -17.101 1.00 62.23 C ATOM 255 OD1 ASN A 18 -5.008 20.087 -18.068 1.00 42.31 O ATOM 256 ND2 ASN A 18 -3.495 18.686 -17.177 1.00 62.42 N ATOM 0 H ASN A 18 -4.022 18.582 -13.751 1.00 35.10 H new ATOM 0 HA ASN A 18 -3.774 21.046 -15.290 1.00 33.54 H new ATOM 0 HB2 ASN A 18 -5.388 18.543 -15.350 1.00 72.54 H new ATOM 0 HB3 ASN A 18 -6.238 19.986 -15.866 1.00 72.54 H new ATOM 0 HD21 ASN A 18 -2.997 18.590 -18.062 1.00 62.42 H new ATOM 0 HD22 ASN A 18 -3.167 18.186 -16.350 1.00 62.42 H new ATOM 263 N VAL A 19 -5.756 20.708 -12.732 1.00 5.21 N ATOM 264 CA VAL A 19 -6.655 21.417 -11.828 1.00 43.52 C ATOM 265 C VAL A 19 -6.009 22.693 -11.302 1.00 3.51 C ATOM 266 O VAL A 19 -4.801 22.738 -11.063 1.00 33.31 O ATOM 267 CB VAL A 19 -7.064 20.532 -10.635 1.00 24.22 C ATOM 268 CG1 VAL A 19 -8.011 21.284 -9.713 1.00 10.14 C ATOM 269 CG2 VAL A 19 -7.698 19.239 -11.125 1.00 64.32 C ATOM 0 H VAL A 19 -5.446 19.798 -12.391 1.00 5.21 H new ATOM 0 HA VAL A 19 -7.545 21.673 -12.402 1.00 43.52 H new ATOM 0 HB VAL A 19 -6.168 20.279 -10.068 1.00 24.22 H new ATOM 0 HG11 VAL A 19 -8.289 20.643 -8.876 1.00 10.14 H new ATOM 0 HG12 VAL A 19 -7.517 22.179 -9.336 1.00 10.14 H new ATOM 0 HG13 VAL A 19 -8.907 21.569 -10.265 1.00 10.14 H new ATOM 0 HG21 VAL A 19 -7.981 18.626 -10.270 1.00 64.32 H new ATOM 0 HG22 VAL A 19 -8.585 19.470 -11.715 1.00 64.32 H new ATOM 0 HG23 VAL A 19 -6.983 18.694 -11.742 1.00 64.32 H new ATOM 279 N ALA A 20 -6.820 23.730 -11.121 1.00 3.13 N ATOM 280 CA ALA A 20 -6.329 25.007 -10.619 1.00 21.23 C ATOM 281 C ALA A 20 -5.938 24.906 -9.148 1.00 71.35 C ATOM 282 O ALA A 20 -6.404 24.021 -8.432 1.00 10.40 O ATOM 283 CB ALA A 20 -7.379 26.091 -10.815 1.00 1.03 C ATOM 0 H ALA A 20 -7.821 23.710 -11.315 1.00 3.13 H new ATOM 0 HA ALA A 20 -5.438 25.273 -11.187 1.00 21.23 H new ATOM 0 HB1 ALA A 20 -6.998 27.039 -10.435 1.00 1.03 H new ATOM 0 HB2 ALA A 20 -7.606 26.190 -11.876 1.00 1.03 H new ATOM 0 HB3 ALA A 20 -8.286 25.821 -10.274 1.00 1.03 H new ATOM 289 N VAL A 21 -5.078 25.818 -8.706 1.00 10.43 N ATOM 290 CA VAL A 21 -4.625 25.832 -7.320 1.00 51.10 C ATOM 291 C VAL A 21 -4.976 27.151 -6.640 1.00 3.42 C ATOM 292 O VAL A 21 -4.283 27.592 -5.724 1.00 13.11 O ATOM 293 CB VAL A 21 -3.105 25.607 -7.225 1.00 44.32 C ATOM 294 CG1 VAL A 21 -2.761 24.152 -7.506 1.00 3.31 C ATOM 295 CG2 VAL A 21 -2.368 26.531 -8.184 1.00 14.20 C ATOM 0 H VAL A 21 -4.681 26.556 -9.287 1.00 10.43 H new ATOM 0 HA VAL A 21 -5.138 25.016 -6.811 1.00 51.10 H new ATOM 0 HB VAL A 21 -2.784 25.842 -6.210 1.00 44.32 H new ATOM 0 HG11 VAL A 21 -1.682 24.013 -7.434 1.00 3.31 H new ATOM 0 HG12 VAL A 21 -3.259 23.513 -6.777 1.00 3.31 H new ATOM 0 HG13 VAL A 21 -3.095 23.886 -8.509 1.00 3.31 H new ATOM 0 HG21 VAL A 21 -1.295 26.358 -8.103 1.00 14.20 H new ATOM 0 HG22 VAL A 21 -2.692 26.329 -9.205 1.00 14.20 H new ATOM 0 HG23 VAL A 21 -2.588 27.568 -7.932 1.00 14.20 H new ATOM 305 N GLY A 22 -6.059 27.774 -7.094 1.00 54.25 N ATOM 306 CA GLY A 22 -6.484 29.036 -6.518 1.00 15.43 C ATOM 307 C GLY A 22 -7.331 29.854 -7.473 1.00 53.05 C ATOM 308 O GLY A 22 -7.446 29.522 -8.652 1.00 61.41 O ATOM 0 H GLY A 22 -6.649 27.427 -7.850 1.00 54.25 H new ATOM 0 HA2 GLY A 22 -7.052 28.843 -5.608 1.00 15.43 H new ATOM 0 HA3 GLY A 22 -5.606 29.614 -6.230 1.00 15.43 H new ATOM 312 N VAL A 23 -7.928 30.927 -6.962 1.00 72.32 N ATOM 313 CA VAL A 23 -8.770 31.794 -7.779 1.00 40.42 C ATOM 314 C VAL A 23 -8.104 33.146 -8.010 1.00 63.52 C ATOM 315 O VAL A 23 -7.713 33.472 -9.131 1.00 42.15 O ATOM 316 CB VAL A 23 -10.145 32.018 -7.124 1.00 4.14 C ATOM 317 CG1 VAL A 23 -11.008 32.925 -7.989 1.00 41.13 C ATOM 318 CG2 VAL A 23 -10.839 30.688 -6.875 1.00 23.43 C ATOM 0 H VAL A 23 -7.844 31.216 -5.987 1.00 72.32 H new ATOM 0 HA VAL A 23 -8.909 31.291 -8.736 1.00 40.42 H new ATOM 0 HB VAL A 23 -9.994 32.509 -6.163 1.00 4.14 H new ATOM 0 HG11 VAL A 23 -11.976 33.072 -7.510 1.00 41.13 H new ATOM 0 HG12 VAL A 23 -10.514 33.889 -8.111 1.00 41.13 H new ATOM 0 HG13 VAL A 23 -11.153 32.465 -8.966 1.00 41.13 H new ATOM 0 HG21 VAL A 23 -11.810 30.865 -6.412 1.00 23.43 H new ATOM 0 HG22 VAL A 23 -10.979 30.168 -7.822 1.00 23.43 H new ATOM 0 HG23 VAL A 23 -10.227 30.077 -6.212 1.00 23.43 H new ATOM 328 N GLY A 24 -7.976 33.929 -6.944 1.00 21.13 N ATOM 329 CA GLY A 24 -7.357 35.236 -7.052 1.00 45.21 C ATOM 330 C GLY A 24 -5.844 35.158 -7.103 1.00 64.32 C ATOM 331 O GLY A 24 -5.256 34.134 -6.758 1.00 53.41 O ATOM 0 H GLY A 24 -8.291 33.681 -6.006 1.00 21.13 H new ATOM 0 HA2 GLY A 24 -7.723 35.735 -7.950 1.00 45.21 H new ATOM 0 HA3 GLY A 24 -7.658 35.849 -6.202 1.00 45.21 H new ATOM 335 N GLY A 25 -5.211 36.244 -7.537 1.00 51.15 N ATOM 336 CA GLY A 25 -3.763 36.273 -7.626 1.00 21.13 C ATOM 337 C GLY A 25 -3.252 35.721 -8.942 1.00 33.41 C ATOM 338 O GLY A 25 -3.199 36.433 -9.945 1.00 52.02 O ATOM 0 H GLY A 25 -5.675 37.104 -7.828 1.00 51.15 H new ATOM 0 HA2 GLY A 25 -3.415 37.299 -7.506 1.00 21.13 H new ATOM 0 HA3 GLY A 25 -3.340 35.695 -6.804 1.00 21.13 H new ATOM 342 N LYS A 26 -2.874 34.447 -8.941 1.00 45.31 N ATOM 343 CA LYS A 26 -2.363 33.798 -10.143 1.00 41.32 C ATOM 344 C LYS A 26 -3.234 32.607 -10.529 1.00 31.31 C ATOM 345 O LYS A 26 -4.017 32.110 -9.720 1.00 62.23 O ATOM 346 CB LYS A 26 -0.920 33.339 -9.926 1.00 41.02 C ATOM 347 CG LYS A 26 0.100 34.459 -10.046 1.00 32.32 C ATOM 348 CD LYS A 26 1.481 33.922 -10.382 1.00 54.23 C ATOM 349 CE LYS A 26 2.340 33.775 -9.134 1.00 73.42 C ATOM 350 NZ LYS A 26 3.636 34.496 -9.266 1.00 41.31 N ATOM 0 H LYS A 26 -2.912 33.843 -8.120 1.00 45.31 H new ATOM 0 HA LYS A 26 -2.388 34.523 -10.956 1.00 41.32 H new ATOM 0 HB2 LYS A 26 -0.836 32.887 -8.938 1.00 41.02 H new ATOM 0 HB3 LYS A 26 -0.682 32.562 -10.653 1.00 41.02 H new ATOM 0 HG2 LYS A 26 -0.217 35.160 -10.819 1.00 32.32 H new ATOM 0 HG3 LYS A 26 0.143 35.015 -9.110 1.00 32.32 H new ATOM 0 HD2 LYS A 26 1.386 32.955 -10.876 1.00 54.23 H new ATOM 0 HD3 LYS A 26 1.972 34.593 -11.086 1.00 54.23 H new ATOM 0 HE2 LYS A 26 1.796 34.160 -8.271 1.00 73.42 H new ATOM 0 HE3 LYS A 26 2.530 32.718 -8.946 1.00 73.42 H new ATOM 0 HZ1 LYS A 26 4.192 34.372 -8.396 1.00 41.31 H new ATOM 0 HZ2 LYS A 26 4.166 34.112 -10.074 1.00 41.31 H new ATOM 0 HZ3 LYS A 26 3.456 35.509 -9.420 1.00 41.31 H new ATOM 364 N SER A 27 -3.090 32.154 -11.771 1.00 20.14 N ATOM 365 CA SER A 27 -3.866 31.022 -12.265 1.00 42.32 C ATOM 366 C SER A 27 -2.972 29.806 -12.485 1.00 23.43 C ATOM 367 O SER A 27 -2.939 29.233 -13.575 1.00 22.24 O ATOM 368 CB SER A 27 -4.573 31.392 -13.570 1.00 53.32 C ATOM 369 OG SER A 27 -5.471 30.371 -13.971 1.00 54.43 O ATOM 0 H SER A 27 -2.444 32.553 -12.452 1.00 20.14 H new ATOM 0 HA SER A 27 -4.614 30.770 -11.514 1.00 42.32 H new ATOM 0 HB2 SER A 27 -5.116 32.328 -13.440 1.00 53.32 H new ATOM 0 HB3 SER A 27 -3.834 31.559 -14.353 1.00 53.32 H new ATOM 0 HG SER A 27 -4.988 29.522 -14.046 1.00 54.43 H new ATOM 375 N LYS A 28 -2.246 29.416 -11.442 1.00 21.42 N ATOM 376 CA LYS A 28 -1.351 28.266 -11.519 1.00 14.32 C ATOM 377 C LYS A 28 -2.119 26.965 -11.308 1.00 64.00 C ATOM 378 O LYS A 28 -3.280 26.975 -10.900 1.00 14.14 O ATOM 379 CB LYS A 28 -0.239 28.390 -10.475 1.00 15.12 C ATOM 380 CG LYS A 28 0.736 29.520 -10.757 1.00 10.31 C ATOM 381 CD LYS A 28 2.134 28.994 -11.031 1.00 52.34 C ATOM 382 CE LYS A 28 2.931 29.957 -11.899 1.00 1.20 C ATOM 383 NZ LYS A 28 4.318 29.470 -12.138 1.00 3.41 N ATOM 0 H LYS A 28 -2.260 29.879 -10.533 1.00 21.42 H new ATOM 0 HA LYS A 28 -0.906 28.248 -12.514 1.00 14.32 H new ATOM 0 HB2 LYS A 28 -0.688 28.545 -9.494 1.00 15.12 H new ATOM 0 HB3 LYS A 28 0.311 27.450 -10.428 1.00 15.12 H new ATOM 0 HG2 LYS A 28 0.388 30.096 -11.614 1.00 10.31 H new ATOM 0 HG3 LYS A 28 0.762 30.200 -9.906 1.00 10.31 H new ATOM 0 HD2 LYS A 28 2.656 28.836 -10.087 1.00 52.34 H new ATOM 0 HD3 LYS A 28 2.069 28.025 -11.526 1.00 52.34 H new ATOM 0 HE2 LYS A 28 2.423 30.090 -12.854 1.00 1.20 H new ATOM 0 HE3 LYS A 28 2.967 30.935 -11.418 1.00 1.20 H new ATOM 0 HZ1 LYS A 28 4.828 30.154 -12.733 1.00 3.41 H new ATOM 0 HZ2 LYS A 28 4.811 29.367 -11.228 1.00 3.41 H new ATOM 0 HZ3 LYS A 28 4.284 28.549 -12.620 1.00 3.41 H new ATOM 397 N LYS A 29 -1.461 25.844 -11.587 1.00 33.30 N ATOM 398 CA LYS A 29 -2.079 24.534 -11.426 1.00 21.20 C ATOM 399 C LYS A 29 -1.280 23.672 -10.454 1.00 30.42 C ATOM 400 O LYS A 29 -0.171 24.031 -10.057 1.00 43.12 O ATOM 401 CB LYS A 29 -2.187 23.828 -12.779 1.00 71.55 C ATOM 402 CG LYS A 29 -2.706 24.723 -13.893 1.00 4.42 C ATOM 403 CD LYS A 29 -1.589 25.152 -14.828 1.00 75.32 C ATOM 404 CE LYS A 29 -1.843 26.539 -15.400 1.00 62.01 C ATOM 405 NZ LYS A 29 -0.615 27.381 -15.377 1.00 34.24 N ATOM 0 H LYS A 29 -0.499 25.817 -11.926 1.00 33.30 H new ATOM 0 HA LYS A 29 -3.079 24.680 -11.018 1.00 21.20 H new ATOM 0 HB2 LYS A 29 -1.206 23.446 -13.059 1.00 71.55 H new ATOM 0 HB3 LYS A 29 -2.848 22.967 -12.678 1.00 71.55 H new ATOM 0 HG2 LYS A 29 -3.473 24.194 -14.459 1.00 4.42 H new ATOM 0 HG3 LYS A 29 -3.180 25.605 -13.462 1.00 4.42 H new ATOM 0 HD2 LYS A 29 -0.641 25.147 -14.290 1.00 75.32 H new ATOM 0 HD3 LYS A 29 -1.498 24.433 -15.642 1.00 75.32 H new ATOM 0 HE2 LYS A 29 -2.203 26.449 -16.425 1.00 62.01 H new ATOM 0 HE3 LYS A 29 -2.631 27.029 -14.828 1.00 62.01 H new ATOM 0 HZ1 LYS A 29 -0.848 28.343 -15.695 1.00 34.24 H new ATOM 0 HZ2 LYS A 29 -0.238 27.418 -14.409 1.00 34.24 H new ATOM 0 HZ3 LYS A 29 0.100 26.970 -16.011 1.00 34.24 H new ATOM 419 N PHE A 30 -1.850 22.532 -10.074 1.00 71.24 N ATOM 420 CA PHE A 30 -1.190 21.618 -9.150 1.00 15.41 C ATOM 421 C PHE A 30 0.042 20.988 -9.793 1.00 2.44 C ATOM 422 O PHE A 30 0.269 21.128 -10.994 1.00 53.32 O ATOM 423 CB PHE A 30 -2.161 20.524 -8.701 1.00 14.33 C ATOM 424 CG PHE A 30 -2.182 20.315 -7.213 1.00 4.40 C ATOM 425 CD1 PHE A 30 -1.349 19.379 -6.621 1.00 63.01 C ATOM 426 CD2 PHE A 30 -3.033 21.053 -6.408 1.00 13.20 C ATOM 427 CE1 PHE A 30 -1.366 19.183 -5.252 1.00 42.35 C ATOM 428 CE2 PHE A 30 -3.054 20.863 -5.039 1.00 5.12 C ATOM 429 CZ PHE A 30 -2.219 19.926 -4.461 1.00 3.12 C ATOM 0 H PHE A 30 -2.767 22.220 -10.392 1.00 71.24 H new ATOM 0 HA PHE A 30 -0.870 22.190 -8.279 1.00 15.41 H new ATOM 0 HB2 PHE A 30 -3.165 20.780 -9.038 1.00 14.33 H new ATOM 0 HB3 PHE A 30 -1.891 19.587 -9.188 1.00 14.33 H new ATOM 0 HD1 PHE A 30 -0.679 18.796 -7.236 1.00 63.01 H new ATOM 0 HD2 PHE A 30 -3.688 21.786 -6.855 1.00 13.20 H new ATOM 0 HE1 PHE A 30 -0.713 18.450 -4.803 1.00 42.35 H new ATOM 0 HE2 PHE A 30 -3.722 21.446 -4.422 1.00 5.12 H new ATOM 0 HZ PHE A 30 -2.234 19.775 -3.392 1.00 3.12 H new ATOM 439 N GLY A 31 0.834 20.292 -8.984 1.00 45.41 N ATOM 440 CA GLY A 31 2.034 19.651 -9.490 1.00 33.12 C ATOM 441 C GLY A 31 2.482 18.492 -8.622 1.00 30.40 C ATOM 442 O GLY A 31 1.839 18.172 -7.623 1.00 4.12 O ATOM 0 H GLY A 31 0.666 20.160 -7.987 1.00 45.41 H new ATOM 0 HA2 GLY A 31 1.851 19.293 -10.503 1.00 33.12 H new ATOM 0 HA3 GLY A 31 2.836 20.386 -9.552 1.00 33.12 H new ATOM 446 N GLU A 32 3.587 17.860 -9.006 1.00 32.53 N ATOM 447 CA GLU A 32 4.118 16.728 -8.257 1.00 