USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 823 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 68 GLN : amide:sc= -2.07 X(o=-2.4,f=-2.3) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -118:sc= -0.282 (180deg=-2.34!) USER MOD Set 2.1: A 56 THR OG1 : rot -93:sc= 0.412 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= 0.834 F(o=-0.19,f=1.2) USER MOD Set 3.1: A 18 ASN : amide:sc= 0.0015 X(o=0.49,f=0.2) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -122:sc= 0.488 (180deg=-0.206) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0359 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 62:sc= 0.43 USER MOD Single : A 17 SER OG : rot 180:sc= 0.052 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.11 X(o=-3.1,f=-3) USER MOD Single : A 45 SER OG : rot 73:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot 54:sc= 1.22 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00897) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.596 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 70:sc= 0.763 USER MOD Single : A 97 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.73) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0891 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 109 MET CE :methyl 136:sc= -0.354 (180deg=-3.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 111 SER OG : rot -83:sc= 0.329 USER MOD Single : A 112 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.31) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 5.571 1.594 -3.118 1.00 54.01 N ATOM 23 CA LEU A 4 5.126 0.205 -3.143 1.00 51.04 C ATOM 24 C LEU A 4 6.115 -0.672 -3.904 1.00 11.32 C ATOM 25 O LEU A 4 7.130 -0.188 -4.407 1.00 40.21 O ATOM 26 CB LEU A 4 3.740 0.104 -3.784 1.00 20.43 C ATOM 27 CG LEU A 4 2.555 0.440 -2.878 1.00 11.25 C ATOM 28 CD1 LEU A 4 2.531 -0.480 -1.667 1.00 51.21 C ATOM 29 CD2 LEU A 4 2.614 1.897 -2.440 1.00 65.44 C ATOM 0 HA LEU A 4 5.071 -0.151 -2.114 1.00 51.04 H new ATOM 0 HB2 LEU A 4 3.712 0.769 -4.647 1.00 20.43 H new ATOM 0 HB3 LEU A 4 3.608 -0.911 -4.159 1.00 20.43 H new ATOM 0 HG LEU A 4 1.636 0.288 -3.444 1.00 11.25 H new ATOM 0 HD11 LEU A 4 1.681 -0.226 -1.034 1.00 51.21 H new ATOM 0 HD12 LEU A 4 2.441 -1.515 -1.998 1.00 51.21 H new ATOM 0 HD13 LEU A 4 3.454 -0.360 -1.100 1.00 51.21 H new ATOM 0 HD21 LEU A 4 1.763 2.118 -1.796 1.00 65.44 H new ATOM 0 HD22 LEU A 4 3.539 2.075 -1.892 1.00 65.44 H new ATOM 0 HD23 LEU A 4 2.582 2.542 -3.318 1.00 65.44 H new ATOM 41 N LYS A 5 5.812 -1.963 -3.987 1.00 0.13 N ATOM 42 CA LYS A 5 6.672 -2.907 -4.689 1.00 70.54 C ATOM 43 C LYS A 5 6.990 -2.411 -6.096 1.00 44.15 C ATOM 44 O LYS A 5 6.156 -2.498 -6.998 1.00 72.51 O ATOM 45 CB LYS A 5 6.004 -4.281 -4.760 1.00 72.43 C ATOM 46 CG LYS A 5 6.779 -5.373 -4.043 1.00 35.32 C ATOM 47 CD LYS A 5 5.859 -6.473 -3.540 1.00 44.14 C ATOM 48 CE LYS A 5 6.637 -7.730 -3.181 1.00 62.23 C ATOM 49 NZ LYS A 5 5.766 -8.937 -3.174 1.00 55.11 N ATOM 0 H LYS A 5 4.976 -2.379 -3.576 1.00 0.13 H new ATOM 0 HA LYS A 5 7.606 -2.992 -4.133 1.00 70.54 H new ATOM 0 HB2 LYS A 5 5.005 -4.213 -4.328 1.00 72.43 H new ATOM 0 HB3 LYS A 5 5.881 -4.562 -5.806 1.00 72.43 H new ATOM 0 HG2 LYS A 5 7.520 -5.799 -4.720 1.00 35.32 H new ATOM 0 HG3 LYS A 5 7.324 -4.942 -3.204 1.00 35.32 H new ATOM 0 HD2 LYS A 5 5.312 -6.120 -2.666 1.00 44.14 H new ATOM 0 HD3 LYS A 5 5.119 -6.708 -4.305 1.00 44.14 H new ATOM 0 HE2 LYS A 5 7.448 -7.872 -3.895 1.00 62.23 H new ATOM 0 HE3 LYS A 5 7.094 -7.606 -2.199 1.00 62.23 H new ATOM 0 HZ1 LYS A 5 6.333 -9.773 -2.925 1.00 55.11 H new ATOM 0 HZ2 LYS A 5 5.006 -8.813 -2.475 1.00 55.11 H new ATOM 0 HZ3 LYS A 5 5.349 -9.070 -4.118 1.00 55.11 H new ATOM 63 N SER A 6 8.200 -1.892 -6.277 1.00 73.43 N ATOM 64 CA SER A 6 8.627 -1.381 -7.574 1.00 10.30 C ATOM 65 C SER A 6 8.449 -2.437 -8.660 1.00 63.15 C ATOM 66 O SER A 6 8.055 -2.127 -9.785 1.00 21.10 O ATOM 67 CB SER A 6 10.089 -0.935 -7.514 1.00 63.31 C ATOM 68 OG SER A 6 10.961 -1.995 -7.869 1.00 52.33 O ATOM 0 H SER A 6 8.902 -1.814 -5.541 1.00 73.43 H new ATOM 0 HA SER A 6 8.003 -0.522 -7.822 1.00 10.30 H new ATOM 0 HB2 SER A 6 10.243 -0.092 -8.188 1.00 63.31 H new ATOM 0 HB3 SER A 6 10.325 -0.587 -6.508 1.00 63.31 H new ATOM 0 HG SER A 6 11.889 -1.684 -7.824 1.00 52.33 H new ATOM 74 N ARG A 7 8.742 -3.687 -8.315 1.00 23.33 N ATOM 75 CA ARG A 7 8.617 -4.789 -9.260 1.00 53.02 C ATOM 76 C ARG A 7 7.156 -5.018 -9.639 1.00 24.43 C ATOM 77 O ARG A 7 6.795 -4.967 -10.814 1.00 4.31 O ATOM 78 CB ARG A 7 9.206 -6.069 -8.663 1.00 71.12 C ATOM 79 CG ARG A 7 9.518 -7.137 -9.699 1.00 3.11 C ATOM 80 CD ARG A 7 8.874 -8.467 -9.340 1.00 70.20 C ATOM 81 NE ARG A 7 9.565 -9.129 -8.236 1.00 22.12 N ATOM 82 CZ ARG A 7 9.180 -10.290 -7.720 1.00 14.53 C ATOM 83 NH1 ARG A 7 8.116 -10.915 -8.204 1.00 64.32 N ATOM 84 NH2 ARG A 7 9.860 -10.828 -6.715 1.00 74.25 N ATOM 0 H ARG A 7 9.067 -3.961 -7.388 1.00 23.33 H new ATOM 0 HA ARG A 7 9.171 -4.527 -10.161 1.00 53.02 H new ATOM 0 HB2 ARG A 7 10.120 -5.821 -8.123 1.00 71.12 H new ATOM 0 HB3 ARG A 7 8.505 -6.476 -7.934 1.00 71.12 H new ATOM 0 HG2 ARG A 7 9.163 -6.812 -10.677 1.00 3.11 H new ATOM 0 HG3 ARG A 7 10.598 -7.264 -9.778 1.00 3.11 H new ATOM 0 HD2 ARG A 7 7.831 -8.303 -9.069 1.00 70.20 H new ATOM 0 HD3 ARG A 7 8.878 -9.119 -10.213 1.00 70.20 H new ATOM 0 HE ARG A 7 10.388 -8.674 -7.840 1.00 22.12 H new ATOM 0 HH11 ARG A 7 7.590 -10.504 -8.975 1.00 64.32 H new ATOM 0 HH12 ARG A 7 7.823 -11.807 -7.805 1.00 64.32 H new ATOM 0 HH21 ARG A 7 10.679 -10.349 -6.339 1.00 74.25 H new ATOM 0 HH22 ARG A 7 9.564 -11.720 -6.319 1.00 74.25 H new ATOM 98 N ASP A 8 6.323 -5.269 -8.635 1.00 25.20 N ATOM 99 CA ASP A 8 4.902 -5.504 -8.863 1.00 72.10 C ATOM 100 C ASP A 8 4.275 -4.345 -9.631 1.00 61.41 C ATOM 101 O ASP A 8 3.545 -4.552 -10.600 1.00 21.01 O ATOM 102 CB ASP A 8 4.176 -5.701 -7.531 1.00 50.22 C ATOM 103 CG ASP A 8 2.961 -6.599 -7.661 1.00 34.15 C ATOM 104 OD1 ASP A 8 3.111 -7.827 -7.490 1.00 73.11 O ATOM 105 OD2 ASP A 8 1.862 -6.074 -7.932 1.00 33.24 O ATOM 0 H ASP A 8 6.607 -5.315 -7.656 1.00 25.20 H new ATOM 0 HA ASP A 8 4.801 -6.409 -9.461 1.00 72.10 H new ATOM 0 HB2 ASP A 8 4.866 -6.131 -6.805 1.00 50.22 H new ATOM 0 HB3 ASP A 8 3.867 -4.731 -7.142 1.00 50.22 H new ATOM 110 N TRP A 9 4.565 -3.125 -9.192 1.00 73.41 N ATOM 111 CA TRP A 9 4.029 -1.933 -9.838 1.00 23.04 C ATOM 112 C TRP A 9 4.578 -1.787 -11.253 1.00 12.42 C ATOM 113 O TRP A 9 3.862 -1.380 -12.168 1.00 23.01 O ATOM 114 CB TRP A 9 4.367 -0.687 -9.016 1.00 54.44 C ATOM 115 CG TRP A 9 3.218 -0.193 -8.189 1.00 32.32 C ATOM 116 CD1 TRP A 9 3.014 -0.413 -6.857 1.00 12.25 C ATOM 117 CD2 TRP A 9 2.116 0.602 -8.640 1.00 23.32 C ATOM 118 NE1 TRP A 9 1.852 0.197 -6.452 1.00 11.32 N ATOM 119 CE2 TRP A 9 1.283 0.828 -7.527 1.00 51.13 C ATOM 120 CE3 TRP A 9 1.755 1.147 -9.875 1.00 13.41 C ATOM 121 CZ2 TRP A 9 0.110 1.574 -7.616 1.00 35.25 C ATOM 122 CZ3 TRP A 9 0.590 1.887 -9.960 1.00 42.05 C ATOM 123 CH2 TRP A 9 -0.220 2.095 -8.836 1.00 13.14 C ATOM 0 H TRP A 9 5.168 -2.936 -8.392 1.00 73.41 H new ATOM 0 HA TRP A 9 2.946 -2.038 -9.898 1.00 23.04 H new ATOM 0 HB2 TRP A 9 5.208 -0.910 -8.360 1.00 54.44 H new ATOM 0 HB3 TRP A 9 4.689 0.107 -9.689 1.00 54.44 H new ATOM 0 HD1 TRP A 9 3.670 -0.983 -6.216 1.00 12.25 H new ATOM 0 HE1 TRP A 9 1.474 0.183 -5.505 1.00 11.32 H new ATOM 0 HE3 TRP A 9 2.374 0.993 -10.746 1.00 13.41 H new ATOM 0 HZ2 TRP A 9 -0.517 1.735 -6.751 1.00 35.25 H new ATOM 0 HZ3 TRP A 9 0.299 2.312 -10.909 1.00 42.05 H new ATOM 0 HH2 TRP A 9 -1.123 2.679 -8.935 1.00 13.14 H new ATOM 134 N LYS A 10 5.851 -2.122 -11.427 1.00 75.14 N ATOM 135 CA LYS A 10 6.496 -2.031 -12.731 1.00 1.11 C ATOM 136 C LYS A 10 5.725 -2.830 -13.777 1.00 12.54 C ATOM 137 O LYS A 10 5.521 -2.366 -14.899 1.00 54.33 O ATOM 138 CB LYS A 10 7.937 -2.539 -12.647 1.00 65.14 C ATOM 139 CG LYS A 10 8.624 -2.646 -13.998 1.00 11.23 C ATOM 140 CD LYS A 10 10.104 -2.955 -13.848 