43.34 C ATOM 448 C GLU A 32 4.870 17.201 -7.017 1.00 0.11 C ATOM 449 O GLU A 32 4.746 16.617 -5.941 1.00 41.14 O ATOM 450 CB GLU A 32 5.046 15.893 -9.141 1.00 21.31 C ATOM 451 CG GLU A 32 6.215 16.679 -9.711 1.00 24.13 C ATOM 452 CD GLU A 32 6.581 16.243 -11.116 1.00 44.15 C ATOM 453 OE1 GLU A 32 6.175 15.133 -11.518 1.00 2.15 O ATOM 454 OE2 GLU A 32 7.275 17.011 -11.814 1.00 43.22 O ATOM 0 H GLU A 32 4.131 18.113 -9.831 1.00 32.53 H new ATOM 0 HA GLU A 32 3.278 16.110 -7.939 1.00 43.34 H new ATOM 0 HB2 GLU A 32 5.431 15.056 -8.559 1.00 21.31 H new ATOM 0 HB3 GLU A 32 4.468 15.471 -9.963 1.00 21.31 H new ATOM 0 HG2 GLU A 32 5.966 17.740 -9.717 1.00 24.13 H new ATOM 0 HG3 GLU A 32 7.081 16.559 -9.060 1.00 24.13 H new ATOM 461 N GLY A 33 5.652 18.265 -7.176 1.00 43.52 N ATOM 462 CA GLY A 33 6.414 18.799 -6.062 1.00 13.11 C ATOM 463 C GLY A 33 5.526 19.282 -4.931 1.00 73.12 C ATOM 464 O GLY A 33 5.726 18.912 -3.776 1.00 42.22 O ATOM 0 H GLY A 33 5.771 18.766 -8.056 1.00 43.52 H new ATOM 0 HA2 GLY A 33 7.090 18.031 -5.687 1.00 13.11 H new ATOM 0 HA3 GLY A 33 7.033 19.625 -6.412 1.00 13.11 H new ATOM 468 N ASN A 34 4.544 20.112 -5.266 1.00 53.43 N ATOM 469 CA ASN A 34 3.623 20.649 -4.269 1.00 44.03 C ATOM 470 C ASN A 34 2.881 19.525 -3.554 1.00 21.44 C ATOM 471 O ASN A 34 2.645 19.590 -2.348 1.00 21.10 O ATOM 472 CB ASN A 34 2.623 21.600 -4.928 1.00 73.11 C ATOM 473 CG ASN A 34 2.281 22.783 -4.043 1.00 70.53 C ATOM 474 OD1 ASN A 34 2.311 22.685 -2.817 1.00 5.31 O ATOM 475 ND2 ASN A 34 1.953 23.910 -4.664 1.00 31.11 N ATOM 0 H ASN A 34 4.365 20.428 -6.219 1.00 53.43 H new ATOM 0 HA ASN A 34 4.205 21.201 -3.532 1.00 44.03 H new ATOM 0 HB2 ASN A 34 3.036 21.962 -5.870 1.00 73.11 H new ATOM 0 HB3 ASN A 34 1.711 21.054 -5.169 1.00 73.11 H new ATOM 0 HD21 ASN A 34 1.713 24.740 -4.122 1.00 31.11 H new ATOM 0 HD22 ASN A 34 1.941 23.946 -5.683 1.00 31.11 H new ATOM 482 N PHE A 35 2.513 18.493 -4.308 1.00 61.12 N ATOM 483 CA PHE A 35 1.795 17.354 -3.748 1.00 43.53 C ATOM 484 C PHE A 35 2.611 16.686 -2.644 1.00 61.55 C ATOM 485 O PHE A 35 2.092 16.381 -1.571 1.00 74.12 O ATOM 486 CB PHE A 35 1.473 16.338 -4.845 1.00 12.41 C ATOM 487 CG PHE A 35 0.981 15.021 -4.317 1.00 14.12 C ATOM 488 CD1 PHE A 35 1.444 13.829 -4.848 1.00 32.34 C ATOM 489 CD2 PHE A 35 0.053 14.975 -3.288 1.00 54.23 C ATOM 490 CE1 PHE A 35 0.992 12.615 -4.364 1.00 41.45 C ATOM 491 CE2 PHE A 35 -0.401 13.765 -2.799 1.00 32.22 C ATOM 492 CZ PHE A 35 0.069 12.584 -3.338 1.00 32.51 C ATOM 0 H PHE A 35 2.700 18.423 -5.308 1.00 61.12 H new ATOM 0 HA PHE A 35 0.863 17.720 -3.316 1.00 43.53 H new ATOM 0 HB2 PHE A 35 0.718 16.759 -5.509 1.00 12.41 H new ATOM 0 HB3 PHE A 35 2.367 16.169 -5.446 1.00 12.41 H new ATOM 0 HD1 PHE A 35 2.167 13.848 -5.650 1.00 32.34 H new ATOM 0 HD2 PHE A 35 -0.319 15.896 -2.864 1.00 54.23 H new ATOM 0 HE1 PHE A 35 1.361 11.693 -4.788 1.00 41.45 H new ATOM 0 HE2 PHE A 35 -1.123 13.743 -1.996 1.00 32.22 H new ATOM 0 HZ PHE A 35 -0.285 11.637 -2.957 1.00 32.51 H new ATOM 502 N ARG A 36 3.893 16.461 -2.919 1.00 53.30 N ATOM 503 CA ARG A 36 4.781 15.829 -1.950 1.00 70.45 C ATOM 504 C ARG A 36 4.890 16.669 -0.682 1.00 23.10 C ATOM 505 O ARG A 36 4.675 16.173 0.423 1.00 3.25 O ATOM 506 CB ARG A 36 6.169 15.622 -2.560 1.00 3.10 C ATOM 507 CG ARG A 36 6.138 15.029 -3.959 1.00 52.10 C ATOM 508 CD ARG A 36 6.997 13.778 -4.053 1.00 1.15 C ATOM 509 NE ARG A 36 8.389 14.091 -4.362 1.00 45.34 N ATOM 510 CZ ARG A 36 8.826 14.366 -5.587 1.00 13.33 C ATOM 511 NH1 ARG A 36 7.983 14.367 -6.609 1.00 75.43 N ATOM 512 NH2 ARG A 36 10.108 14.643 -5.788 1.00 33.33 N ATOM 0 H ARG A 36 4.339 16.707 -3.803 1.00 53.30 H new ATOM 0 HA ARG A 36 4.359 14.859 -1.686 1.00 70.45 H new ATOM 0 HB2 ARG A 36 6.689 16.580 -2.592 1.00 3.10 H new ATOM 0 HB3 ARG A 36 6.748 14.967 -1.910 1.00 3.10 H new ATOM 0 HG2 ARG A 36 5.110 14.787 -4.230 1.00 52.10 H new ATOM 0 HG3 ARG A 36 6.491 15.769 -4.677 1.00 52.10 H new ATOM 0 HD2 ARG A 36 6.949 13.234 -3.110 1.00 1.15 H new ATOM 0 HD3 ARG A 36 6.594 13.119 -4.822 1.00 1.15 H new ATOM 0 HE ARG A 36 9.063 14.099 -3.596 1.00 45.34 H new ATOM 0 HH11 ARG A 36 6.997 14.157 -6.457 1.00 75.43 H new ATOM 0 HH12 ARG A 36 8.320 14.578 -7.548 1.00 75.43 H new ATOM 0 HH21 ARG A 36 10.759 14.645 -5.002 1.00 33.33 H new ATOM 0 HH22 ARG A 36 10.443 14.854 -6.728 1.00 33.33 H new ATOM 526 N TRP A 37 5.226 17.943 -0.850 1.00 52.11 N ATOM 527 CA TRP A 37 5.365 18.852 0.282 1.00 2.31 C ATOM 528 C TRP A 37 4.106 18.846 1.142 1.00 41.22 C ATOM 529 O TRP A 37 4.173 19.028 2.357 1.00 0.42 O ATOM 530 CB TRP A 37 5.654 20.272 -0.210 1.00 3.21 C ATOM 531 CG TRP A 37 5.527 21.310 0.863 1.00 13.25 C ATOM 532 CD1 TRP A 37 6.540 21.865 1.592 1.00 33.51 C ATOM 533 CD2 TRP A 37 4.316 21.915 1.330 1.00 11.02 C ATOM 534 NE1 TRP A 37 6.032 22.779 2.483 1.00 64.30 N ATOM 535 CE2 TRP A 37 4.670 22.828 2.342 1.00 54.54 C ATOM 536 CE3 TRP A 37 2.967 21.775 0.991 1.00 52.12 C ATOM 537 CZ2 TRP A 37 3.724 23.597 3.016 1.00 24.43 C ATOM 538 CZ3 TRP A 37 2.030 22.538 1.662 1.00 73.53 C ATOM 539 CH2 TRP A 37 2.411 23.440 2.664 1.00 23.12 C ATOM 0 H TRP A 37 5.407 18.370 -1.759 1.00 52.11 H new ATOM 0 HA TRP A 37 6.201 18.509 0.891 1.00 2.31 H new ATOM 0 HB2 TRP A 37 6.662 20.308 -0.622 1.00 3.21 H new ATOM 0 HB3 TRP A 37 4.969 20.514 -1.022 1.00 3.21 H new ATOM 0 HD1 TRP A 37 7.587 21.621 1.484 1.00 33.51 H new ATOM 0 HE1 TRP A 37 6.580 23.332 3.143 1.00 64.30 H new ATOM 0 HE3 TRP A 37 2.663 21.084 0.219 1.00 52.12 H new ATOM 0 HZ2 TRP A 37 4.016 24.292 3.789 1.00 24.43 H new ATOM 0 HZ3 TRP A 37 0.985 22.437 1.409 1.00 73.53 H new ATOM 0 HH2 TRP A 37 1.654 24.022 3.168 1.00 23.12 H new ATOM 550 N ALA A 38 2.960 18.635 0.505 1.00 34.11 N ATOM 551 CA ALA A 38 1.686 18.603 1.213 1.00 20.05 C ATOM 552 C ALA A 38 1.463 17.251 1.881 1.00 23.43 C ATOM 553 O ALA A 38 1.394 17.156 3.106 1.00 11.35 O ATOM 554 CB ALA A 38 0.543 18.919 0.259 1.00 4.14 C ATOM 0 H ALA A 38 2.887 18.483 -0.501 1.00 34.11 H new ATOM 0 HA ALA A 38 1.713 19.364 1.993 1.00 20.05 H new ATOM 0 HB1 ALA A 38 -0.402 18.891 0.802 1.00 4.14 H new ATOM 0 HB2 ALA A 38 0.688 19.912 -0.167 1.00 4.14 H new ATOM 0 HB3 ALA A 38 0.523 18.180 -0.542 1.00 4.14 H new ATOM 560 N ILE A 39 1.352 16.206 1.067 1.00 33.25 N ATOM 561 CA ILE A 39 1.136 14.859 1.580 1.00 22.42 C ATOM 562 C ILE A 39 2.153 14.513 2.662 1.00 32.21 C ATOM 563 O ILE A 39 1.841 13.799 3.615 1.00 43.14 O ATOM 564 CB ILE A 39 1.223 13.808 0.456 1.00 74.31 C ATOM 565 CG1 ILE A 39 0.806 12.432 0.981 1.00 73.03 C ATOM 566 CG2 ILE A 39 2.632 13.759 -0.114 1.00 64.53 C ATOM 567 CD1 ILE A 39 -0.379 11.841 0.249 1.00 12.31 C ATOM 0 H ILE A 39 1.408 16.267 0.050 1.00 33.25 H new ATOM 0 HA ILE A 39 0.133 14.841 2.007 1.00 22.42 H new ATOM 0 HB ILE A 39 0.538 14.094 -0.343 1.00 74.31 H new ATOM 0 HG12 ILE A 39 1.651 11.749 0.899 1.00 73.03 H new ATOM 0 HG13 ILE A 39 0.564 12.514 2.041 1.00 73.03 H new ATOM 0 HG21 ILE A 39 2.678 13.012 -0.907 1.00 64.53 H new ATOM 0 HG22 ILE A 39 2.894 14.736 -0.520 1.00 64.53 H new ATOM 0 HG23 ILE A 39 3.335 13.494 0.676 1.00 64.53 H new ATOM 0 HD11 ILE A 39 -0.619 10.866 0.673 1.00 12.31 H new ATOM 0 HD12 ILE A 39 -1.238 12.504 0.353 1.00 12.31 H new ATOM 0 HD13 ILE A 39 -0.134 11.727 -0.807 1.00 12.31 H new ATOM 579 N ARG A 40 3.369 15.027 2.509 1.00 2.22 N ATOM 580 CA ARG A 40 4.432 14.775 3.475 1.00 65.31 C ATOM 581 C ARG A 40 4.198 15.561 4.761 1.00 35.52 C ATOM 582 O ARG A 40 4.153 14.991 5.850 1.00 64.43 O ATOM 583 CB ARG A 40 5.792 15.145 2.878 1.00 34.31 C ATOM 584 CG ARG A 40 6.971 14.578 3.650 1.00 30.21 C ATOM 585 CD ARG A 40 7.792 13.627 2.793 1.00 43.41 C ATOM 586 NE ARG A 40 7.272 12.263 2.838 1.00 64.13 N ATOM 587 CZ ARG A 40 7.683 11.293 2.028 1.00 33.11 C ATOM 588 NH1 ARG A 40 8.614 11.536 1.116 1.00 1.23 N ATOM 589 NH2 ARG A 40 7.162 10.077 2.130 1.00 2.43 N ATOM 0 H ARG A 40 3.643 15.620 1.726 1.00 2.22 H new ATOM 0 HA ARG A 40 4.425 13.712 3.714 1.00 65.31 H new ATOM 0 HB2 ARG A 40 5.837 14.788 1.849 1.00 34.31 H new ATOM 0 HB3 ARG A 40 5.880 16.231 2.843 1.00 34.31 H new ATOM 0 HG2 ARG A 40 7.604 15.393 4.000 1.00 30.21 H new ATOM 0 HG3 ARG A 40 6.610 14.053 4.534 1.00 30.21 H new ATOM 0 HD2 ARG A 40 7.796 13.980 1.762 1.00 43.41 H new ATOM 0 HD3 ARG A 40 8.827 13.632 3.135 1.00 43.41 H new ATOM 0 HE ARG A 40 6.554 12.043 3.529 1.00 64.13 H new ATOM 0 HH11 ARG A 40 9.017 12.470 1.035 1.00 1.23 H new ATOM 0 HH12 ARG A 40 8.927 10.789 0.496 1.00 1.23 H new ATOM 0 HH21 ARG A 40 6.446 9.886 2.830 1.00 2.43 H new ATOM 0 HH22 ARG A 40 7.478 9.333 1.508 1.00 2.43 H new ATOM 603 N MET A 41 4.050 16.875 4.625 1.00 35.42 N ATOM 604 CA MET A 41 3.819 17.740 5.776 1.00 11.52 C ATOM 605 C MET A 41 2.585 17.293 6.553 1.00 52.20 C ATOM 606 O MET A 41 2.558 17.354 7.783 1.00 63.11 O ATOM 607 CB MET A 41 3.653 19.192 5.325 1.00 74.22 C ATOM 608 CG MET A 41 3.591 20.183 6.476 1.00 51.13 C ATOM 609 SD MET A 41 4.794 21.516 6.310 1.00 53.24 S ATOM 610 CE MET A 41 5.858 21.189 7.713 1.00 52.42 C ATOM 0 H MET A 41 4.086 17.363 3.730 1.00 35.42 H new ATOM 0 HA MET A 41 4.686 17.668 6.432 1.00 11.52 H new ATOM 0 HB2 MET A 41 4.484 19.458 4.672 1.00 74.22 H new ATOM 0 HB3 MET A 41 2.742 19.278 4.733 1.00 74.22 H new ATOM 0 HG2 MET A 41 2.589 20.608 6.531 1.00 51.13 H new ATOM 0 HG3 MET A 41 3.766 19.656 7.414 1.00 51.13 H new ATOM 0 HE1 MET A 41 6.655 21.932 7.747 1.00 52.42 H new ATOM 0 HE2 MET A 41 5.274 21.241 8.632 1.00 52.42 H new ATOM 0 HE3 MET A 41 6.294 20.195 7.615 1.00 52.42 H new ATOM 620 N ALA A 42 1.565 16.845 5.829 1.00 34.15 N ATOM 621 CA ALA A 42 0.329 16.386 6.451 1.00 11.34 C ATOM 622 C ALA A 42 0.552 15.093 7.227 1.00 1.43 C ATOM 623 O ALA A 42 0.051 14.931 8.339 1.00 4.00 O ATOM 624 CB ALA A 42 -0.752 16.192 5.399 1.00 72.31 C ATOM 0 H ALA A 42 1.570 16.790 4.810 1.00 34.15 H new ATOM 0 HA ALA A 42 0.001 17.150 7.156 1.00 11.34 H new ATOM 0 HB1 ALA A 42 -1.669 15.849 5.878 1.00 72.31 H new ATOM 0 HB2 ALA A 42 -0.940 17.138 4.891 1.00 72.31 H new ATOM 0 HB3 ALA A 42 -0.423 15.449 4.672 1.00 72.31 H new ATOM 630 N ASN A 43 1.307 14.174 6.633 1.00 12.34 N ATOM 631 CA ASN A 43 1.595 12.893 7.269 1.00 74.30 C ATOM 632 C ASN A 43 2.284 13.097 8.614 1.00 51.25 C ATOM 633 O ASN A 43 1.872 12.534 9.627 1.00 4.31 O ATOM 634 CB ASN A 43 2.473 12.034 6.358 1.00 34.31 C ATOM 635 CG ASN A 43 1.707 11.478 5.173 1.00 33.21 C ATOM 636 OD1 ASN A 43 0.476 11.474 5.161 1.00 3.44 O ATOM 637 ND2 ASN A 43 2.434 11.005 4.167 1.00 63.33 N ATOM 0 H ASN A 43 1.730 14.292 5.713 1.00 12.34 H new ATOM 0 HA ASN A 43 0.649 12.379 7.440 1.00 74.30 H new ATOM 0 HB2 ASN A 43 3.311 12.631 5.998 1.00 34.31 H new ATOM 0 HB3 ASN A 43 2.893 11.210 6.935 1.00 34.31 H new ATOM 0 HD21 ASN A 43 1.974 10.619 3.343 1.00 63.33 H new ATOM 0 HD22 ASN A 43 3.452 11.028 4.219 1.00 63.33 H new ATOM 644 N VAL A 44 3.338 13.908 8.616 1.00 61.32 N ATOM 645 CA VAL A 44 4.085 14.188 9.836 1.00 44.41 C ATOM 646 C VAL A 44 3.194 14.835 10.890 1.00 55.12 C ATOM 647 O VAL A 44 3.227 14.459 12.062 1.00 34.33 O ATOM 648 CB VAL A 44 5.287 15.111 9.559 1.00 32.02 C ATOM 649 CG1 VAL A 44 6.096 15.329 10.828 1.00 1.43 C ATOM 650 CG2 VAL A 44 6.159 14.533 8.454 1.00 12.35 C ATOM 0 H VAL A 44 3.693 14.382 7.786 1.00 61.32 H new ATOM 0 HA VAL A 44 4.449 13.231 10.210 1.00 44.41 H new ATOM 0 HB VAL A 44 4.911 16.078 9.225 1.00 32.02 H new ATOM 0 HG11 VAL A 44 6.941 15.983 10.613 1.00 1.43 H new ATOM 0 HG12 VAL A 44 5.464 15.790 11.588 1.00 1.43 H new ATOM 0 HG13 VAL A 44 6.464 14.370 11.194 1.00 1.43 H new ATOM 0 HG21 VAL A 44 7.003 15.198 8.271 1.00 12.35 H new ATOM 0 HG22 VAL A 44 6.528 13.553 8.757 1.00 12.35 H new ATOM 0 HG23 VAL A 44 5.571 14.434 7.541 1.00 12.35 H new ATOM 660 N SER A 45 2.396 15.810 10.465 1.00 44.34 N ATOM 661 CA SER A 45 1.497 16.513 11.373 1.00 25.34 C ATOM 662 C SER A 45 0.518 15.542 12.026 1.00 33.14 C ATOM 663 O SER A 45 -0.031 15.819 13.093 1.00 15.12 O ATOM 664 CB SER A 45 0.730 17.602 10.622 1.00 21.45 C ATOM 665 OG SER A 45 0.470 18.714 11.461 1.00 72.41 O ATOM 0 H SER A 45 2.354 16.131 9.498 1.00 44.34 H new ATOM 0 HA SER A 45 2.098 16.977 12.155 1.00 25.34 H new ATOM 0 HB2 SER A 45 1.306 17.924 9.754 1.00 21.45 H new ATOM 0 HB3 SER A 45 -0.210 17.197 10.248 1.00 21.45 H new ATOM 0 HG SER A 45 -0.020 19.397 10.957 1.00 72.41 H new ATOM 671 N THR A 46 0.303 14.402 11.378 1.00 22.22 N ATOM 672 CA THR A 46 -0.610 13.390 11.893 1.00 45.01 C ATOM 673 C THR A 46 0.148 12.278 12.609 1.00 3.22 C ATOM 674 O THR A 46 -0.424 11.537 13.407 1.00 31.11 O ATOM 675 CB THR A 46 -1.460 12.773 10.766 1.00 73.02 C ATOM 676 OG1 THR A 46 -0.714 12.758 9.543 1.00 15.14 O ATOM 677 CG2 THR A 46 -2.750 13.556 10.570 1.00 4.31 C ATOM 0 H THR A 46 0.749 14.156 10.494 1.00 22.22 H new ATOM 0 HA THR A 46 -1.269 13.892 12.602 1.00 45.01 H new ATOM 0 HB THR A 46 -1.714 11.752 11.049 1.00 73.02 H new ATOM 0 HG1 THR A 46 -0.839 13.609 9.073 1.00 15.14 H new ATOM 0 HG21 THR A 46 -3.333 13.102 9.769 1.00 4.31 H new ATOM 0 HG22 THR A 46 -3.328 13.541 11.494 1.00 4.31 H new ATOM 0 HG23 THR A 46 -2.513 14.587 10.306 1.00 4.31 H new ATOM 685 N GLY A 47 1.441 12.167 12.318 1.00 70.04 N ATOM 686 CA GLY A 47 2.258 11.143 12.943 1.00 13.24 C ATOM 687 C GLY A 47 1.999 9.765 12.368 1.00 42.31 C ATOM 688 O GLY A 47 2.092 8.762 13.075 1.00 3.43 O ATOM 0 H GLY A 47 1.937 12.768 11.660 1.00 70.04 H new ATOM 0 HA2 GLY A 47 3.311 11.395 12.816 1.00 13.24 H new ATOM 0 HA3 GLY A 47 2.061 11.129 14.015 1.00 13.24 H new ATOM 692 N ARG A 48 1.672 9.714 11.081 1.00 70.33 N ATOM 693 CA ARG A 48 1.397 8.449 10.411 1.00 50.42 C ATOM 694 C ARG A 48 2.643 7.926 9.702 1.00 3.32 C ATOM 695 O ARG A 48 2.576 7.483 8.557 1.00 62.24 O ATOM 696 CB ARG A 48 0.257 8.618 9.405 1.00 23.13 C ATOM 697 CG ARG A 48 -0.580 7.363 9.216 1.00 3.53 C ATOM 698 CD ARG A 48 -1.931 7.682 8.596 1.00 23.22 C ATOM 699 NE ARG A 48 -3.036 7.142 9.383 1.00 0.23 N ATOM 700 CZ ARG A 48 -3.325 5.847 9.454 1.00 51.42 C ATOM 701 NH1 ARG A 48 -2.594 4.965 8.788 1.00 1.11 N ATOM 702 NH2 ARG A 48 -4.347 5.434 10.192 1.00 23.52 N ATOM 0 H ARG A 48 1.591 10.535 10.481 1.00 70.33 H new ATOM 0 HA ARG A 48 1.100 7.723 11.168 1.00 50.42 H new ATOM 0 HB2 ARG A 48 -0.391 9.430 9.736 1.00 23.13 H new ATOM 0 HB3 ARG A 48 0.674 8.915 8.443 1.00 23.13 H new ATOM 0 HG2 ARG A 48 -0.044 6.659 8.580 1.00 3.53 H new ATOM 0 HG3 ARG A 48 -0.727 6.874 10.179 1.00 3.53 H new ATOM 0 HD2 ARG A 48 -2.043 8.763 8.508 1.00 23.22 H new ATOM 0 HD3 ARG A 48 -1.972 7.274 7.586 1.00 23.22 H new ATOM 0 HE ARG A 48 -3.618 7.795 9.907 1.00 0.23 H new ATOM 0 HH11 ARG A 48 -1.808 5.280 8.220 1.00 1.11 H new ATOM 0 HH12 ARG A 48 -2.818 3.971 8.844 1.00 1.11 H new ATOM 0 HH21 ARG A 48 -4.912 6.111 10.705 1.00 23.52 H new ATOM 0 HH22 ARG A 48 -4.568 4.440 10.246 1.00 23.52 H new ATOM 716 N GLU A 49 3.778 7.983 10.392 1.00 14.11 N ATOM 717 CA GLU A 49 5.038 7.517 9.827 1.00 62.01 C ATOM 718 C GLU A 49 5.425 8.342 8.603 1.00 14.24 C ATOM 719 O GLU A 49 4.592 9.002 7.980 1.00 45.42 O ATOM 720 CB GLU A 49 4.937 6.038 9.447 1.00 43.00 C ATOM 721 CG GLU A 49 5.630 5.108 10.428 1.00 15.44 C ATOM 722 CD GLU A 49 4.660 4.449 11.391 1.00 72.35 C ATOM 723 OE1 GLU A 49 4.198 3.328 11.092 1.00 30.32 O ATOM 724 OE2 GLU A 49 4.363 5.054 12.442 1.00 33.20 O ATOM 0 H GLU A 49 3.850 8.347 11.342 1.00 14.11 H new ATOM 0 HA GLU A 49 5.812 7.638 10.585 1.00 62.01 H new ATOM 0 HB2 GLU A 49 3.885 5.761 9.378 1.00 43.00 H new ATOM 0 HB3 GLU A 49 5.370 5.896 8.457 1.00 43.00 H new ATOM 0 HG2 GLU A 49 6.167 4.338 9.875 1.00 15.44 H new ATOM 0 HG3 GLU A 49 6.372 5.671 10.994 1.00 15.44 H new ATOM 731 N PRO A 50 6.719 8.306 8.249 1.00 14.43 N ATOM 732 CA PRO A 50 7.245 9.045 7.098 1.00 51.24 C ATOM 733 C PRO A 50 6.765 8.469 5.770 1.00 41.41 C ATOM 734 O PRO A 50 6.295 9.200 4.900 1.00 33.40 O ATOM 735 CB PRO A 50 8.761 8.882 7.236 1.00 60.25 C ATOM 736 CG PRO A 50 8.937 7.620 8.007 1.00 24.22 C ATOM 737 CD PRO A 50 7.766 7.541 8.946 1.00 15.43 C ATOM 0 HA PRO A 50 6.913 10.083 7.093 1.00 51.24 H new ATOM 0 HB2 PRO A 50 9.243 8.820 6.260 1.00 60.25 H new ATOM 0 HB3 PRO A 50 9.205 9.730 7.758 1.00 60.25 H new ATOM 0 HG2 PRO A 50 8.963 6.757 7.342 1.00 24.22 H new ATOM 0 HG3 PRO A 50 9.878 7.627 8.557 1.00 24.22 H new ATOM 0 HD2 PRO A 50 7.461 6.510 9.122 1.00 15.43 H new ATOM 0 HD3 PRO A 50 8.000 7.974 9.918 1.00 15.43 H new ATOM 745 N GLY A 51 6.887 7.153 5.623 1.00 33.02 N ATOM 746 CA GLY A 51 6.461 6.501 4.398 1.00 14.12 C ATOM 747 C GLY A 51 4.966 6.255 4.363 1.00 4.02 C ATOM 748 O GLY A 51 4.509 5.137 4.606 1.00 31.42 O ATOM 0 H GLY A 51 7.273 6.527 6.330 1.00 33.02 H new ATOM 0 HA2 GLY A 51 6.745 7.117 3.544 1.00 14.12 H new ATOM 0 HA3 GLY A 51 6.985 5.551 4.294 1.00 14.12 H new ATOM 752 N ASP A 52 4.203 7.298 4.063 1.00 35.24 N ATOM 753 CA ASP A 52 2.749 7.189 3.997 1.00 55.54 C ATOM 754 C ASP A 52 2.239 7.549 2.606 1.00 74.13 C ATOM 755 O ASP A 52 1.975 8.716 2.313 1.00 41.42 O ATOM 756 CB ASP A 52 2.101 8.099 5.043 1.00 70.43 C ATOM 757 CG ASP A 52 1.288 7.324 6.061 1.00 23.44 C ATOM 758 OD1 ASP A 52 1.723 6.220 6.452 1.00 44.43 O ATOM 759 OD2 ASP A 52 0.216 7.820 6.467 1.00 42.24 O ATOM 0 H ASP A 52 4.566 8.230 3.861 1.00 35.24 H new ATOM 0 HA ASP A 52 2.477 6.155 4.207 1.00 55.54 H new ATOM 0 HB2 ASP A 52 2.877 8.666 5.558 1.00 70.43 H new ATOM 0 HB3 ASP A 52 1.457 8.822 4.542 1.00 70.43 H new ATOM 764 N ILE A 53 2.103 6.541 1.752 1.00 70.41 N ATOM 765 CA ILE A 53 1.625 6.752 0.391 1.00 22.15 C ATOM 766 C ILE A 53 0.322 5.998 0.144 1.00 53.21 C ATOM 767 O ILE A 53 0.289 4.971 -0.534 1.00 73.42 O ATOM 768 CB ILE A 53 2.669 6.302 -0.648 1.00 51.13 C ATOM 769 CG1 ILE A 53 4.000 7.017 -0.407 1.00 71.44 C ATOM 770 CG2 ILE A 53 2.164 6.573 -2.057 1.00 64.12 C ATOM 771 CD1 ILE A 53 3.899 8.525 -0.482 1.00 13.20 C ATOM 0 H ILE A 53 2.317 5.570 1.978 1.00 70.41 H new ATOM 0 HA ILE A 53 1.451 7.822 0.279 1.00 22.15 H new ATOM 0 HB ILE A 53 2.829 5.229 -0.540 1.00 51.13 H new ATOM 0 HG12 ILE A 53 4.382 6.735 0.574 1.00 71.44 H new ATOM 0 HG13 ILE A 53 4.727 6.673 -1.143 1.00 71.44 H new ATOM 0 HG21 ILE A 53 2.913 6.250 -2.780 1.00 64.12 H new ATOM 0 HG22 ILE A 53 1.238 6.023 -2.223 1.00 64.12 H new ATOM 0 HG23 ILE A 53 1.979 7.640 -2.178 1.00 64.12 H new ATOM 0 HD11 ILE A 53 4.880 8.965 -0.301 1.00 13.20 H new ATOM 0 HD12 ILE A 53 3.547 8.817 -1.471 1.00 13.20 H new ATOM 0 HD13 ILE A 53 3.197 8.881 0.272 1.00 13.20 H new ATOM 783 N PRO A 54 -0.778 6.520 0.705 1.00 73.12 N ATOM 784 CA PRO A 54 -2.105 5.916 0.557 1.00 23.23 C ATOM 785 C PRO A 54 -2.648 6.047 -0.862 1.00 64.30 C ATOM 786 O PRO A 54 -2.087 6.769 -1.686 1.00 12.12 O ATOM 787 CB PRO A 54 -2.971 6.714 1.536 1.00 63.33 C ATOM 788 CG PRO A 54 -2.282 8.029 1.663 1.00 31.11 C ATOM 789 CD PRO A 54 -0.812 7.742 1.526 1.00 74.22 C ATOM 0 HA PRO A 54 -2.088 4.845 0.757 1.00 23.23 H new ATOM 0 HB2 PRO A 54 -3.987 6.834 1.160 1.00 63.33 H new ATOM 0 HB3 PRO A 54 -3.045 6.211 2.500 1.00 63.33 H new ATOM 0 HG2 PRO A 54 -2.618 8.722 0.891 1.00 31.11 H new ATOM 0 HG3 PRO A 54 -2.501 8.493 2.625 1.00 31.11 H new ATOM 0 HD2 PRO A 54 -0.285 8.565 1.043 1.00 74.22 H new ATOM 0 HD3 PRO A 54 -0.341 7.587 2.497 1.00 74.22 H new ATOM 797 N GLU A 55 -3.740 5.343 -1.141 1.00 5.14 N ATOM 798 CA GLU A 55 -4.357 5.381 -2.461 1.00 64.31 C ATOM 799 C GLU A 55 -5.817 4.941 -2.394 1.00 42.04 C ATOM 800 O GLU A 55 -6.282 4.163 -3.227 1.00 23.20 O ATOM 801 CB GLU A 55 -3.588 4.486 -3.434 1.00 65.11 C ATOM 802 CG GLU A 55 -3.589 3.018 -3.041 1.00 64.00 C ATOM 803 CD GLU A 55 -2.287 2.320 -3.385 1.00 63.52 C ATOM 804 OE1 GLU A 55 -2.001 2.161 -4.591 1.00 72.23 O ATOM 805 OE2 GLU A 55 -1.555 1.933 -2.452 1.00 45.40 O ATOM 0 H GLU A 55 -4.216 4.739 -0.470 1.00 5.14 H new ATOM 0 HA GLU A 55 -4.322 6.410 -2.819 1.00 64.31 H new ATOM 0 HB2 GLU A 55 -4.022 4.588 -4.429 1.00 65.11 H new ATOM 0 HB3 GLU A 55 -2.558 4.835 -3.499 1.00 65.11 H new ATOM 0 HG2 GLU A 55 -3.770 2.933 -1.970 1.00 64.00 H new ATOM 0 HG3 GLU A 55 -4.412 2.512 -3.545 1.00 64.00 H new ATOM 812 N THR A 56 -6.535 5.444 -1.394 1.00 24.43 N ATOM 813 CA THR A 56 -7.940 5.102 -1.215 1.00 74.32 C ATOM 814 C THR A 56 -8.729 6.287 -0.671 1.00 62.04 C ATOM 815 O THR A 56 -8.194 7.116 0.067 1.00 35.31 O ATOM 816 CB THR A 56 -8.110 3.905 -0.261 1.00 31.43 C ATOM 817 OG1 THR A 56 -7.855 4.313 1.087 1.00 11.41 O ATOM 818 CG2 THR A 56 -7.167 2.772 -0.640 1.00 14.41 C ATOM 0 H THR A 56 -6.166 6.090 -0.696 1.00 24.43 H new ATOM 0 HA THR A 56 -8.327 4.831 -2.197 1.00 74.32 H new ATOM 0 HB THR A 56 -9.136 3.546 -0.344 1.00 31.43 H new ATOM 0 HG1 THR A 56 -7.648 3.526 1.633 1.00 11.41 H new ATOM 0 HG21 THR A 56 -7.305 1.938 0.048 1.00 14.41 H new ATOM 0 HG22 THR A 56 -7.383 2.444 -1.657 1.00 14.41 H new ATOM 0 HG23 THR A 56 -6.136 3.122 -0.583 1.00 14.41 H new ATOM 826 N LEU A 57 -10.004 6.362 -1.039 1.00 1.50 N ATOM 827 CA LEU A 57 -10.867 7.447 -0.585 1.00 32.34 C ATOM 828 C LEU A 57 -10.946 7.482 0.937 1.00 41.45 C ATOM 829 O LEU A 57 -11.082 8.548 1.538 1.00 13.12 O ATOM 830 CB LEU A 57 -12.270 7.288 -1.175 1.00 54.02 C ATOM 831 CG LEU A 57 -12.946 8.574 -1.654 1.00 24.11 C ATOM 832 CD1 LEU A 57 -12.107 9.251 -2.727 1.00 50.11 C ATOM 833 CD2 LEU A 57 -14.344 8.278 -2.176 1.00 33.11 C ATOM 0 H LEU A 57 -10.462 5.685 -1.650 1.00 1.50 H new ATOM 0 HA LEU A 57 -10.437 8.388 -0.929 1.00 32.34 H new ATOM 0 HB2 LEU A 57 -12.213 6.596 -2.016 1.00 54.02 H new ATOM 0 HB3 LEU A 57 -12.908 6.824 -0.423 1.00 54.02 H new ATOM 0 HG LEU A 57 -13.032 9.254 -0.807 1.00 24.11 H new ATOM 0 HD11 LEU A 57 -12.604 10.164 -3.055 1.00 50.11 H new ATOM 0 HD12 LEU A 57 -11.126 9.498 -2.320 1.00 50.11 H new ATOM 0 HD13 LEU A 57 -11.989 8.577 -3.575 1.00 50.11 H new ATOM 0 HD21 LEU A 57 -14.810 9.204 -2.513 1.00 33.11 H new ATOM 0 HD22 LEU A 57 -14.281 7.580 -3.010 1.00 33.11 H new ATOM 0 HD23 LEU A 57 -14.944 7.838 -1.380 1.00 33.11 H new ATOM 845 N ASP A 58 -10.855 6.310 1.556 1.00 43.31 N ATOM 846 CA ASP A 58 -10.911 6.206 3.010 1.00 34.20 C ATOM 847 C ASP A 58 -9.643 6.768 3.644 1.00 