1.00 33.22 C ATOM 141 CE LYS A 10 10.826 -2.885 -15.184 1.00 43.04 C ATOM 142 NZ LYS A 10 11.696 -4.073 -15.407 1.00 65.02 N ATOM 0 H LYS A 10 6.458 -2.460 -10.680 1.00 75.14 H new ATOM 0 HA LYS A 10 6.503 -0.983 -13.032 1.00 1.11 H new ATOM 0 HB2 LYS A 10 8.513 -1.869 -12.008 1.00 65.14 H new ATOM 0 HB3 LYS A 10 7.941 -3.518 -12.168 1.00 65.14 H new ATOM 0 HG2 LYS A 10 8.146 -3.427 -14.589 1.00 11.23 H new ATOM 0 HG3 LYS A 10 8.500 -1.711 -14.545 1.00 11.23 H new ATOM 0 HD2 LYS A 10 10.556 -2.248 -13.152 1.00 33.22 H new ATOM 0 HD3 LYS A 10 10.227 -3.949 -13.418 1.00 33.22 H new ATOM 0 HE2 LYS A 10 10.094 -2.814 -15.989 1.00 43.04 H new ATOM 0 HE3 LYS A 10 11.431 -1.979 -15.223 1.00 43.04 H new ATOM 0 HZ1 LYS A 10 12.171 -3.988 -16.328 1.00 65.02 H new ATOM 0 HZ2 LYS A 10 12.410 -4.127 -14.653 1.00 65.02 H new ATOM 0 HZ3 LYS A 10 11.115 -4.936 -15.395 1.00 65.02 H new ATOM 156 N MET A 11 5.298 -4.030 -13.401 1.00 72.24 N ATOM 157 CA MET A 11 4.546 -4.892 -14.307 1.00 20.33 C ATOM 158 C MET A 11 3.157 -4.320 -14.574 1.00 24.32 C ATOM 159 O MET A 11 2.702 -4.281 -15.717 1.00 12.21 O ATOM 160 CB MET A 11 4.426 -6.301 -13.722 1.00 42.45 C ATOM 161 CG MET A 11 5.513 -7.251 -14.196 1.00 45.11 C ATOM 162 SD MET A 11 5.031 -8.181 -15.664 1.00 61.13 S ATOM 163 CE MET A 11 4.815 -9.818 -14.970 1.00 72.02 C ATOM 0 H MET A 11 5.459 -4.428 -12.476 1.00 72.24 H new ATOM 0 HA MET A 11 5.086 -4.943 -15.252 1.00 20.33 H new ATOM 0 HB2 MET A 11 4.459 -6.238 -12.634 1.00 42.45 H new ATOM 0 HB3 MET A 11 3.453 -6.714 -13.988 1.00 42.45 H new ATOM 0 HG2 MET A 11 6.418 -6.683 -14.411 1.00 45.11 H new ATOM 0 HG3 MET A 11 5.757 -7.947 -13.394 1.00 45.11 H new ATOM 0 HE1 MET A 11 4.515 -10.510 -15.757 1.00 72.02 H new ATOM 0 HE2 MET A 11 5.754 -10.153 -14.530 1.00 72.02 H new ATOM 0 HE3 MET A 11 4.044 -9.788 -14.200 1.00 72.02 H new ATOM 173 N ALA A 12 2.491 -3.876 -13.514 1.00 41.13 N ATOM 174 CA ALA A 12 1.155 -3.305 -13.635 1.00 43.01 C ATOM 175 C ALA A 12 1.164 -2.077 -14.540 1.00 72.20 C ATOM 176 O ALA A 12 0.315 -1.939 -15.422 1.00 24.33 O ATOM 177 CB ALA A 12 0.608 -2.947 -12.262 1.00 52.51 C ATOM 0 H ALA A 12 2.854 -3.901 -12.561 1.00 41.13 H new ATOM 0 HA ALA A 12 0.506 -4.054 -14.088 1.00 43.01 H new ATOM 0 HB1 ALA A 12 -0.390 -2.522 -12.368 1.00 52.51 H new ATOM 0 HB2 ALA A 12 0.557 -3.844 -11.645 1.00 52.51 H new ATOM 0 HB3 ALA A 12 1.265 -2.218 -11.787 1.00 52.51 H new ATOM 183 N ILE A 13 2.126 -1.189 -14.316 1.00 33.33 N ATOM 184 CA ILE A 13 2.244 0.026 -15.111 1.00 63.21 C ATOM 185 C ILE A 13 2.421 -0.300 -16.590 1.00 52.13 C ATOM 186 O ILE A 13 1.720 0.242 -17.446 1.00 13.04 O