72.00 C ATOM 848 O ASP A 58 -9.704 7.504 4.628 1.00 1.55 O ATOM 849 CB ASP A 58 -11.105 4.749 3.431 1.00 23.42 C ATOM 850 CG ASP A 58 -11.746 4.622 4.799 1.00 12.52 C ATOM 851 OD1 ASP A 58 -12.456 3.622 5.032 1.00 4.24 O ATOM 852 OD2 ASP A 58 -11.536 5.523 5.638 1.00 55.53 O ATOM 0 H ASP A 58 -10.742 5.418 1.074 1.00 43.31 H new ATOM 0 HA ASP A 58 -11.761 6.793 3.359 1.00 34.20 H new ATOM 0 HB2 ASP A 58 -11.726 4.240 2.693 1.00 23.42 H new ATOM 0 HB3 ASP A 58 -10.139 4.244 3.437 1.00 23.42 H new ATOM 857 N GLN A 59 -8.496 6.415 3.074 1.00 5.44 N ATOM 858 CA GLN A 59 -7.213 6.882 3.586 1.00 22.24 C ATOM 859 C GLN A 59 -7.131 8.404 3.543 1.00 61.42 C ATOM 860 O GLN A 59 -6.763 9.045 4.527 1.00 55.52 O ATOM 861 CB GLN A 59 -6.065 6.275 2.778 1.00 24.33 C ATOM 862 CG GLN A 59 -5.430 5.062 3.438 1.00 33.34 C ATOM 863 CD GLN A 59 -5.552 3.807 2.595 1.00 11.22 C ATOM 864 OE1 GLN A 59 -6.407 2.958 2.845 1.00 60.14 O ATOM 865 NE2 GLN A 59 -4.694 3.685 1.589 1.00 64.40 N ATOM 0 H GLN A 59 -8.429 5.807 2.258 1.00 5.44 H new ATOM 0 HA GLN A 59 -7.127 6.561 4.624 1.00 22.24 H new ATOM 0 HB2 GLN A 59 -6.436 5.990 1.794 1.00 24.33 H new ATOM 0 HB3 GLN A 59 -5.300 7.035 2.622 1.00 24.33 H new ATOM 0 HG2 GLN A 59 -4.376 5.266 3.628 1.00 33.34 H new ATOM 0 HG3 GLN A 59 -5.901 4.892 4.406 1.00 33.34 H new ATOM 0 HE21 GLN A 59 -4.001 4.414 1.418 1.00 64.40 H new ATOM 0 HE22 GLN A 59 -4.728 2.862 0.987 1.00 64.40 H new ATOM 874 N LEU A 60 -7.477 8.977 2.395 1.00 2.23 N ATOM 875 CA LEU A 60 -7.442 10.425 2.223 1.00 35.50 C ATOM 876 C LEU A 60 -8.431 11.109 3.161 1.00 35.32 C ATOM 877 O LEU A 60 -8.062 12.002 3.925 1.00 22.34 O ATOM 878 CB LEU A 60 -7.761 10.793 0.772 1.00 51.41 C ATOM 879 CG LEU A 60 -6.578 10.791 -0.196 1.00 4.40 C ATOM 880 CD1 LEU A 60 -5.639 11.949 0.106 1.00 72.42 C ATOM 881 CD2 LEU A 60 -5.832 9.467 -0.124 1.00 64.43 C ATOM 0 H LEU A 60 -7.785 8.461 1.570 1.00 2.23 H new ATOM 0 HA LEU A 60 -6.438 10.771 2.468 1.00 35.50 H new ATOM 0 HB2 LEU A 60 -8.512 10.097 0.398 1.00 51.41 H new ATOM 0 HB3 LEU A 60 -8.212 11.785 0.761 1.00 51.41 H new ATOM 0 HG LEU A 60 -6.962 10.915 -1.208 1.00 4.40 H new ATOM 0 HD11 LEU A 60 -4.803 11.931 -0.593 1.00 72.42 H new ATOM 0 HD12 LEU A 60 -6.178 12.891 0.003 1.00 72.42 H new ATOM 0 HD13 LEU A 60 -5.262 11.856 1.125 1.00 72.42 H new ATOM 0 HD21 LEU A 60 -4.993 9.484 -0.820 1.00 64.43 H new ATOM 0 HD22 LEU A 60 -5.460 9.314 0.889 1.00 64.43 H new ATOM 0 HD23 LEU A 60 -6.508 8.654 -0.390 1.00 64.43 H new ATOM 893 N ARG A 61 -9.689 10.683 3.100 1.00 53.20 N ATOM 894 CA ARG A 61 -10.731 11.254 3.945 1.00 44.42 C ATOM 895 C ARG A 61 -10.307 11.245 5.411 1.00 2.12 C ATOM 896 O ARG A 61 -10.705 12.113 6.189 1.00 32.54 O ATOM 897 CB ARG A 61 -12.038 10.476 3.776 1.00 42.05 C ATOM 898 CG ARG A 61 -13.111 10.863 4.780 1.00 4.23 C ATOM 899 CD ARG A 61 -13.202 9.853 5.914 1.00 12.43 C ATOM 900 NE ARG A 61 -13.684 10.462 7.151 1.00 32.15 N ATOM 901 CZ ARG A 61 -13.671 9.846 8.328 1.00 62.35 C ATOM 902 NH1 ARG A 61 -13.200 8.611 8.427 1.00 3.25 N ATOM 903 NH2 ARG A 61 -14.126 10.466 9.408 1.00 51.11 N ATOM 0 H ARG A 61 -10.011 9.945 2.474 1.00 53.20 H new ATOM 0 HA ARG A 61 -10.889 12.287 3.636 1.00 44.42 H new ATOM 0 HB2 ARG A 61 -12.420 10.638 2.768 1.00 42.05 H new ATOM 0 HB3 ARG A 61 -11.831 9.410 3.871 1.00 42.05 H new ATOM 0 HG2 ARG A 61 -12.891 11.850 5.187 1.00 4.23 H new ATOM 0 HG3 ARG A 61 -14.075 10.933 4.276 1.00 4.23 H new ATOM 0 HD2 ARG A 61 -13.870 9.042 5.625 1.00 12.43 H new ATOM 0 HD3 ARG A 61 -12.220 9.411 6.086 1.00 12.43 H new ATOM 0 HE ARG A 61 -14.051 11.413 7.109 1.00 32.15 H new ATOM 0 HH11 ARG A 61 -12.847 8.132 7.599 1.00 3.25 H new ATOM 0 HH12 ARG A 61 -13.191 8.140 9.332 1.00 3.25 H new ATOM 0 HH21 ARG A 61 -14.487 11.417 9.336 1.00 51.11 H new ATOM 0 HH22 ARG A 61 -14.115 9.992 10.311 1.00 51.11 H new ATOM 917 N LEU A 62 -9.497 10.259 5.781 1.00 22.33 N ATOM 918 CA LEU A 62 -9.020 10.136 7.154 1.00 10.31 C ATOM 919 C LEU A 62 -7.994 11.220 7.473 1.00 71.22 C ATOM 920 O LEU A 62 -8.197 12.037 8.370 1.00 0.15 O ATOM 921 CB LEU A 62 -8.405 8.754 7.379 1.00 44.51 C ATOM 922 CG LEU A 62 -8.029 8.413 8.822 1.00 73.21 C ATOM 923 CD1 LEU A 62 -9.221 8.616 9.745 1.00 74.04 C ATOM 924 CD2 LEU A 62 -7.517 6.983 8.916 1.00 10.44 C ATOM 0 H LEU A 62 -9.157 9.534 5.150 1.00 22.33 H new ATOM 0 HA LEU A 62 -9.873 10.260 7.822 1.00 10.31 H new ATOM 0 HB2 LEU A 62 -9.109 8.003 7.021 1.00 44.51 H new ATOM 0 HB3 LEU A 62 -7.510 8.672 6.762 1.00 44.51 H new ATOM 0 HG LEU A 62 -7.231 9.085 9.138 1.00 73.21 H new ATOM 0 HD11 LEU A 62 -8.936 8.369 10.768 1.00 74.04 H new ATOM 0 HD12 LEU A 62 -9.543 9.656 9.700 1.00 74.04 H new ATOM 0 HD13 LEU A 62 -10.039 7.969 9.430 1.00 74.04 H new ATOM 0 HD21 LEU A 62 -7.254 6.758 9.950 1.00 10.44 H new ATOM 0 HD22 LEU A 62 -8.294 6.296 8.581 1.00 10.44 H new ATOM 0 HD23 LEU A 62 -6.636 6.870 8.285 1.00 10.44 H new ATOM 936 N VAL A 63 -6.892 11.222 6.729 1.00 21.15 N ATOM 937 CA VAL A 63 -5.836 12.207 6.930 1.00 74.53 C ATOM 938 C VAL A 63 -6.378 13.627 6.802 1.00 62.30 C ATOM 939 O VAL A 63 -5.912 14.542 7.480 1.00 41.02 O ATOM 940 CB VAL A 63 -4.690 12.013 5.920 1.00 52.41 C ATOM 941 CG1 VAL A 63 -5.221 12.050 4.496 1.00 63.54 C ATOM 942 CG2 VAL A 63 -3.615 13.072 6.125 1.00 35.55 C ATOM 0 H VAL A 63 -6.708 10.553 5.982 1.00 21.15 H new ATOM 0 HA VAL A 63 -5.451 12.058 7.939 1.00 74.53 H new ATOM 0 HB VAL A 63 -4.241 11.034 6.089 1.00 52.41 H new ATOM 0 HG11 VAL A 63 -4.397 11.911 3.797 1.00 63.54 H new ATOM 0 HG12 VAL A 63 -5.951 11.252 4.359 1.00 63.54 H new ATOM 0 HG13 VAL A 63 -5.696 13.013 4.310 1.00 63.54 H new ATOM 0 HG21 VAL A 63 -2.813 12.920 5.403 1.00 35.55 H new ATOM 0 HG22 VAL A 63 -4.048 14.062 5.983 1.00 35.55 H new ATOM 0 HG23 VAL A 63 -3.214 12.992 7.135 1.00 35.55 H new ATOM 952 N ILE A 64 -7.364 13.801 5.929 1.00 3.20 N ATOM 953 CA ILE A 64 -7.970 15.109 5.713 1.00 21.10 C ATOM 954 C ILE A 64 -8.837 15.515 6.900 1.00 53.25 C ATOM 955 O ILE A 64 -8.892 16.690 7.269 1.00 3.02 O ATOM 956 CB ILE A 64 -8.829 15.129 4.434 1.00 44.44 C ATOM 957 CG1 ILE A 64 -7.967 14.804 3.212 1.00 31.32 C ATOM 958 CG2 ILE A 64 -9.503 16.482 4.269 1.00 0.51 C ATOM 959 CD1 ILE A 64 -8.739 14.155 2.085 1.00 35.54 C ATOM 0 H ILE A 64 -7.760 13.053 5.360 1.00 3.20 H new ATOM 0 HA ILE A 64 -7.152 15.821 5.602 1.00 21.10 H new ATOM 0 HB ILE A 64 -9.605 14.368 4.522 1.00 44.44 H new ATOM 0 HG12 ILE A 64 -7.508 15.723 2.846 1.00 31.32 H new ATOM 0 HG13 ILE A 64 -7.156 14.142 3.515 1.00 31.32 H new ATOM 0 HG21 ILE A 64 -10.106 16.480 3.361 1.00 0.51 H new ATOM 0 HG22 ILE A 64 -10.143 16.677 5.129 1.00 0.51 H new ATOM 0 HG23 ILE A 64 -8.743 17.261 4.198 1.00 0.51 H new ATOM 0 HD11 ILE A 64 -8.066 13.953 1.252 1.00 35.54 H new ATOM 0 HD12 ILE A 64 -9.175 13.219 2.434 1.00 35.54 H new ATOM 0 HD13 ILE A 64 -9.533 14.825 1.755 1.00 35.54 H new ATOM 971 N CYS A 65 -9.512 14.537 7.495 1.00 75.12 N ATOM 972 CA CYS A 65 -10.376 14.793 8.642 1.00 61.42 C ATOM 973 C CYS A 65 -9.552 15.148 9.875 1.00 31.22 C ATOM 974 O CYS A 65 -9.781 16.177 10.511 1.00 22.03 O ATOM 975 CB CYS A 65 -11.250 13.572 8.930 1.00 5.12 C ATOM 976 SG CYS A 65 -12.361 13.775 10.342 1.00 62.22 S ATOM 0 H CYS A 65 -9.478 13.561 7.202 1.00 75.12 H new ATOM 0 HA CYS A 65 -11.018 15.641 8.401 1.00 61.42 H new ATOM 0 HB2 CYS A 65 -11.844 13.346 8.044 1.00 5.12 H new ATOM 0 HB3 CYS A 65 -10.605 12.712 9.109 1.00 5.12 H new ATOM 0 HG CYS A 65 -13.059 12.691 10.504 1.00 62.22 H new ATOM 982 N ASP A 66 -8.596 14.289 10.208 1.00 64.14 N ATOM 983 CA ASP A 66 -7.738 14.511 11.366 1.00 43.22 C ATOM 984 C ASP A 66 -6.948 15.808 11.217 1.00 32.43 C ATOM 985 O ASP A 66 -6.962 16.661 12.106 1.00 63.22 O ATOM 986 CB ASP A 66 -6.778 13.334 11.550 1.00 60.32 C ATOM 987 CG ASP A 66 -7.474 11.994 11.415 1.00 20.04 C ATOM 988 OD1 ASP A 66 -6.797 11.006 11.058 1.00 52.43 O ATOM 989 OD2 ASP A 66 -8.695 11.931 11.667 1.00 42.11 O ATOM 0 H ASP A 66 -8.395 13.432 9.693 1.00 64.14 H new ATOM 0 HA ASP A 66 -8.374 14.593 12.247 1.00 43.22 H new ATOM 0 HB2 ASP A 66 -5.979 13.401 10.812 1.00 60.32 H new ATOM 0 HB3 ASP A 66 -6.310 13.400 12.532 1.00 60.32 H new ATOM 994 N LEU A 67 -6.261 15.950 10.089 1.00 15.45 N ATOM 995 CA LEU A 67 -5.465 17.143 9.824 1.00 33.52 C ATOM 996 C LEU A 67 -6.314 18.405 9.951 1.00 23.43 C ATOM 997 O LEU A 67 -5.866 19.412 10.497 1.00 32.54 O ATOM 998 CB LEU A 67 -4.849 17.069 8.426 1.00 25.40 C ATOM 999 CG LEU A 67 -3.983 18.258 8.010 1.00 61.52 C ATOM 1000 CD1 LEU A 67 -2.698 18.293 8.821 1.00 11.34 C ATOM 1001 CD2 LEU A 67 -3.673 18.196 6.520 1.00 0.41 C ATOM 0 H LEU A 67 -6.239 15.254 9.344 1.00 15.45 H new ATOM 0 HA LEU A 67 -4.667 17.188 10.565 1.00 33.52 H new ATOM 0 HB2 LEU A 67 -4.243 16.165 8.365 1.00 25.40 H new ATOM 0 HB3 LEU A 67 -5.656 16.961 7.701 1.00 25.40 H new ATOM 0 HG LEU A 67 -4.539 19.174 8.209 1.00 61.52 H new ATOM 0 HD11 LEU A 67 -2.095 19.146 8.510 1.00 11.34 H new ATOM 0 HD12 LEU A 67 -2.939 18.385 9.880 1.00 11.34 H new ATOM 0 HD13 LEU A 67 -2.138 17.373 8.655 1.00 11.34 H new ATOM 0 HD21 LEU A 67 -3.056 19.050 6.241 1.00 0.41 H new ATOM 0 HD22 LEU A 67 -3.137 17.273 6.298 1.00 0.41 H new ATOM 0 HD23 LEU A 67 -4.604 18.221 5.953 1.00 0.41 H new ATOM 1013 N GLN A 68 -7.541 18.338 9.444 1.00 33.30 N ATOM 1014 CA GLN A 68 -8.453 19.475 9.502 1.00 41.24 C ATOM 1015 C GLN A 68 -8.701 19.900 10.945 1.00 11.42 C ATOM 1016 O GLN A 68 -8.639 21.085 11.273 1.00 61.03 O ATOM 1017 CB GLN A 68 -9.780 19.126 8.825 1.00 13.12 C ATOM 1018 CG GLN A 68 -10.772 20.278 8.803 1.00 3.40 C ATOM 1019 CD GLN A 68 -11.878 20.116 9.828 1.00 44.12 C ATOM 1020 OE1 GLN A 68 -11.708 19.430 10.837 1.00 75.50 O ATOM 1021 NE2 GLN A 68 -13.018 20.747 9.575 1.00 74.54 N ATOM 0 H GLN A 68 -7.926 17.510 8.989 1.00 33.30 H new ATOM 0 HA GLN A 68 -7.991 20.308 8.972 1.00 41.24 H new ATOM 0 HB2 GLN A 68 -9.583 18.807 7.801 1.00 13.12 H new ATOM 0 HB3 GLN A 68 -10.231 18.279 9.342 1.00 13.12 H new ATOM 0 HG2 GLN A 68 -10.242 21.212 8.990 1.00 3.40 H new ATOM 0 HG3 GLN A 68 -11.212 20.355 7.809 1.00 3.40 H new ATOM 0 HE21 GLN A 68 -13.115 21.305 8.726 1.00 74.54 H new ATOM 0 HE22 GLN A 68 -13.797 20.674 10.229 1.00 74.54 H new ATOM 1030 N GLU A 69 -8.982 18.925 11.804 1.00 13.32 N ATOM 1031 CA GLU A 69 -9.241 19.200 13.214 1.00 61.44 C ATOM 1032 C GLU A 69 -8.067 19.939 13.848 1.00 74.53 C ATOM 1033 O GLU A 69 -8.251 20.936 14.546 1.00 32.13 O ATOM 1034 CB GLU A 69 -9.506 17.897 13.970 1.00 20.15 C ATOM 1035 CG GLU A 69 -9.770 18.097 15.453 1.00 44.23 C ATOM 1036 CD GLU A 69 -8.541 17.840 16.303 1.00 14.02 C ATOM 1037 OE1 GLU A 69 -7.934 18.823 16.779 1.00 63.22 O ATOM 1038 OE2 GLU A 69 -8.187 16.658 16.494 1.00 43.14 O ATOM 0 H GLU A 69 -9.036 17.939 11.549 1.00 13.32 H new ATOM 0 HA GLU A 69 -10.125 19.835 13.278 1.00 61.44 H new ATOM 0 HB2 GLU A 69 -10.363 17.394 13.522 1.00 20.15 H new ATOM 0 HB3 GLU A 69 -8.649 17.235 13.848 1.00 20.15 H new ATOM 0 HG2 GLU A 69 -10.118 19.116 15.622 1.00 44.23 H new ATOM 0 HG3 GLU A 69 -10.572 17.430 15.769 1.00 44.23 H new ATOM 1045 N ARG A 70 -6.859 19.443 13.599 1.00 51.43 N ATOM 1046 CA ARG A 70 -5.654 20.055 14.148 1.00 74.30 C ATOM 1047 C ARG A 70 -5.410 21.427 13.525 1.00 33.14 C ATOM 1048 O ARG A 70 -4.892 22.333 14.179 1.00 42.15 O ATOM 1049 CB ARG A 70 -4.444 19.152 13.908 1.00 24.01 C ATOM 1050 CG ARG A 70 -4.627 17.736 14.428 1.00 21.44 C ATOM 1051 CD ARG A 70 -3.293 17.083 14.751 1.00 21.44 C ATOM 1052 NE ARG A 70 -3.461 15.801 15.430 1.00 61.14 N ATOM 1053 CZ ARG A 70 -3.852 14.690 14.816 1.00 33.10 C ATOM 1054 NH1 ARG A 70 -4.114 14.703 13.517 1.00 74.11 N ATOM 1055 NH2 ARG A 70 -3.982 13.561 15.502 1.00 40.33 N ATOM 0 H ARG A 70 -6.689 18.620 13.021 1.00 51.43 H new ATOM 0 HA ARG A 70 -5.797 20.182 15.221 1.00 74.30 H new ATOM 0 HB2 ARG A 70 -4.237 19.113 12.839 1.00 24.01 H new ATOM 0 HB3 ARG A 70 -3.570 19.595 14.386 1.00 24.01 H new ATOM 0 HG2 ARG A 70 -5.250 17.754 15.322 1.00 21.44 H new ATOM 0 HG3 ARG A 70 -5.154 17.139 13.684 1.00 21.44 H new ATOM 0 HD2 ARG A 70 -2.730 16.934 13.830 1.00 21.44 H new ATOM 0 HD3 ARG A 70 -2.705 17.752 15.380 1.00 21.44 H new ATOM 0 HE ARG A 70 -3.267 15.756 16.430 1.00 61.14 H new ATOM 0 HH11 ARG A 70 -4.016 15.568 12.986 1.00 74.11 H new ATOM 0 HH12 ARG A 70 -4.414 13.848 13.049 1.00 74.11 H new ATOM 0 HH21 ARG A 70 -3.782 13.546 16.502 1.00 40.33 H new ATOM 0 HH22 ARG A 70 -4.282 12.709 15.029 1.00 40.33 H new ATOM 1069 N ARG A 71 -5.787 21.573 12.260 1.00 72.32 N ATOM 1070 CA ARG A 71 -5.608 22.833 11.548 1.00 43.55 C ATOM 1071 C ARG A 71 -6.362 23.962 12.245 1.00 74.31 C ATOM 1072 O ARG A 71 -5.829 25.056 12.429 1.00 21.44 O ATOM 1073 CB ARG A 71 -6.087 22.700 10.102 1.00 3.31 C ATOM 1074 CG ARG A 71 -5.992 23.992 9.307 1.00 44.30 C ATOM 1075 CD ARG A 71 -7.363 24.479 8.867 1.00 2.13 C ATOM 1076 NE ARG A 71 -7.499 25.926 9.000 1.00 73.03 N ATOM 1077 CZ ARG A 71 -7.036 26.793 8.106 1.00 43.33 C ATOM 1078 NH1 ARG A 71 -6.409 26.360 7.020 1.00 4.34 N ATOM 1079 NH2 ARG A 71 -7.197 28.096 8.297 1.00 31.31 N ATOM 0 H ARG A 71 -6.219 20.834 11.706 1.00 72.32 H new ATOM 0 HA ARG A 71 -4.545 23.074 11.549 1.00 43.55 H new ATOM 0 HB2 ARG A 71 -5.497 21.932 9.602 1.00 3.31 H new ATOM 0 HB3 ARG A 71 -7.122 22.358 10.101 1.00 3.31 H new ATOM 0 HG2 ARG A 71 -5.510 24.759 9.914 1.00 44.30 H new ATOM 0 HG3 ARG A 71 -5.362 23.836 8.431 1.00 44.30 H new ATOM 0 HD2 ARG A 71 -7.533 24.193 7.829 1.00 2.13 H new ATOM 0 HD3 ARG A 71 -8.131 23.987 9.463 1.00 2.13 H new ATOM 0 HE ARG A 71 -7.976 26.292 9.824 1.00 73.03 H new ATOM 0 HH11 ARG A 71 -6.281 25.359 6.870 1.00 4.34 H new ATOM 0 HH12 ARG A 71 -6.055 27.028 6.335 1.00 4.34 H new ATOM 0 HH21 ARG A 71 -7.677 28.434 9.131 1.00 31.31 H new ATOM 0 HH22 ARG A 71 -6.841 28.760 7.610 1.00 31.31 H new ATOM 1093 N GLU A 72 -7.605 23.687 12.627 1.00 55.01 N ATOM 1094 CA GLU A 72 -8.433 24.681 13.301 1.00 52.44 C ATOM 1095 C GLU A 72 -7.899 24.975 14.700 1.00 54.11 C ATOM 1096 O GLU A 72 -7.656 26.129 15.055 1.00 62.21 O ATOM 1097 CB GLU A 72 -9.881 24.197 13.388 1.00 14.24 C ATOM 1098 CG GLU A 72 -10.889 25.320 13.565 1.00 71.11 C ATOM 1099 CD GLU A 72 -12.068 25.201 12.619 1.00 50.13 C ATOM 1100 OE1 GLU A 72 -11.882 25.440 11.407 1.00 23.22 O ATOM 1101 OE2 GLU A 72 -13.176 24.870 13.090 1.00 54.12 O ATOM 0 H GLU A 72 -8.060 22.786 12.482 1.00 55.01 H new ATOM 0 HA GLU A 72 -8.399 25.601 12.717 1.00 52.44 H new ATOM 0 HB2 GLU A 72 -10.124 23.641 12.482 1.00 14.24 H new ATOM 0 HB3 GLU A 72 -9.973 23.502 14.223 1.00 14.24 H new ATOM 0 HG2 GLU A 72 -11.251 25.319 14.593 1.00 71.11 H new ATOM 0 HG3 GLU A 72 -10.393 26.277 13.403 1.00 71.11 H new ATOM 1108 N LYS A 73 -7.719 23.923 15.491 1.00 55.31 N ATOM 1109 CA LYS A 73 -7.213 24.066 16.852 1.00 55.01 C ATOM 1110 C LYS A 73 -5.850 24.750 16.857 1.00 53.13 C ATOM 1111 O LYS A 73 -5.465 25.381 17.841 1.00 44.43 O ATOM 1112 CB LYS A 73 -7.111 22.696 17.526 1.00 64.15 C ATOM 1113 CG LYS A 73 -8.229 22.420 18.514 1.00 3.54 C ATOM 1114 CD LYS A 73 -7.914 22.991 19.887 1.00 2.53 C ATOM 1115 CE LYS A 73 -9.179 23.408 20.621 1.00 21.21 C ATOM 1116 NZ LYS A 73 -9.393 22.608 21.859 1.00 61.44 N ATOM 0 H LYS A 73 -7.916 22.961 15.213 1.00 55.31 H new ATOM 0 HA LYS A 73 -7.913 24.688 17.410 1.00 55.01 H new ATOM 0 HB2 LYS A 73 -7.116 21.922 16.759 1.00 64.15 H new ATOM 0 HB3 LYS A 73 -6.154 22.625 18.044 1.00 64.15 H new ATOM 0 HG2 LYS A 73 -9.158 22.853 18.143 1.00 3.54 H new ATOM 0 HG3 LYS A 73 -8.388 21.345 18.594 1.00 3.54 H new ATOM 0 HD2 LYS A 73 -7.378 22.248 20.477 1.00 2.53 H new ATOM 0 HD3 LYS A 73 -7.253 23.851 19.782 1.00 2.53 H new ATOM 0 HE2 LYS A 73 -9.117 24.465 20.878 1.00 21.21 H new ATOM 0 HE3 LYS A 73 -10.038 23.290 19.960 1.00 21.21 H new ATOM 0 HZ1 LYS A 73 -10.265 22.923 22.330 1.00 61.44 H new ATOM 0 HZ2 LYS A 73 -9.477 21.601 21.612 1.00 61.44 H new ATOM 0 HZ3 LYS A 73 -8.586 22.740 22.501 1.00 61.44 H new ATOM 1130 N PHE A 74 -5.126 24.624 15.750 1.00 25.11 N ATOM 1131 CA PHE A 74 -3.805 25.231 15.627 1.00 35.33 C ATOM 1132 C PHE A 74 -3.909 26.655 15.089 1.00 1.14 C ATOM 1133 O PHE A 74 -3.041 27.490 15.340 1.00 34.31 O ATOM 1134 CB PHE A 74 -2.917 24.390 14.708 1.00 34.34 C ATOM 1135 CG PHE A 74 -1.497 24.872 14.640 1.00 53.40 C ATOM 1136 CD1 PHE A 74 -0.562 24.446 15.569 1.00 53.33 C ATOM 1137 CD2 PHE A 74 -1.097 25.753 13.648 1.00 2.21 C ATOM 1138 CE1 PHE A 74 0.747 24.889 15.510 1.00 23.44 C ATOM 1139 CE2 PHE A 74 0.210 26.198 13.583 1.00 42.20 C ATOM 1140 CZ PHE A 74 1.133 25.766 14.516 1.00 71.05 C ATOM 0 H PHE A 74 -5.431 24.107 14.925 1.00 25.11 H new ATOM 0 HA PHE A 74 -3.356 25.268 16.620 1.00 35.33 H new ATOM 0 HB2 PHE A 74 -2.925 23.357 15.055 1.00 34.34 H new ATOM 0 HB3 PHE A 74 -3.341 24.393 13.704 1.00 34.34 H new ATOM 0 HD1 PHE A 74 -0.859 23.760 16.349 1.00 53.33 H new ATOM 0 HD2 PHE A 74 -1.815 26.096 12.917 1.00 2.21 H new ATOM 0 HE1 PHE A 74 1.466 24.549 16.241 1.00 23.44 H new ATOM 0 HE2 PHE A 74 0.510 26.883 12.804 1.00 42.20 H new ATOM 0 HZ PHE A 74 2.154 26.114 14.468 1.00 71.05 H new ATOM 1150 N GLY A 75 -4.979 26.924 14.346 1.00 30.34 N ATOM 1151 CA GLY A 75 -5.178 28.247 13.784 1.00 64.44 C ATOM 1152 C GLY A 75 -4.929 28.284 12.288 1.00 50.00 C ATOM 1153 O GLY A 75 -4.664 27.253 11.670 1.00 22.45 O ATOM 0 H GLY A 75 -5.711 26.249 14.124 1.00 30.34 H new ATOM 0 HA2 GLY A 75 -6.197 28.576 13.988 1.00 64.44 H new ATOM 0 HA3 GLY A 75 -4.510 28.953 14.278 1.00 64.44 H new ATOM 1157 N SER A 76 -5.015 29.475 11.705 1.00 55.41 N ATOM 1158 CA SER A 76 -4.803 29.642 10.272 1.00 22.33 C ATOM 1159 C SER A 76 -3.318 29.570 9.931 1.00 62.24 C ATOM 1160 O SER A 76 -2.477 30.102 10.656 1.00 43.11 O ATOM 1161 CB SER A 76 -5.382 30.977 9.801 1.00 14.44 C ATOM 1162 OG SER A 76 -5.228 31.135 8.402 1.00 64.05 O ATOM 0 H SER A 76 -5.230 30.339 12.203 1.00 55.41 H new ATOM 0 HA SER A 76 -5.316 28.830 9.757 1.00 22.33 H new ATOM 0 HB2 SER A 76 -6.439 31.031 10.062 1.00 14.44 H new ATOM 0 HB3 SER A 76 -4.884 31.796 10.320 1.00 14.44 H new ATOM 0 HG SER A 76 -5.608 31.995 8.126 1.00 64.05 H new ATOM 1168 N SER A 77 -3.003 28.909 8.821 1.00 11.32 N ATOM 1169 CA SER A 77 -1.619 28.764 8.385 1.00 3.22 C ATOM 1170 C SER A 77 -1.553 28.255 6.949 1.00 32.53 C ATOM 1171 O SER A 77 -2.107 27.203 6.623 1.00 55.43 O ATOM 1172 CB SER A 77 -0.867 27.807 9.312 1.00 2.14 C ATOM 1173 OG SER A 77 0.021 26.980 8.580 1.00 12.41 O ATOM 0 H SER A 77 -3.687 28.466 8.208 1.00 11.32 H new ATOM 0 HA SER A 77 -1.146 29.745 8.427 1.00 3.22 H new ATOM 0 HB2 SER A 77 -0.309 28.378 10.054 1.00 2.14 H new ATOM 0 HB3 SER A 77 -1.580 27.188 9.857 1.00 2.14 H new ATOM 0 HG SER A 77 0.514 26.401 9.198 1.00 12.41 H new ATOM 1179 N LYS A 78 -0.872 29.008 6.091 1.00 12.22 N ATOM 1180 CA LYS A 78 -0.732 28.635 4.688 1.00 11.40 C ATOM 1181 C LYS A 78 -0.131 27.239 4.554 1.00 53.11 C ATOM 1182 O LYS A 78 -0.348 26.554 3.556 1.00 54.14 O ATOM 1183 CB LYS A 78 0.145 29.653 3.955 1.00 63.40 C ATOM 1184 CG LYS A 78 1.552 29.760 4.517 1.00 13.31 C ATOM 1185 CD LYS A 78 1.825 31.148 5.073 1.00 72.02 C ATOM 1186 CE LYS A 78 3.218 31.243 5.678 1.00 31.42 C ATOM 1187 NZ LYS A 78 4.259 31.481 4.640 1.00 12.24 N ATOM 0 H LYS A 78 -0.408 29.881 6.343 1.00 12.22 H new ATOM 0 HA LYS A 78 -1.725 28.628 4.238 1.00 11.40 H new ATOM 0 HB2 LYS A 78 0.203 29.378 2.902 1.00 63.40 H new ATOM 0 HB3 LYS A 78 -0.332 30.632 4.003 1.00 63.40 H new ATOM 0 HG2 LYS A 78 1.688 29.018 5.304 1.00 13.31 H new ATOM 0 HG3 LYS A 78 2.276 29.531 3.735 1.00 13.31 H new ATOM 0 HD2 LYS A 78 1.722 31.886 4.278 1.00 72.02 H new ATOM 0 HD3 LYS A 78 1.081 31.390 5.832 1.00 72.02 H new ATOM 0 HE2 LYS A 78 3.242 32.052 6.409 1.00 31.42 H new ATOM 0 HE3 LYS A 78 3.444 30.322 6.215 1.00 31.42 H new ATOM 0 HZ1 LYS A 78 5.194 31.539 5.093 1.00 12.24 H new ATOM 0 HZ2 LYS A 78 4.254 30.697 3.957 1.00 12.24 H new ATOM 0 HZ3 LYS A 78 4.058 32.373 4.145 1.00 12.24 H new ATOM 1201 N GLU A 79 0.624 26.825 5.567 1.00 2.23 N ATOM 1202 CA GLU A 79 1.255 25.511 5.561 1.00 3.32 C ATOM 1203 C GLU A 79 0.212 24.405 5.697 1.00 11.31 C ATOM 1204 O GLU A 79 0.064 23.564 4.810 1.00 44.23 O ATOM 1205 CB GLU A 79 2.277 25.405 6.695 1.00 62.21 C ATOM 1206 CG GLU A 79 3.602 26.082 6.386 1.00 10.14 C ATOM 1207 CD GLU A 79 4.624 25.894 7.489 1.00 13.23 C ATOM 1208 OE1 GLU A 79 4.306 26.218 8.654 1.00 71.54 O ATOM 1209 OE2 GLU A 79 5.741 25.425 7.190 1.00 4.12 O ATOM 0 H GLU A 79 0.813 27.380 6.401 1.00 2.23 H new ATOM 0 HA GLU A 79 1.768 25.388 4.607 1.00 3.32 H new ATOM 0 HB2 GLU A 79 1.854 25.848 7.597 1.00 62.21 H new ATOM 0 HB3 GLU A 79 2.458 24.352 6.912 1.00 62.21 H new ATOM 0 HG2 GLU A 79 4.001 25.682 5.454 1.00 10.14 H new ATOM 0 HG3 GLU A 79 3.434 27.147 6.230 1.00 10.14 H new ATOM 1216 N ILE A 80 -0.509 24.415 6.813 1.00 41.41 N ATOM 1217 CA ILE A 80 -1.538 23.414 7.066 1.00 72.33 C ATOM 1218 C ILE A 80 -2.682 23.538 6.065 1.00 64.13 C ATOM 1219 O ILE A 80 -3.227 22.535 5.604 1.00 32.14 O ATOM 1220 CB ILE A 80 -2.105 23.537 8.493 1.00 43.01 C ATOM 1221 CG1 ILE A 80 -0.968 23.562 9.516 1.00 15.41 C ATOM 1222 CG2 ILE A 80 -3.062 22.390 8.784 1.00 63.44 C ATOM 1223 CD1 ILE A 80 -1.444 23.695 10.945 1.00 34.14 C ATOM 0 H ILE A 80 -0.400 25.105 7.556 1.00 41.41 H new ATOM 0 HA ILE A 80 -1.064 22.439 6.955 1.00 72.33 H new ATOM 0 HB ILE A 80 -2.658 24.473 8.569 1.00 43.01 H new ATOM 0 HG12 ILE A 80 -0.384 22.647 9.420 1.00 15.41 H new ATOM 0 HG13 ILE A 80 -0.301 24.392 9.285 1.00 15.41 H new ATOM 0 HG21 ILE A 80 -3.454 22.491 9.796 1.00 63.44 H new ATOM 0 HG22 ILE A 80 -3.886 22.414 8.071 1.00 63.44 H new ATOM 0 HG23 ILE A 80 -2.532 21.442 8.693 1.00 63.44 H new ATOM 0 HD11 ILE A 80 -0.585 23.706 11.615 1.00 34.14 H new ATOM 0 HD12 ILE A 80 -2.003 24.624 11.057 1.00 34.14 H new ATOM 0 HD13 ILE A 80 -2.088 22.851 11.194 1.00 34.14 H new ATOM 1235 N ASP A 81 -3.038 24.773 5.731 1.00 0.02 N ATOM 1236 CA ASP A 81 -4.115 25.028 4.781 1.00 42.22 C ATOM 1237 C ASP A 81 -3.834 24.348 3.445 1.00 13.55 C ATOM 1238 O ASP A 81 -4.701 23.680 2.884 1.00 71.15 O