ATOM 187 CB ILE A 13 3.429 0.892 -14.643 1.00 1.44 C ATOM 188 CG1 ILE A 13 3.247 1.294 -13.178 1.00 0.14 C ATOM 189 CG2 ILE A 13 3.564 2.125 -15.524 1.00 14.55 C ATOM 190 CD1 ILE A 13 4.551 1.424 -12.422 1.00 13.35 C ATOM 0 H ILE A 13 2.835 -1.288 -13.590 1.00 33.33 H new ATOM 0 HA ILE A 13 1.318 0.585 -14.972 1.00 63.21 H new ATOM 0 HB ILE A 13 4.345 0.307 -14.728 1.00 1.44 H new ATOM 0 HG12 ILE A 13 2.714 2.244 -13.134 1.00 0.14 H new ATOM 0 HG13 ILE A 13 2.620 0.553 -12.681 1.00 0.14 H new ATOM 0 HG21 ILE A 13 4.405 2.727 -15.181 1.00 14.55 H new ATOM 0 HG22 ILE A 13 3.734 1.818 -16.556 1.00 14.55 H new ATOM 0 HG23 ILE A 13 2.649 2.715 -15.467 1.00 14.55 H new ATOM 0 HD11 ILE A 13 4.347 1.711 -11.391 1.00 13.35 H new ATOM 0 HD12 ILE A 13 5.076 0.469 -12.435 1.00 13.35 H new ATOM 0 HD13 ILE A 13 5.171 2.186 -12.895 1.00 13.35 H new ATOM 202 N LYS A 14 3.362 -1.191 -16.886 1.00 75.00 N ATOM 203 CA LYS A 14 3.630 -1.594 -18.261 1.00 42.54 C ATOM 204 C LYS A 14 2.352 -2.064 -18.949 1.00 4.14 C ATOM 205 O LYS A 14 2.106 -1.740 -20.111 1.00 22.43 O ATOM 206 CB LYS A 14 4.679 -2.708 -18.293 1.00 5.53 C ATOM 207 CG LYS A 14 5.551 -2.686 -19.536 1.00 60.12 C ATOM 208 CD LYS A 14 6.717 -1.725 -19.383 1.00 34.44 C ATOM 209 CE LYS A 14 7.788 -1.974 -20.434 1.00 12.40 C ATOM 210 NZ LYS A 14 7.454 -1.320 -21.729 1.00 63.14 N ATOM 0 H LYS A 14 3.952 -1.648 -16.191 1.00 75.00 H new ATOM 0 HA LYS A 14 4.014 -0.727 -18.799 1.00 42.54 H new ATOM 0 HB2 LYS A 14 5.315 -2.622 -17.412 1.00 5.53 H new ATOM 0 HB3 LYS A 14 4.175 -3.672 -18.230 1.00 5.53 H new ATOM 0 HG2 LYS A 14 5.929 -3.689 -19.734 1.00 60.12 H new ATOM 0 HG3 LYS A 14 4.950 -2.396 -20.398 1.00 60.12 H new ATOM 0 HD2 LYS A 14 6.357 -0.699 -19.465 1.00 34.44 H new ATOM 0 HD3 LYS A 14 7.150 -1.833 -18.389 1.00 34.44 H new ATOM 0 HE2 LYS A 14 8.746 -1.598 -20.073 1.00 12.40 H new ATOM 0 HE3 LYS A 14 7.904 -3.047 -20.588 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 8.207 -1.512 -22.420 1.00 63.14 H new ATOM 0 HZ2 LYS A 14 6.553 -1.697 -22.086 1.00 63.14 H new ATOM 0 HZ3 LYS A 14 7.368 -0.293 -21.587 1.00 63.14 H new ATOM 224 N ARG A 15 1.542 -2.827 -18.224 1.00 45.23 N ATOM 225 CA ARG A 15 0.289 -3.341 -18.765 1.00 50.12 C ATOM 226 C ARG A 15 -0.640 -2.199 -19.165 1.00 51.44 C ATOM 227 O ARG A 15 -1.223 -2.210 -20.250 1.00 22.53 O ATOM 228 CB ARG A 15 -0.403 -4.241 -17.740 1.00 2.30 C ATOM 229 CG ARG A 15 -0.520 -5.691 -18.182 1.00 42.11 C ATOM 230 CD ARG A 15 0.578 -6.549 -17.574 1.00 54.00 C ATOM 231 NE ARG A 15 0.953 -7.658 -18.447 1.00 11.00 N ATOM 232 CZ ARG A 15 0.234 -8.767 -18.577 1.00 51.34 C ATOM 233 NH1 ARG A 15 -0.893 -8.914 -17.893 1.00 62.32 N ATOM 234 NH2 ARG A 15 0.641 -9.732 -19.392 1.00 40.02 N ATOM 0 H ARG A 15 1.730 -3.103 -17.260 1.00 45.23 H new ATOM 0 HA ARG A 15 0.520 -3.927 -19.655 1.00 50.12 H new ATOM 0 HB2 ARG A 15 0.150 -4.200 -16.801 1.00 2.30 H new ATOM 0 HB3 ARG A 15 -1.400 -3.849 -17.540 1.00 2.30 H new ATOM 0 HG2 ARG A 15 -1.494 -6.084 -17.890 1.00 42.11 H new ATOM 0 HG3 ARG A 15 -0.467 -5.747 -19.269 1.00 42.11 H new ATOM 0 HD2 ARG A 15 1.454 -5.931 -17.377 1.00 54.00 H new ATOM 0 HD3 ARG A 15 0.242 -6.941 -16.614 1.00 54.00 H new ATOM 0 HE ARG A 15 1.815 -7.576 -18.987 1.00 11.00 H new ATOM 0 HH11 ARG A 15 -1.209 -8.174 -17.266 1.00 62.32 H new ATOM 0 HH12 ARG A 15 -1.444 -9.767 -17.994 1.00 62.32 H new ATOM 0 HH21 ARG A 15 1.507 -9.623 -19.920 1.00 40.02 H new ATOM 0 HH22 ARG A 15 0.088 -10.583 -19.491 1.00 40.02 H new ATOM 248 N CYS A 16 -0.774 -1.215 -18.281 1.00 72.15 N ATOM 249 CA CYS A 16 -1.633 -0.066 -18.541 1.00 10.41 C ATOM 250 C CYS A 16 -1.211 0.651 -19.820 1.00 61.10 C ATOM 251 O CYS A 16 -2.051 1.132 -20.580 1.00 51.10 O ATOM 252 CB CYS A 16 -1.592 0.905 -17.361 1.00 13.51 C ATOM 253 SG CYS A 16 -1.957 0.140 -15.763 1.00 33.20 S ATOM 0 H CYS A 16 -0.299 -1.191 -17.379 1.00 72.15 H new ATOM 0 HA CYS A 16 -2.653 -0.428 -18.669 1.00 10.41 H new ATOM 0 HB2 CYS A 16 -0.604 1.363 -17.315 1.00 13.51 H new ATOM 0 HB3 CYS A 16 -2.308 1.708 -17.540 1.00 13.51 H new ATOM 0 HG CYS A 16 -1.062 -0.766 -15.501 1.00 33.20 H new ATOM 259 N SER A 17 0.096 0.718 -20.049 1.00 24.53 N ATOM 260 CA SER A 17 0.631 1.382 -21.234 1.00 13.24 C ATOM 261 C SER A 17 -0.033 0.851 -22.500 1.00 52.14 C ATOM 262 O SER A 17 -0.172 1.569 -23.489 1.00 72.01 O ATOM 263 CB SER A 17 2.146 1.182 -21.315 1.00 44.42 C ATOM 264 OG SER A 17 2.731 1.182 -20.025 1.00 50.32 O ATOM 0 H SER A 17 0.804 0.322 -19.431 1.00 24.53 H new ATOM 0 HA SER A 17 0.416 2.448 -21.153 1.00 13.24 H new ATOM 0 HB2 SER A 17 2.365 0.239 -21.817 1.00 44.42 H new ATOM 0 HB3 SER A 17 2.589 1.975 -21.918 1.00 44.42 H new ATOM 0 HG SER A 17 3.699 1.051 -20.105 1.00 50.32 H new ATOM 270 N ASN A 18 -0.442 -0.414 -22.460 1.00 3.41 N ATOM 271 CA ASN A 18 -1.091 -1.043 -23.605 1.00 4.44 C ATOM 272 C ASN A 18 -2.306 -0.236 -24.052 1.00 41.35 C ATOM 273 O ASN A 18 -2.604 -0.151 -25.244 1.00 75.14 O ATOM 274 CB ASN A 18 -1.514 -2.471 -23.255 1.00 45.55 C ATOM 275 CG ASN A 18 -1.525 -3.383 -24.467 1.00 20.31 C ATOM 276 OD1 ASN A 18 -2.514 -3.454 -25.196 1.00 42.21 O ATOM 277 ND2 ASN A 18 -0.420 -4.087 -24.688 1.00 10.13 N ATOM 0 H ASN A 18 -0.336 -1.022 -21.648 1.00 3.41 H new ATOM 0 HA ASN A 18 -0.375 -1.074 -24.426 1.00 