ATOM 1239 CB ASP A 81 -4.295 26.533 4.574 1.00 3.12 C ATOM 1240 CG ASP A 81 -5.612 26.872 3.904 1.00 22.22 C ATOM 1241 OD1 ASP A 81 -6.440 25.954 3.725 1.00 31.22 O ATOM 1242 OD2 ASP A 81 -5.815 28.054 3.559 1.00 74.04 O ATOM 0 H ASP A 81 -2.597 25.614 6.104 1.00 0.02 H new ATOM 0 HA ASP A 81 -5.035 24.613 5.192 1.00 42.22 H new ATOM 0 HB2 ASP A 81 -4.241 27.038 5.538 1.00 3.12 H new ATOM 0 HB3 ASP A 81 -3.473 26.914 3.967 1.00 3.12 H new ATOM 1247 N MET A 82 -2.616 24.524 2.942 1.00 74.42 N ATOM 1248 CA MET A 82 -2.221 23.928 1.672 1.00 21.54 C ATOM 1249 C MET A 82 -2.277 22.404 1.745 1.00 15.33 C ATOM 1250 O MET A 82 -2.846 21.752 0.872 1.00 3.03 O ATOM 1251 CB MET A 82 -0.812 24.379 1.287 1.00 55.23 C ATOM 1252 CG MET A 82 -0.764 25.775 0.686 1.00 64.45 C ATOM 1253 SD MET A 82 -0.489 25.753 -1.097 1.00 5.00 S ATOM 1254 CE MET A 82 -0.541 27.505 -1.468 1.00 23.31 C ATOM 0 H MET A 82 -1.886 25.074 3.395 1.00 74.42 H new ATOM 0 HA MET A 82 -2.923 24.264 0.909 1.00 21.54 H new ATOM 0 HB2 MET A 82 -0.176 24.351 2.172 1.00 55.23 H new ATOM 0 HB3 MET A 82 -0.395 23.670 0.572 1.00 55.23 H new ATOM 0 HG2 MET A 82 -1.700 26.291 0.899 1.00 64.45 H new ATOM 0 HG3 MET A 82 0.031 26.346 1.166 1.00 64.45 H new ATOM 0 HE1 MET A 82 -0.386 27.655 -2.536 1.00 23.31 H new ATOM 0 HE2 MET A 82 -1.512 27.909 -1.181 1.00 23.31 H new ATOM 0 HE3 MET A 82 0.244 28.018 -0.912 1.00 23.31 H new ATOM 1264 N ALA A 83 -1.682 21.846 2.795 1.00 24.43 N ATOM 1265 CA ALA A 83 -1.665 20.401 2.984 1.00 22.42 C ATOM 1266 C ALA A 83 -3.071 19.818 2.890 1.00 34.52 C ATOM 1267 O ALA A 83 -3.274 18.749 2.313 1.00 73.12 O ATOM 1268 CB ALA A 83 -1.035 20.050 4.324 1.00 33.32 C ATOM 0 H ALA A 83 -1.206 22.373 3.527 1.00 24.43 H new ATOM 0 HA ALA A 83 -1.064 19.963 2.187 1.00 22.42 H new ATOM 0 HB1 ALA A 83 -1.029 18.967 4.451 1.00 33.32 H new ATOM 0 HB2 ALA A 83 -0.012 20.424 4.354 1.00 33.32 H new ATOM 0 HB3 ALA A 83 -1.612 20.507 5.128 1.00 33.32 H new ATOM 1274 N ILE A 84 -4.040 20.528 3.459 1.00 0.32 N ATOM 1275 CA ILE A 84 -5.428 20.081 3.439 1.00 65.22 C ATOM 1276 C ILE A 84 -5.984 20.081 2.019 1.00 41.21 C ATOM 1277 O ILE A 84 -6.415 19.047 1.510 1.00 52.11 O ATOM 1278 CB ILE A 84 -6.318 20.968 4.329 1.00 63.43 C ATOM 1279 CG1 ILE A 84 -5.824 20.938 5.776 1.00 43.04 C ATOM 1280 CG2 ILE A 84 -7.767 20.513 4.249 1.00 21.41 C ATOM 1281 CD1 ILE A 84 -6.156 22.191 6.554 1.00 3.25 C ATOM 0 H ILE A 84 -3.890 21.415 3.939 1.00 0.32 H new ATOM 0 HA ILE A 84 -5.439 19.064 3.830 1.00 65.22 H new ATOM 0 HB ILE A 84 -6.259 21.994 3.967 1.00 63.43 H new ATOM 0 HG12 ILE A 84 -6.262 20.078 6.283 1.00 43.04 H new ATOM 0 HG13 ILE A 84 -4.744 20.793 5.780 1.00 43.04 H new ATOM 0 HG21 ILE A 84 -8.384 21.150 4.883 1.00 21.41 H new ATOM 0 HG22 ILE A 84 -8.114 20.583 3.218 1.00 21.41 H new ATOM 0 HG23 ILE A 84 -7.843 19.480 4.588 1.00 21.41 H new ATOM 0 HD11 ILE A 84 -5.775 22.099 7.571 1.00 3.25 H new ATOM 0 HD12 ILE A 84 -5.695 23.052 6.070 1.00 3.25 H new ATOM 0 HD13 ILE A 84 -7.237 22.326 6.582 1.00 3.25 H new ATOM 1293 N VAL A 85 -5.970 21.249 1.384 1.00 1.33 N ATOM 1294 CA VAL A 85 -6.471 21.384 0.022 1.00 12.23 C ATOM 1295 C VAL A 85 -5.830 20.356 -0.904 1.00 53.44 C ATOM 1296 O VAL A 85 -6.432 19.932 -1.890 1.00 22.45 O ATOM 1297 CB VAL A 85 -6.207 22.796 -0.535 1.00 2.12 C ATOM 1298 CG1 VAL A 85 -6.704 22.905 -1.969 1.00 52.24 C ATOM 1299 CG2 VAL A 85 -6.862 23.848 0.347 1.00 20.31 C ATOM 0 H VAL A 85 -5.617 22.115 1.791 1.00 1.33 H new ATOM 0 HA VAL A 85 -7.547 21.212 0.061 1.00 12.23 H new ATOM 0 HB VAL A 85 -5.132 22.973 -0.534 1.00 2.12 H new ATOM 0 HG11 VAL A 85 -6.509 23.909 -2.346 1.00 52.24 H new ATOM 0 HG12 VAL A 85 -6.184 22.176 -2.591 1.00 52.24 H new ATOM 0 HG13 VAL A 85 -7.776 22.708 -1.999 1.00 52.24 H new ATOM 0 HG21 VAL A 85 -6.665 24.839 -0.062 1.00 20.31 H new ATOM 0 HG22 VAL A 85 -7.938 23.676 0.380 1.00 20.31 H new ATOM 0 HG23 VAL A 85 -6.453 23.783 1.355 1.00 20.31 H new ATOM 1309 N THR A 86 -4.603 19.959 -0.580 1.00 12.21 N ATOM 1310 CA THR A 86 -3.880 18.981 -1.381 1.00 70.01 C ATOM 1311 C THR A 86 -4.521 17.603 -1.278 1.00 65.02 C ATOM 1312 O THR A 86 -4.941 17.025 -2.281 1.00 63.42 O ATOM 1313 CB THR A 86 -2.404 18.882 -0.950 1.00 72.41 C ATOM 1314 OG1 THR A 86 -1.743 20.133 -1.174 1.00 22.13 O ATOM 1315 CG2 THR A 86 -1.689 17.781 -1.717 1.00 24.42 C ATOM 0 H THR A 86 -4.090 20.301 0.232 1.00 12.21 H new ATOM 0 HA THR A 86 -3.927 19.323 -2.415 1.00 70.01 H new ATOM 0 HB THR A 86 -2.374 18.641 0.113 1.00 72.41 H new ATOM 0 HG1 THR A 86 -2.051 20.788 -0.514 1.00 22.13 H new ATOM 0 HG21 THR A 86 -0.649 17.730 -1.396 1.00 24.42 H new ATOM 0 HG22 THR A 86 -2.176 16.826 -1.521 1.00 24.42 H new ATOM 0 HG23 THR A 86 -1.729 17.997 -2.785 1.00 24.42 H new ATOM 1323 N LEU A 87 -4.595 17.079 -0.059 1.00 72.52 N ATOM 1324 CA LEU A 87 -5.187 15.767 0.175 1.00 43.50 C ATOM 1325 C LEU A 87 -6.597 15.694 -0.401 1.00 52.20 C ATOM 1326 O LEU A 87 -7.079 14.620 -0.759 1.00 12.00 O ATOM 1327 CB LEU A 87 -5.219 15.461 1.675 1.00 73.32 C ATOM 1328 CG LEU A 87 -3.861 15.278 2.352 1.00 60.55 C ATOM 1329 CD1 LEU A 87 -3.936 15.681 3.816 1.00 14.20 C ATOM 1330 CD2 LEU A 87 -3.389 13.837 2.217 1.00 52.43 C ATOM 0 H LEU A 87 -4.252 17.543 0.782 1.00 72.52 H new ATOM 0 HA LEU A 87 -4.571 15.022 -0.329 1.00 43.50 H new ATOM 0 HB2 LEU A 87 -5.748 16.270 2.179 1.00 73.32 H new ATOM 0 HB3 LEU A 87 -5.804 14.554 1.828 1.00 73.32 H new ATOM 0 HG LEU A 87 -3.138 15.925 1.855 1.00 60.55 H new ATOM 0 HD11 LEU A 87 -2.960 15.544 4.282 1.00 14.20 H new ATOM 0 HD12 LEU A 87 -4.230 16.728 3.891 1.00 14.20 H new ATOM 0 HD13 LEU A 87 -4.672 15.060 4.327 1.00 14.20 H new ATOM 0 HD21 LEU A 87 -2.421 13.724 2.704 1.00 52.43 H new ATOM 0 HD22 LEU A 87 -4.112 13.172 2.688 1.00 52.43 H new ATOM 0 HD23 LEU A 87 -3.296 13.582 1.161 1.00 52.43 H new ATOM 1342 N LYS A 88 -7.254 16.846 -0.490 1.00 71.05 N ATOM 1343 CA LYS A 88 -8.608 16.916 -1.026 1.00 2.15 C ATOM 1344 C LYS A 88 -8.596 16.824 -2.549 1.00 44.25 C ATOM 1345 O LYS A 88 -9.033 15.827 -3.125 1.00 51.54 O ATOM 1346 CB LYS A 88 -9.286 18.215 -0.588 1.00 14.14 C ATOM 1347 CG LYS A 88 -9.249 18.445 0.913 1.00 71.42 C ATOM 1348 CD LYS A 88 -10.624 18.273 1.538 1.00 45.03 C ATOM 1349 CE LYS A 88 -10.838 19.243 2.689 1.00 75.52 C ATOM 1350 NZ LYS A 88 -12.282 19.535 2.905 1.00 34.42 N ATOM 0 H LYS A 88 -6.870 17.744 -0.197 1.00 71.05 H new ATOM 0 HA LYS A 88 -9.171 16.070 -0.633 1.00 2.15 H new ATOM 0 HB2 LYS A 88 -8.802 19.054 -1.088 1.00 14.14 H new ATOM 0 HB3 LYS A 88 -10.324 18.203 -0.920 1.00 14.14 H new ATOM 0 HG2 LYS A 88 -8.550 17.746 1.372 1.00 71.42 H new ATOM 0 HG3 LYS A 88 -8.878 19.449 1.119 1.00 71.42 H new ATOM 0 HD2 LYS A 88 -11.392 18.431 0.780 1.00 45.03 H new ATOM 0 HD3 LYS A 88 -10.736 17.250 1.897 1.00 45.03 H new ATOM 0 HE2 LYS A 88 -10.411 18.825 3.601 1.00 75.52 H new ATOM 0 HE3 LYS A 88 -10.306 20.172 2.485 1.00 75.52 H new ATOM 0 HZ1 LYS A 88 -12.386 20.213 3.687 1.00 34.42 H new ATOM 0 HZ2 LYS A 88 -12.687 19.942 2.038 1.00 34.42 H new ATOM 0 HZ3 LYS A 88 -12.783 18.655 3.141 1.00 34.42 H new ATOM 1364 N VAL A 89 -8.091 17.870 -3.196 1.00 25.22 N ATOM 1365 CA VAL A 89 -8.019 17.906 -4.651 1.00 41.02 C ATOM 1366 C VAL A 89 -7.338 16.657 -5.199 1.00 33.32 C ATOM 1367 O VAL A 89 -7.705 16.152 -6.261 1.00 41.14 O ATOM 1368 CB VAL A 89 -7.257 19.150 -5.145 1.00 55.53 C ATOM 1369 CG1 VAL A 89 -5.831 19.149 -4.615 1.00 12.21 C ATOM 1370 CG2 VAL A 89 -7.270 19.214 -6.665 1.00 52.34 C ATOM 0 H VAL A 89 -7.726 18.703 -2.735 1.00 25.22 H new ATOM 0 HA VAL A 89 -9.045 17.948 -5.017 1.00 41.02 H new ATOM 0 HB VAL A 89 -7.760 20.038 -4.763 1.00 55.53 H new ATOM 0 HG11 VAL A 89 -5.309 20.035 -4.975 1.00 12.21 H new ATOM 0 HG12 VAL A 89 -5.848 19.155 -3.525 1.00 12.21 H new ATOM 0 HG13 VAL A 89 -5.313 18.256 -4.965 1.00 12.21 H new ATOM 0 HG21 VAL A 89 -6.727 20.099 -6.997 1.00 52.34 H new ATOM 0 HG22 VAL A 89 -6.792 18.322 -7.071 1.00 52.34 H new ATOM 0 HG23 VAL A 89 -8.300 19.267 -7.018 1.00 52.34 H new ATOM 1380 N PHE A 90 -6.346 16.161 -4.468 1.00 22.31 N ATOM 1381 CA PHE A 90 -5.614 14.970 -4.880 1.00 44.23 C ATOM 1382 C PHE A 90 -6.502 13.731 -4.806 1.00 54.21 C ATOM 1383 O PHE A 90 -6.590 12.960 -5.760 1.00 31.34 O ATOM 1384 CB PHE A 90 -4.376 14.777 -4.002 1.00 43.34 C ATOM 1385 CG PHE A 90 -3.682 13.463 -4.224 1.00 44.32 C ATOM 1386 CD1 PHE A 90 -2.852 13.279 -5.318 1.00 3.41 C ATOM 1387 CD2 PHE A 90 -3.860 12.412 -3.338 1.00 70.21 C ATOM 1388 CE1 PHE A 90 -2.211 12.072 -5.524 1.00 62.35 C ATOM 1389 CE2 PHE A 90 -3.222 11.203 -3.540 1.00 23.34 C ATOM 1390 CZ PHE A 90 -2.398 11.032 -4.635 1.00 3.23 C ATOM 0 H PHE A 90 -6.030 16.566 -3.587 1.00 22.31 H new ATOM 0 HA PHE A 90 -5.300 15.108 -5.915 1.00 44.23 H new ATOM 0 HB2 PHE A 90 -3.673 15.587 -4.196 1.00 43.34 H new ATOM 0 HB3 PHE A 90 -4.668 14.852 -2.955 1.00 43.34 H new ATOM 0 HD1 PHE A 90 -2.704 14.088 -6.018 1.00 3.41 H new ATOM 0 HD2 PHE A 90 -4.504 12.539 -2.481 1.00 70.21 H new ATOM 0 HE1 PHE A 90 -1.565 11.942 -6.379 1.00 62.35 H new ATOM 0 HE2 PHE A 90 -3.368 10.392 -2.842 1.00 23.34 H new ATOM 0 HZ PHE A 90 -1.901 10.087 -4.796 1.00 3.23 H new ATOM 1400 N ALA A 91 -7.157 13.548 -3.665 1.00 53.53 N ATOM 1401 CA ALA A 91 -8.039 12.406 -3.464 1.00 32.22 C ATOM 1402 C ALA A 91 -9.045 12.283 -4.604 1.00 64.44 C ATOM 1403 O ALA A 91 -9.274 11.193 -5.129 1.00 3.40 O ATOM 1404 CB ALA A 91 -8.763 12.525 -2.131 1.00 24.10 C ATOM 0 H ALA A 91 -7.093 14.177 -2.865 1.00 53.53 H new ATOM 0 HA ALA A 91 -7.427 11.504 -3.453 1.00 32.22 H new ATOM 0 HB1 ALA A 91 -9.418 11.665 -1.995 1.00 24.10 H new ATOM 0 HB2 ALA A 91 -8.033 12.557 -1.322 1.00 24.10 H new ATOM 0 HB3 ALA A 91 -9.357 13.439 -2.120 1.00 24.10 H new ATOM 1410 N VAL A 92 -9.643 13.408 -4.985 1.00 1.55 N ATOM 1411 CA VAL A 92 -10.624 13.426 -6.064 1.00 5.32 C ATOM 1412 C VAL A 92 -9.945 13.317 -7.424 1.00 24.22 C ATOM 1413 O VAL A 92 -10.467 12.680 -8.340 1.00 53.33 O ATOM 1414 CB VAL A 92 -11.475 14.708 -6.027 1.00 73.45 C ATOM 1415 CG1 VAL A 92 -12.288 14.773 -4.744 1.00 34.14 C ATOM 1416 CG2 VAL A 92 -10.590 15.937 -6.170 1.00 54.35 C ATOM 0 H VAL A 92 -9.465 14.319 -4.562 1.00 1.55 H new ATOM 0 HA VAL A 92 -11.275 12.564 -5.916 1.00 5.32 H new ATOM 0 HB VAL A 92 -12.169 14.687 -6.867 1.00 73.45 H new ATOM 0 HG11 VAL A 92 -12.883 15.686 -4.736 1.00 34.14 H new ATOM 0 HG12 VAL A 92 -12.949 13.908 -4.688 1.00 34.14 H new ATOM 0 HG13 VAL A 92 -11.615 14.771 -3.886 1.00 34.14 H new ATOM 0 HG21 VAL A 92 -11.207 16.835 -6.142 1.00 54.35 H new ATOM 0 HG22 VAL A 92 -9.871 15.965 -5.351 1.00 54.35 H new ATOM 0 HG23 VAL A 92 -10.057 15.893 -7.120 1.00 54.35 H new ATOM 1426 N ALA A 93 -8.779 13.941 -7.550 1.00 13.44 N ATOM 1427 CA ALA A 93 -8.027 13.912 -8.798 1.00 74.21 C ATOM 1428 C ALA A 93 -7.409 12.539 -9.036 1.00 35.10 C ATOM 1429 O ALA A 93 -6.863 12.270 -10.104 1.00 32.40 O ATOM 1430 CB ALA A 93 -6.948 14.985 -8.789 1.00 30.10 C ATOM 0 H ALA A 93 -8.334 14.473 -6.802 1.00 13.44 H new ATOM 0 HA ALA A 93 -8.719 