4.44 H new ATOM 0 HB2 ASN A 18 -0.834 -2.875 -22.505 1.00 45.55 H new ATOM 0 HB3 ASN A 18 -2.508 -2.454 -22.807 1.00 45.55 H new ATOM 0 HD21 ASN A 18 -0.368 -4.717 -25.488 1.00 10.13 H new ATOM 0 HD22 ASN A 18 0.377 -3.997 -24.057 1.00 10.13 H new ATOM 284 N VAL A 19 -3.004 0.356 -23.089 1.00 12.12 N ATOM 285 CA VAL A 19 -4.186 1.158 -23.382 1.00 3.02 C ATOM 286 C VAL A 19 -3.888 2.206 -24.449 1.00 21.33 C ATOM 287 O VAL A 19 -2.909 2.945 -24.350 1.00 25.30 O ATOM 288 CB VAL A 19 -4.715 1.863 -22.120 1.00 14.04 C ATOM 289 CG1 VAL A 19 -6.003 2.611 -22.425 1.00 10.34 C ATOM 290 CG2 VAL A 19 -4.926 0.857 -20.998 1.00 33.00 C ATOM 0 H VAL A 19 -2.771 0.295 -22.098 1.00 12.12 H new ATOM 0 HA VAL A 19 -4.949 0.473 -23.752 1.00 3.02 H new ATOM 0 HB VAL A 19 -3.971 2.589 -21.792 1.00 14.04 H new ATOM 0 HG11 VAL A 19 -6.361 3.103 -21.520 1.00 10.34 H new ATOM 0 HG12 VAL A 19 -5.815 3.359 -23.195 1.00 10.34 H new ATOM 0 HG13 VAL A 19 -6.757 1.908 -22.779 1.00 10.34 H new ATOM 0 HG21 VAL A 19 -5.300 1.372 -20.113 1.00 33.00 H new ATOM 0 HG22 VAL A 19 -5.650 0.106 -21.314 1.00 33.00 H new ATOM 0 HG23 VAL A 19 -3.979 0.371 -20.762 1.00 33.00 H new ATOM 300 N ALA A 20 -4.739 2.265 -25.468 1.00 12.02 N ATOM 301 CA ALA A 20 -4.568 3.225 -26.551 1.00 50.13 C ATOM 302 C ALA A 20 -4.789 4.651 -26.061 1.00 3.33 C ATOM 303 O ALA A 20 -5.715 4.919 -25.295 1.00 5.41 O ATOM 304 CB ALA A 20 -5.520 2.904 -27.695 1.00 35.24 C ATOM 0 H ALA A 20 -5.554 1.659 -25.566 1.00 12.02 H new ATOM 0 HA ALA A 20 -3.543 3.149 -26.913 1.00 50.13 H new ATOM 0 HB1 ALA A 20 -5.382 3.629 -28.497 1.00 35.24 H new ATOM 0 HB2 ALA A 20 -5.312 1.902 -28.071 1.00 35.24 H new ATOM 0 HB3 ALA A 20 -6.548 2.951 -27.337 1.00 35.24 H new ATOM 310 N VAL A 21 -3.933 5.565 -26.507 1.00 23.20 N ATOM 311 CA VAL A 21 -4.034 6.965 -26.114 1.00 70.12 C ATOM 312 C VAL A 21 -5.407 7.534 -26.456 1.00 63.20 C ATOM 313 O VAL A 21 -5.874 8.479 -25.824 1.00 1.13 O ATOM 314 CB VAL A 21 -2.951 7.820 -26.797 1.00 23.23 C ATOM 315 CG1 VAL A 21 -2.939 9.228 -26.222 1.00 12.44 C ATOM 316 CG2 VAL A 21 -1.585 7.165 -26.652 1.00 52.04 C ATOM 0 H VAL A 21 -3.161 5.360 -27.141 1.00 23.20 H new ATOM 0 HA VAL A 21 -3.887 7.002 -25.035 1.00 70.12 H new ATOM 0 HB VAL A 21 -3.185 7.889 -27.859 1.00 23.23 H new ATOM 0 HG11 VAL A 21 -2.167 9.817 -26.717 1.00 12.44 H new ATOM 0 HG12 VAL A 21 -3.911 9.695 -26.383 1.00 12.44 H new ATOM 0 HG13 VAL A 21 -2.731 9.183 -25.153 1.00 12.44 H new ATOM 0 HG21 VAL A 21 -0.832 7.783 -27.141 1.00 52.04 H new ATOM 0 HG22 VAL A 21 -1.341 7.063 -25.595 1.00 52.04 H new ATOM 0 HG23 VAL A 21 -1.603 6.179 -27.117 1.00 52.04 H new