14.115 -9.615 1.00 74.21 H new ATOM 0 HB1 ALA A 93 -6.394 14.952 -9.727 1.00 30.10 H new ATOM 0 HB2 ALA A 93 -7.411 15.965 -8.675 1.00 30.10 H new ATOM 0 HB3 ALA A 93 -6.265 14.807 -7.958 1.00 30.10 H new ATOM 1436 N GLY A 94 -7.499 11.673 -8.031 1.00 34.34 N ATOM 1437 CA GLY A 94 -6.943 10.338 -8.151 1.00 21.44 C ATOM 1438 C GLY A 94 -7.995 9.257 -8.003 1.00 24.44 C ATOM 1439 O GLY A 94 -8.295 8.536 -8.957 1.00 54.34 O ATOM 0 H GLY A 94 -7.947 11.872 -7.136 1.00 34.34 H new ATOM 0 HA2 GLY A 94 -6.456 10.236 -9.121 1.00 21.44 H new ATOM 0 HA3 GLY A 94 -6.174 10.198 -7.392 1.00 21.44 H new ATOM 1443 N LEU A 95 -8.557 9.140 -6.805 1.00 22.12 N ATOM 1444 CA LEU A 95 -9.582 8.137 -6.535 1.00 5.01 C ATOM 1445 C LEU A 95 -10.820 8.378 -7.392 1.00 5.01 C ATOM 1446 O LEU A 95 -11.363 7.450 -7.993 1.00 12.10 O ATOM 1447 CB LEU A 95 -9.961 8.153 -5.053 1.00 63.52 C ATOM 1448 CG LEU A 95 -8.887 7.667 -4.079 1.00 74.11 C ATOM 1449 CD1 LEU A 95 -8.246 6.385 -4.588 1.00 74.02 C ATOM 1450 CD2 LEU A 95 -7.834 8.745 -3.867 1.00 10.31 C ATOM 0 H LEU A 95 -8.320 9.727 -6.005 1.00 22.12 H new ATOM 0 HA LEU A 95 -9.174 7.159 -6.788 1.00 5.01 H new ATOM 0 HB2 LEU A 95 -10.236 9.172 -4.780 1.00 63.52 H new ATOM 0 HB3 LEU A 95 -10.850 7.536 -4.919 1.00 63.52 H new ATOM 0 HG LEU A 95 -9.361 7.456 -3.120 1.00 74.11 H new ATOM 0 HD11 LEU A 95 -7.484 6.054 -3.882 1.00 74.02 H new ATOM 0 HD12 LEU A 95 -9.008 5.612 -4.688 1.00 74.02 H new ATOM 0 HD13 LEU A 95 -7.786 6.569 -5.559 1.00 74.02 H new ATOM 0 HD21 LEU A 95 -7.077 8.383 -3.171 1.00 10.31 H new ATOM 0 HD22 LEU A 95 -7.364 8.987 -4.820 1.00 10.31 H new ATOM 0 HD23 LEU A 95 -8.305 9.638 -3.457 1.00 10.31 H new ATOM 1462 N LEU A 96 -11.260 9.630 -7.445 1.00 31.30 N ATOM 1463 CA LEU A 96 -12.434 9.995 -8.232 1.00 43.11 C ATOM 1464 C LEU A 96 -12.077 10.146 -9.707 1.00 44.43 C ATOM 1465 O LEU A 96 -12.944 10.393 -10.544 1.00 52.45 O ATOM 1466 CB LEU A 96 -13.039 11.298 -7.706 1.00 24.22 C ATOM 1467 CG LEU A 96 -14.566 11.376 -7.704 1.00 12.23 C ATOM 1468 CD1 LEU A 96 -15.156 10.260 -6.854 1.00 32.22 C ATOM 1469 CD2 LEU A 96 -15.030 12.734 -7.198 1.00 31.41 C ATOM 0 H LEU A 96 -10.823 10.409 -6.953 1.00 31.30 H new ATOM 0 HA LEU A 96 -13.168 9.195 -8.136 1.00 43.11 H new ATOM 0 HB2 LEU A 96 -12.686 11.454 -6.687 1.00 24.22 H new ATOM 0 HB3 LEU A 96 -12.654 12.122 -8.306 1.00 24.22 H new ATOM 0 HG LEU A 96 -14.918 11.252 -8.728 1.00 12.23 H new ATOM 0 HD11 LEU A 96 -16.244 10.331 -6.864 1.00 32.22 H new ATOM 0 HD12 LEU A 96 -14.852 9.295 -7.259 1.00 32.22 H new ATOM 0 HD13 LEU A 96 -14.796 10.354 -5.830 1.00 32.22 H new ATOM 0 HD21 LEU A 96 -16.119 12.772 -7.203 1.00 31.41 H new ATOM 0 HD22 LEU A 96 -14.667 12.887 -6.182 1.00 31.41 H new ATOM 0 HD23 LEU A 96 -14.637 13.517 -7.846 1.00 31.41 H new ATOM 1481 N ASN A 97 -10.793 9.993 -10.018 1.00 25.42 N ATOM 1482 CA ASN A 97 -10.321 10.110 -11.393 1.00 1.33 C ATOM 1483 C ASN A 97 -10.659 11.480 -11.969 1.00 53.14 C ATOM 1484 O ASN A 97 -11.282 11.585 -13.025 1.00 11.40 O ATOM 1485 CB ASN A 97 -10.939 9.012 -12.261 1.00 63.23 C ATOM 1486 CG ASN A 97 -11.001 7.675 -11.548 1.00 74.02 C ATOM 1487 OD1 ASN A 97 -12.065 7.247 -11.101 1.00 34.10 O ATOM 1488 ND2 ASN A 97 -9.857 7.010 -11.438 1.00 14.15 N ATOM 0 H ASN A 97 -10.062 9.788 -9.337 1.00 25.42 H new ATOM 0 HA ASN A 97 -9.237 9.995 -11.390 1.00 1.33 H new ATOM 0 HB2 ASN A 97 -11.945 9.310 -12.556 1.00 63.23 H new ATOM 0 HB3 ASN A 97 -10.357 8.906 -13.176 1.00 63.23 H new ATOM 0 HD21 ASN A 97 -9.836 6.105 -10.967 1.00 14.15 H new ATOM 0 HD22 ASN A 97 -8.999 7.404 -11.824 1.00 14.15 H new ATOM 1495 N MET A 98 -10.243 12.531 -11.267 1.00 25.25 N ATOM 1496 CA MET A 98 -10.502 13.896 -11.710 1.00 44.13 C ATOM 1497 C MET A 98 -11.994 14.205 -11.679 1.00 12.11 C ATOM 1498 O MET A 98 -12.779 13.602 -12.411 1.00 32.53 O ATOM 1499 CB MET A 98 -9.954 14.108 -13.122 1.00 61.23 C ATOM 1500 CG MET A 98 -8.988 15.277 -13.231 1.00 21.22 C ATOM 1501 SD MET A 98 -8.502 15.621 -14.933 1.00 2.21 S ATOM 1502 CE MET A 98 -8.513 17.412 -14.932 1.00 63.33 C ATOM 0 H MET A 98 -9.726 12.463 -10.390 1.00 25.25 H new ATOM 0 HA MET A 98 -9.995 14.576 -11.025 1.00 44.13 H new ATOM 0 HB2 MET A 98 -9.449 13.198 -13.447 1.00 61.23 H new ATOM 0 HB3 MET A 98 -10.787 14.271 -13.805 1.00 61.23 H new ATOM 0 HG2 MET A 98 -9.450 16.166 -12.803 1.00 21.22 H new ATOM 0 HG3 MET A 98 -8.098 15.064 -12.639 1.00 21.22 H new ATOM 0 HE1 MET A 98 -8.232 17.778 -15.919 1.00 63.33 H new ATOM 0 HE2 MET A 98 -9.512 17.770 -14.683 1.00 63.33 H new ATOM 0 HE3 MET A 98 -7.801 17.780 -14.193 1.00 63.33 H new ATOM 1512 N THR A 99 -12.382 15.149 -10.826 1.00 2.10 N ATOM 1513 CA THR A 99 -13.781 15.536 -10.699 1.00 52.33 C ATOM 1514 C THR A 99 -13.914 16.901 -10.031 1.00 42.21 C ATOM 1515 O THR A 99 -14.727 17.083 -9.125 1.00 30.43 O ATOM 1516 CB THR A 99 -14.579 14.500 -9.886 1.00 40.01 C ATOM 1517 OG1 THR A 99 -14.221 13.175 -10.297 1.00 11.14 O ATOM 1518 CG2 THR A 99 -16.076 14.706 -10.068 1.00 70.13 C ATOM 0 H THR A 99 -11.746 15.659 -10.213 1.00 2.10 H new ATOM 0 HA THR A 99 -14.189 15.586 -11.709 1.00 52.33 H new ATOM 0 HB THR A 99 -14.336 14.632 -8.832 1.00 40.01 H new ATOM 0 HG1 THR A 99 -14.016 13.174 -11.255 1.00 11.14 H new ATOM 0 HG21 THR A 99 -16.619 13.963 -9.484 1.00 70.13 H new ATOM 0 HG22 THR A 99 -16.350 15.705 -9.728 1.00 70.13 H new ATOM 0 HG23 THR A 99 -16.333 14.598 -11.122 1.00 70.13 H new ATOM 1526 N VAL A 100 -13.111 17.857 -10.485 1.00 11.40 N ATOM 1527 CA VAL A 100 -13.142 19.207 -9.933 1.00 44.22 C ATOM 1528 C VAL A 100 -12.463 20.200 -10.869 1.00 22.50 C ATOM 1529 O VAL A 100 -11.647 19.819 -11.709 1.00 4.23 O ATOM 1530 CB VAL A 100 -12.454 19.264 -8.556 1.00 15.00 C ATOM 1531 CG1 VAL A 100 -10.947 19.125 -8.705 1.00 11.52 C ATOM 1532 CG2 VAL A 100 -12.810 20.558 -7.837 1.00 25.34 C ATOM 0 H VAL A 100 -12.431 17.723 -11.233 1.00 11.40 H new ATOM 0 HA VAL A 100 -14.191 19.479 -9.820 1.00 44.22 H new ATOM 0 HB VAL A 100 -12.813 18.429 -7.955 1.00 15.00 H new ATOM 0 HG11 VAL A 100 -10.479 19.168 -7.722 1.00 11.52 H new ATOM 0 HG12 VAL A 100 -10.715 18.170 -9.177 1.00 11.52 H new ATOM 0 HG13 VAL A 100 -10.566 19.937 -9.324 1.00 11.52 H new ATOM 0 HG21 VAL A 100 -12.316 20.582 -6.866 1.00 25.34 H new ATOM 0 HG22 VAL A 100 -12.480 21.408 -8.434 1.00 25.34 H new ATOM 0 HG23 VAL A 100 -13.890 20.611 -7.696 1.00 25.34 H new ATOM 1542 N SER A 101 -12.805 21.475 -10.720 1.00 12.24 N ATOM 1543 CA SER A 101 -12.231 22.524 -11.555 1.00 21.42 C ATOM 1544 C SER A 101 -11.044 23.183 -10.860 1.00 33.32 C ATOM 1545 O SER A 101 -9.944 23.248 -11.410 1.00 63.01 O ATOM 1546 CB SER A 101 -13.290 23.576 -11.889 1.00 23.41 C ATOM 1547 OG SER A 101 -14.465 22.972 -12.403 1.00 21.32 O ATOM 0 H SER A 101 -13.477 21.807 -10.028 1.00 12.24 H new ATOM 0 HA SER A 101 -11.880 22.067 -12.480 1.00 21.42 H new ATOM 0 HB2 SER A 101 -13.533 24.148 -10.994 1.00 23.41 H new ATOM 0 HB3 SER A 101 -12.890 24.280 -12.619 1.00 23.41 H new ATOM 0 HG SER A 101 -15.127 23.665 -12.607 1.00 21.32 H new ATOM 1553 N THR A 102 -11.275 23.674 -9.647 1.00 3.41 N ATOM 1554 CA THR A 102 -10.227 24.329 -8.875 1.00 40.21 C ATOM 1555 C THR A 102 -9.997 23.620 -7.545 1.00 52.33 C ATOM 1556 O THR A 102 -10.919 23.039 -6.973 1.00 43.04 O ATOM 1557 CB THR A 102 -10.570 25.806 -8.603 1.00 74.12 C ATOM 1558 OG1 THR A 102 -11.551 25.898 -7.564 1.00 15.21 O ATOM 1559 CG2 THR A 102 -11.093 26.481 -9.862 1.00 43.24 C ATOM 0 H THR A 102 -12.180 23.630 -9.178 1.00 3.41 H new ATOM 0 HA THR A 102 -9.317 24.278 -9.472 1.00 40.21 H new ATOM 0 HB THR A 102 -9.659 26.315 -8.288 1.00 74.12 H new ATOM 0 HG1 THR A 102 -11.762 26.840 -7.396 1.00 15.21 H new ATOM 0 HG21 THR A 102 -11.328 27.523 -9.645 1.00 43.24 H new ATOM 0 HG22 THR A 102 -10.333 26.435 -10.642 1.00 43.24 H new ATOM 0 HG23 THR A 102 -11.993 25.969 -10.202 1.00 43.24 H new ATOM 1567 N ALA A 103 -8.762 23.673 -7.058 1.00 45.11 N ATOM 1568 CA ALA A 103 -8.412 23.037 -5.794 1.00 42.30 C ATOM 1569 C ALA A 103 -9.365 23.463 -4.683 1.00 2.31 C ATOM 1570 O ALA A 103 -9.727 22.661 -3.821 1.00 74.43 O ATOM 1571 CB ALA A 103 -6.975 23.370 -5.415 1.00 21.41 C ATOM 0 H ALA A 103 -7.987 24.150 -7.519 1.00 45.11 H new ATOM 0 HA ALA A 103 -8.502 21.958 -5.922 1.00 42.30 H new ATOM 0 HB1 ALA A 103 -6.727 22.888 -4.469 1.00 21.41 H new ATOM 0 HB2 ALA A 103 -6.301 23.011 -6.193 1.00 21.41 H new ATOM 0 HB3 ALA A 103 -6.867 24.450 -5.312 1.00 21.41 H new ATOM 1577 N ALA A 104 -9.768 24.728 -4.708 1.00 34.02 N ATOM 1578 CA ALA A 104 -10.682 25.260 -3.704 1.00 0.21 C ATOM 1579 C ALA A 104 -12.017 24.524 -3.732 1.00 4.41 C ATOM 1580 O ALA A 104 -12.528 24.105 -2.694 1.00 1.32 O ATOM 1581 CB ALA A 104 -10.894 26.751 -3.918 1.00 61.42 C ATOM 0 H ALA A 104 -9.476 25.405 -5.413 1.00 34.02 H new ATOM 0 HA ALA A 104 -10.233 25.106 -2.723 1.00 0.21 H new ATOM 0 HB1 ALA A 104 -11.579 27.134 -3.161 1.00 61.42 H new ATOM 0 HB2 ALA A 104 -9.939 27.269 -3.838 1.00 61.42 H new ATOM 0 HB3 ALA A 104 -11.317 26.920 -4.908 1.00 61.42 H new ATOM 1587 N ALA A 105 -12.578 24.372 -4.927 1.00 24.33 N ATOM 1588 CA ALA A 105 -13.854 23.686 -5.090 1.00 21.12 C ATOM 1589 C ALA A 105 -13.780 22.257 -4.561 1.00 13.44 C ATOM 1590 O ALA A 105 -14.754 21.737 -4.017 1.00 62.50 O ATOM 1591 CB ALA A 105 -14.271 23.687 -6.554 1.00 43.31 C ATOM 0 H ALA A 105 -12.169 24.715 -5.796 1.00 24.33 H new ATOM 0 HA ALA A 105 -14.604 24.223 -4.509 1.00 21.12 H new ATOM 0 HB1 ALA A 105 -15.225 23.171 -6.661 1.00 43.31 H new ATOM 0 HB2 ALA A 105 -14.373 24.715 -6.903 1.00 43.31 H new ATOM 0 HB3 ALA A 105 -13.514 23.176 -7.148 1.00 43.31 H new ATOM 1597 N ALA A 106 -12.621 21.630 -4.723 1.00 44.12 N ATOM 1598 CA ALA A 106 -12.420 20.262 -4.259 1.00 33.50 C ATOM 1599 C ALA A 106 -12.516 20.178 -2.741 1.00 1.52 C ATOM 1600 O ALA A 106 -13.191 19.303 -2.199 1.00 25.32 O ATOM 1601 CB ALA A 106 -11.075 19.735 -4.736 1.00 32.50 C ATOM 0 H ALA A 106 -11.806 22.047 -5.172 1.00 44.12 H new ATOM 0 HA ALA A 106 -13.210 19.641 -4.681 1.00 33.50 H new ATOM 0 HB1 ALA A 106 -10.938 18.713 -4.382 1.00 32.50 H new ATOM 0 HB2 ALA A 106 -11.044 19.749 -5.825 1.00 32.50 H new ATOM 0 HB3 ALA A 106 -10.277 20.365 -4.342 1.00 32.50 H new ATOM 1607 N GLU A 107 -11.835 21.092 -2.057 1.00 50.14 N ATOM 1608 CA GLU A 107 -11.842 21.119 -0.600 1.00 55.22 C ATOM 1609 C GLU A 107 -13.247 21.386 -0.067 1.00 61.43 C ATOM 1610 O GLU A 107 -13.759 20.637 0.763 1.00 15.32 O ATOM 1611 CB GLU A 107 -10.877 22.189 -0.083 1.00 2.53 C ATOM 1612 CG GLU A 107 -10.995 22.443 1.411 1.00 23.14 C ATOM 1613 CD GLU A 107 -11.534 23.825 1.726 1.00 10.35 C ATOM 1614 OE1 GLU A 107 -12.388 24.317 0.960 1.00 42.23 O ATOM 1615 OE2 GLU A 107 -11.103 24.414 2.740 1.00 65.01 O ATOM 0 H GLU A 107 -11.271 21.824 -2.489 1.00 50.14 H new ATOM 0 HA GLU A 107 -11.516 20.142 -0.243 1.00 55.22 H new ATOM 0 HB2 GLU A 107 -9.855 21.886 -0.312 1.00 2.53 H new ATOM 0 HB3 GLU A 107 -11.061 23.121 -0.617 1.00 2.53 H new ATOM 0 HG2 GLU A 107 -11.650 21.692 1.853 1.00 23.14 H new ATOM 0 HG3 GLU A 107 -10.016 22.324 1.875 1.00 23.14 H new ATOM 1622 N ASN A 108 -13.864 22.459 -0.552 1.00 63.51 N ATOM 1623 CA ASN A 108 -15.209 22.826 -0.126 1.00 3.35 C ATOM 1624 C ASN A 108 -16.197 21.698 -0.412 1.00 14.11 C ATOM 1625 O ASN A 108 -17.096 21.431 0.385 1.00 20.04 O ATOM 1626 CB ASN A 108 -15.660 24.105 -0.833 1.00 4.42 C ATOM 1627 CG ASN A 108 -16.234 25.126 0.131 1.00 33.33 C ATOM 1628 OD1 ASN A 108 -15.810 25.215 1.283 1.00 35.14 O ATOM 1629 ND2 ASN A 108 -17.204 25.902 -0.338 1.00 74.42 N ATOM 0 H ASN A 108 -13.453 23.090 -1.241 1.00 63.51 H new ATOM 0 HA ASN A 108 -15.187 23.002 0.949 1.00 3.35 H new ATOM 0 HB2 ASN A 108 -14.813 24.543 -1.361 1.00 4.42 H new ATOM 0 HB3 ASN A 108 -16.410 23.857 -1.584 1.00 4.42 H new ATOM 0 HD21 ASN A 108 -17.629 26.607 0.264 1.00 74.42 H new ATOM 0 HD22 ASN A 108 -17.524 25.793 -1.300 1.00 74.42 H new ATOM 1636 N MET A 109 -16.022 21.041 -1.553 1.00 31.12 N ATOM 1637 CA MET A 109 -16.897 19.941 -1.944 1.00 14.11 C ATOM 1638 C MET A 109 -16.666 18.723 -1.056 1.00 21.22 C ATOM 1639 O MET A 109 -17.617 18.108 -0.571 1.00 5.33 O ATOM 1640 CB MET A 109 -16.664 19.571 -3.409 1.00 43.12 C ATOM 1641 CG MET A 109 -17.384 18.304 -3.838 1.00 14.14 C ATOM 1642 SD MET A 109 -16.269 16.899 -4.025 1.00 50.43 S ATOM 1643 CE MET A 109 -17.091 15.985 -5.327 1.00 72.30 C ATOM 0 H MET A 109 -15.283 21.251 -2.224 1.00 31.12 H new ATOM 0 HA MET A 109 -17.929 20.269 -1.821 1.00 14.11 H new ATOM 0 HB2 MET A 109 -16.992 20.397 -4.040 1.00 43.12 H new ATOM 0 HB3 MET A 109 -15.594 19.446 -3.578 1.00 43.12 H new ATOM 0 HG2 MET A 109 -18.150 18.059 -3.102 1.00 14.14 H new ATOM 0 HG3 MET A 109 -17.896 18.484 -4.783 1.00 14.14 H new ATOM 0 HE1 MET A 109 -16.520 15.085 -5.556 1.00 72.30 H new ATOM 0 HE2 MET A 109 -18.092 15.706 -4.999 1.00 72.30 H new ATOM 0 HE3 MET A 109 -17.162 16.607 -6.219 1.00 72.30 H new ATOM 1653 N TYR A 110 -15.400 18.377 -0.849 1.00 15.12 N ATOM 1654 CA TYR A 110 -15.046 17.230 -0.022 1.00 74.42 C ATOM 1655 C TYR A 110 -15.721 17.314 1.344 1.00 71.12 C ATOM 1656 O TYR A 110 -16.195 16.311 1.876 1.00 43.21 O ATOM 1657 CB TYR A 110 -13.529 17.149 0.150 1.00 63.54 C ATOM 1658 CG TYR A 110 -13.020 15.743 0.379 1.00 14.12 C ATOM 1659 CD1 TYR A 110 -12.822 15.256 1.666 1.00 14.11 C ATOM 1660 CD2 TYR A 110 -12.736 14.903 -0.689 1.00 64.31 C ATOM 1661 CE1 TYR A 110 -12.357 13.973 1.880 1.00 15.13 C ATOM 1662 CE2 TYR A 110 -12.273 13.618 -0.484 1.00 44.20 C ATOM 1663 CZ TYR A 110 -12.084 13.158 0.802 1.00 34.23 C ATOM 1664 OH TYR A 110 -11.621 11.879 1.011 1.00 52.12 O ATOM 0 H TYR A 110 -14.602 18.875 -1.243 1.00 15.12 H new ATOM 0 HA TYR A 110 -15.397 16.329 -0.525 1.00 74.42 H new ATOM 0 HB2 TYR A 110 -13.049 17.560 -0.738 1.00 63.54 H new ATOM 0 HB3 TYR A 110 -13.233 17.775 0.992 1.00 63.54 H new ATOM 0 HD1 TYR A 110 -13.035 15.892 2.513 1.00 14.11 H new ATOM 0 HD2 TYR A 110 -12.880 15.261 -1.698 1.00 64.31 H new ATOM 0 HE1 TYR A 110 -12.208 13.610 2.886 1.00 15.13 H new ATOM 0 HE2 TYR A 110 -12.060 12.977 -1.327 1.00 44.20 H new ATOM 0 HH TYR A 110 -11.479 11.437 0.148 1.00 52.12 H new ATOM 1674 N SER A 111 -15.759 18.519 1.905 1.00 24.51 N ATOM 1675 CA SER A 111 -16.372 18.734 3.210 1.00 33.20 C ATOM 1676 C SER A 111 -17.880 18.929 3.077 1.00 24.53 C ATOM 1677 O SER A 111 -18.646 18.540 3.958 1.00 62.44 O ATOM 1678 CB SER A 111 -15.749 19.952 3.894 1.00 55.10 C ATOM 1679 OG SER A 111 -16.597 21.083 3.794 1.00 1.11 O ATOM 0 H SER A 111 -15.373 19.360 1.476 1.00 24.51 H new ATOM 0 HA SER A 111 -16.190 17.849 3.820 1.00 33.20 H new ATOM 0 HB2 SER A 111 -15.561 19.727 4.944 1.00 55.10 H new ATOM 0 HB3 SER A 111 -14.785 20.175 3.438 1.00 55.10 H new ATOM 0 HG SER A 111 -16.177 21.847 4.240 1.00 1.11 H new ATOM 1685 N GLN A 112 -18.297 19.531 1.968 1.00 72.32 N ATOM 1686 CA GLN A 112 -19.712 19.777 1.719 1.00 15.11 C ATOM 1687 C GLN A 112 -20.469 18.466 1.539 1.00 32.25 C ATOM 1688 O GLN A 112 -21.644 18.362 1.892 1.00 11.42 O ATOM 1689 CB GLN A 112 -19.889 20.657 0.480 1.00 65.53 C ATOM 1690 CG GLN A 112 -19.879 22.146 0.784 1.00 72.44 C ATOM 1691 CD GLN A 112 -21.272 22.709 0.985 1.00 12.54 C ATOM 1692 OE1 GLN A 112 -22.035 22.866 0.031 1.00 51.43 O ATOM 1693 NE2 GLN A 112 -21.612 23.017 2.231 1.00 1.05 N ATOM 0 H GLN A 112 -17.675 19.857 1.228 1.00 72.32 H new ATOM 0 HA GLN A 112 -20.122 20.296 2.585 1.00 15.11 H new ATOM 0 HB2 GLN A 112 -19.093 20.434 -0.230 1.00 65.53 H new ATOM 0 HB3 GLN A 112 -20.830 20.400 -0.006 1.00 65.53 H new ATOM 0 HG2 GLN A 112 -19.285 22.326 1.680 1.00 72.44 H new ATOM 0 HG3 GLN A 112 -19.391 22.677 -0.033 1.00 72.44 H new ATOM 0 HE21 GLN A 112 -20.948 22.871 2.992 1.00 1.05 H new ATOM 0 HE22 GLN A 112 -22.537 23.400 2.427 1.00 1.05 H new ATOM 1702 N MET A 113 -19.790 17.467 0.986 1.00 65.35 N ATOM 1703 CA MET A 113 -20.399 16.162 0.759 1.00 44.31 C ATOM 1704 C MET A 113 -20.406 15.335 2.042 1.00 73.43 C ATOM 1705 O MET A 113 -20.948 14.232 2.077 1.00 65.33 O ATOM 1706 CB MET A 113 -19.649 15.410 -0.342 1.00 21.51 C ATOM 1707 CG MET A 113 -20.456 15.238 -1.619 1.00 5.43 C ATOM 1708 SD MET A 113 -20.415 13.546 -2.244 1.00 0.12 S ATOM 1709 CE MET A 113 -18.690 13.397 -2.701 1.00 24.34 C ATOM 0 H MET A 113 -18.817 17.536 0.687 1.00 65.35 H new ATOM 0 HA MET A 113 -21.430 16.320 0.443 1.00 44.31 H new ATOM 0 HB2 MET A 113 -18.728 15.945 -0.573 1.00 21.51 H new ATOM 0 HB3 MET A 113 -19.362 14.427 0.032 1.00 21.51 H new ATOM 0 HG2 MET A 113 -21.490 15.527 -1.432 1.00 5.43 H new ATOM 0 HG3 MET A 113 -20.069 15.913 -2.383 1.00 5.43 H new ATOM 0 HE1 MET A 113 -18.611 13.234 -3.776 1.00 24.34 H new ATOM 0 HE2 MET A 113 -18.162 14.312 -2.433 1.00 24.34 H new ATOM 0 HE3 MET A 113 -18.245 12.554 -2.173 1.00 24.34 H new ATOM 1719 N GLY A 114 -19.801 15.878 3.094 1.00 71.15 N ATOM 1720 CA GLY A 114 -19.749 15.176 4.363 1.00 12.41 C ATOM 1721 C GLY A 114 -18.620 14.166 4.422 1.00 71.14 C ATOM 1722 O GLY A 114 -18.640 13.250 5.244 1.00 62.43 O ATOM 0 H GLY A 114 -19.346 16.791 3.090 1.00 71.15 H new ATOM 0 HA2 GLY A 114 -19.628 15.899 5.170 1.00 12.41 H new ATOM 0 HA3 GLY A 114 -20.698 14.666 4.532 1.00 12.41 H new ATOM 1726 N LEU A 115 -17.634 14.332 3.547 1.00 61.33 N ATOM 1727 CA LEU A 115 -16.492 13.426 3.502 1.00 62.34 C ATOM 1728 C LEU A 115 -15.438 13.826 4.530 1.00 3.14 C ATOM 1729 O LEU A 115 -14.991 13.000 5.327 1.00 14.12 O ATOM 1730 CB LEU A 115 -15.876 13.421 2.101 1.00 24.44 C ATOM 1731 CG LEU A 115 -16.859 13.536 0.935 1.00 53.32 C ATOM 1732 CD1 LEU A 115 -16.114 13.769 -0.370 1.00 64.40 C ATOM 1733 CD2 LEU A 115 -17.725 12.288 0.842 1.00 14.43 C ATOM 0 H LEU A 115 -17.603 15.085 2.860 1.00 61.33 H new ATOM 0 HA LEU A 115 -16.846 12.423 3.742 1.00 62.34 H new ATOM 0 HB2 LEU A 115 -15.167 14.246 2.035 1.00 24.44 H new ATOM 0 HB3 LEU A 115 -15.306 12.500 1.980 1.00 24.44 H new ATOM 0 HG LEU A 115 -17.509 14.392 1.116 1.00 53.32 H new ATOM 0 HD11 LEU A 115 -16.830 13.848 -1.188 1.00 64.40 H new ATOM 0 HD12 LEU A 115 -15.538 14.692 -0.301 1.00 64.40 H new ATOM 0 HD13 LEU A 115 -15.439 12.934 -0.558 1.00 64.40 H new ATOM 0 HD21 LEU A 115 -18.418 12.388 0.007 1.00 14.43 H new ATOM 0 HD22 LEU A 115 -17.091 11.416 0.685 1.00 14.43 H new ATOM 0 HD23 LEU A 115 -18.287 12.166 1.768 1.00 14.43 H new ATOM 1745 N ASP A 116 -15.049 15.096 4.508 1.00 24.00 N ATOM 1746 CA ASP A 116 -14.051 15.605 5.441 1.00 11.40 C ATOM 1747 C ASP A 116 -14.563 15.534 6.877 1.00 45.13 C ATOM 1748 O ASP A 116 -14.135 14.684 7.659 1.00 11.24 O ATOM 1749 CB ASP A 116 -13.683 17.047 5.089 1.00 45.34 C ATOM 1750 CG ASP A 116 -12.806 17.694 6.143 1.00 51.44 C ATOM 1751 OD1 ASP A 116 -13.187 18.766 6.657 1.00 13.42 O ATOM 1752 OD2 ASP A 116 -11.737 17.128 6.455 1.00 53.21 O ATOM 0 H ASP A 116 -15.409 15.791 3.855 1.00 24.00 H new ATOM 0 HA ASP A 116 -13.161 14.980 5.360 1.00 11.40 H new ATOM 0 HB2 ASP A 116 -13.165 17.063 4.130 1.00 45.34 H new ATOM 0 HB3 ASP A 116 -14.594 17.633 4.969 1.00 45.34 H new ATOM 1757 N THR A 117 -15.480 16.433 7.218 1.00 35.40 N ATOM 1758 CA THR A 117 -16.049 16.475 8.559 1.00 25.11 C ATOM 1759 C THR A 117 -17.524 16.089 8.544 1.00 75.25 C ATOM 1760 O THR A 117 -18.156 16.061 7.487 1.00 13.25 O ATOM 1761 CB THR A 117 -15.902 17.872 9.189 1.00 12.34 C ATOM 1762 OG1 THR A 117 -16.313 17.837 10.560 1.00 1.11 O ATOM 1763 CG2 THR A 117 -16.733 18.898 8.431 1.00 4.22 C ATOM 0 H THR A 117 -15.845 17.143 6.583 1.00 35.40 H new ATOM 0 HA THR A 117 -15.494 15.754 9.159 1.00 25.11 H new ATOM 0 HB THR A 117 -14.853 18.163 9.132 1.00 12.34 H new ATOM 0 HG1 THR A 117 -16.215 18.729 10.954 1.00 1.11 H new ATOM 0 HG21 THR A 117 -16.613 19.877 8.894 1.00 4.22 H new ATOM 0 HG22 THR A 117 -16.398 18.944 7.395 1.00 4.22 H new ATOM 0 HG23 THR A 117 -17.784 18.609 8.460 1.00 4.22 H new ATOM 1771 N ARG A 118 -18.067 15.794 9.721 1.00 64.43 N ATOM 1772 CA ARG A 118 -19.467 15.409 9.841 1.00 51.13 C ATOM 1773 C ARG A 118 -19.803 14.269 8.884 1.00 43.51 C ATOM 1774 O ARG A 118 -20.485 14.452 7.876 1.00 72.11 O ATOM 1775 CB ARG A 118 -20.374 16.609 9.558 1.00 43.21 C ATOM 1776 CG ARG A 118 -20.111 17.798 10.469 1.00 71.14 C ATOM 1777 CD ARG A 118 -21.385 18.581 10.744 1.00 30.20 C ATOM 1778 NE ARG A 118 -21.818 19.350 9.579 1.00 25.43 N ATOM 1779 CZ ARG A 118 -21.283 20.513 9.227 1.00 22.11 C ATOM 1780 NH1 ARG A 118 -20.301 21.039 9.945 1.00 52.32 N ATOM 1781 NH2 ARG A 118 -21.731 21.153 8.154 1.00 4.21 N ATOM 0 H ARG A 118 -17.558 15.814 10.605 1.00 64.43 H new ATOM 0 HA ARG A 118 -19.636 15.065 10.862 1.00 51.13 H new ATOM 0 HB2 ARG A 118 -20.240 16.919 8.522 1.00 43.21 H new ATOM 0 HB3 ARG A 118 -21.414 16.302 9.667 1.00 43.21 H new ATOM 0 HG2 ARG A 118 -19.686 17.450 11.410 1.00 71.14 H new ATOM 0 HG3 ARG A 118 -19.372 18.454 10.009 1.00 71.14 H new ATOM 0 HD2 ARG A 118 -22.177 17.893 11.039 1.00 30.20 H new ATOM 0 HD3 ARG A 118 -21.221 19.256 11.584 1.00 30.20 H new ATOM 0 HE ARG A 118 -22.572 18.973 9.005 1.00 25.43 H new ATOM 0 HH11 ARG A 118 -19.954 20.550 10.770 1.00 52.32 H new ATOM 0 HH12 ARG A 118 -19.892 21.933 9.672 1.00 52.32 H new ATOM 0 HH21 ARG A 118 -22.487 20.751 7.599 1.00 4.21 H new ATOM 0 HH22 ARG A 118 -21.319 22.046 7.884 1.00 4.21 H new ATOM 1795 N PRO A 119 -19.312 13.062 9.206 1.00 52.23 N ATOM 1796 CA PRO A 119 -19.546 11.869 8.388 1.00 22.34 C ATOM 1797 C PRO A 119 -20.998 11.402 8.445 1.00 41.55 C ATOM 1798 O PRO A 119 -21.659 11.273 7.415 1.00 3.41 O ATOM 1799 CB PRO A 119 -18.623 10.821 9.016 1.00 54.14 C ATOM 1800 CG PRO A 119 -18.447 11.269 10.426 1.00 3.11 C ATOM 1801 CD PRO A 119 -18.491 12.771 10.392 1.00 3.42 C ATOM 0 HA PRO A 119 -19.348 12.054 7.332 1.00 22.34 H new ATOM 0 HB2 PRO A 119 -19.064 9.825 8.969 1.00 54.14 H new ATOM 0 HB3 PRO A 119 -17.667 10.771 8.494 1.00 54.14 H new ATOM 0 HG2 PRO A 119 -19.236 10.870 11.064 1.00 3.11 H new ATOM 0 HG3 PRO A 119 -17.499 10.916 10.832 1.00 3.11 H new ATOM 0 HD2 PRO A 119 -18.936 13.180 11.299 1.00 3.42 H new ATOM 0 HD3 PRO A 119 -17.493 13.200 10.305 1.00 3.42 H new TER 1809 PRO A 119