ATOM 396 N LYS A 28 -1.473 4.175 -31.703 1.00 1.33 N ATOM 397 CA LYS A 28 -1.195 5.107 -30.616 1.00 15.12 C ATOM 398 C LYS A 28 -1.391 4.435 -29.260 1.00 11.30 C ATOM 399 O LYS A 28 -2.520 4.165 -28.847 1.00 64.35 O ATOM 400 CB LYS A 28 -2.103 6.335 -30.725 1.00 33.42 C ATOM 401 CG LYS A 28 -1.354 7.618 -31.045 1.00 74.21 C ATOM 402 CD LYS A 28 -1.635 8.088 -32.462 1.00 31.12 C ATOM 403 CE LYS A 28 -1.565 9.604 -32.569 1.00 25.41 C ATOM 404 NZ LYS A 28 -2.881 10.241 -32.297 1.00 15.34 N ATOM 0 HA LYS A 28 -0.155 5.423 -30.698 1.00 15.12 H new ATOM 0 HB2 LYS A 28 -2.850 6.157 -31.499 1.00 33.42 H new ATOM 0 HB3 LYS A 28 -2.642 6.463 -29.786 1.00 33.42 H new ATOM 0 HG2 LYS A 28 -1.644 8.396 -30.338 1.00 74.21 H new ATOM 0 HG3 LYS A 28 -0.283 7.456 -30.920 1.00 74.21 H new ATOM 0 HD2 LYS A 28 -0.913 7.640 -33.145 1.00 31.12 H new ATOM 0 HD3 LYS A 28 -2.622 7.745 -32.771 1.00 31.12 H new ATOM 0 HE2 LYS A 28 -0.825 9.984 -31.864 1.00 25.41 H new ATOM 0 HE3 LYS A 28 -1.226 9.882 -33.567 1.00 25.41 H new ATOM 0 HZ1 LYS A 28 -2.791 11.274 -32.380 1.00 15.34 H new ATOM 0 HZ2 LYS A 28 -3.581 9.898 -32.985 1.00 15.34 H new ATOM 0 HZ3 LYS A 28 -3.193 9.997 -31.335 1.00 15.34 H new ATOM 418 N LYS A 29 -0.287 4.170 -28.571 1.00 43.13 N ATOM 419 CA LYS A 29 -0.337 3.533 -27.261 1.00 72.55 C ATOM 420 C LYS A 29 0.209 4.463 -26.182 1.00 44.21 C ATOM 421 O LYS A 29 1.203 5.158 -26.393 1.00 4.43 O ATOM 422 CB LYS A 29 0.462 2.227 -27.275 1.00 43.33 C ATOM 423 CG LYS A 29 -0.257 1.082 -27.969 1.00 1.11 C ATOM 424 CD LYS A 29 0.473 -0.235 -27.770 1.00 54.35 C ATOM 425 CE LYS A 29 -0.317 -1.401 -28.345 1.00 63.23 C ATOM 426 NZ LYS A 29 -1.586 -1.635 -27.599 1.00 25.50 N ATOM 0 H LYS A 29 0.654 4.387 -28.898 1.00 43.13 H new ATOM 0 HA LYS A 29 -1.380 3.312 -27.032 1.00 72.55 H new ATOM 0 HB2 LYS A 29 1.417 2.400 -27.772 1.00 43.33 H new ATOM 0 HB3 LYS A 29 0.685 1.936 -26.248 1.00 43.33 H new ATOM 0 HG2 LYS A 29 -1.272 0.999 -27.580 1.00 1.11 H new ATOM 0 HG3 LYS A 29 -0.340 1.296 -29.035 1.00 1.11 H new ATOM 0 HD2 LYS A 29 1.451 -0.186 -28.248 1.00 54.35 H new ATOM 0 HD3 LYS A 29 0.645 -0.400 -26.706 1.00 54.35 H new ATOM 0 HE2 LYS A 29 -0.543 -1.204 -29.393 1.00 63.23 H new ATOM 0 HE3 LYS A 29 0.294 -2.303 -28.314 1.00 63.23 H new ATOM 0 HZ1 LYS A 29 -1.597 -2.607 -27.230 1.00 25.50 H new ATOM 0 HZ2 LYS A 29 -1.652 -0.963 -26.808 1.00 25.50 H new ATOM 0 HZ3 LYS A 29 -2.395 -1.498 -28.238 1.00 25.50 H new ATOM 440 N PHE A 30 -0.445 4.469 -25.026 1.00 51.44 N ATOM 441 CA PHE A 30 -0.024 5.313 -23.913 1.00 41.24 C ATOM 442 C PHE A 30 1.403 4.982 -23.489 1.00 32.31 C ATOM 443 O PHE A 30 1.679 3.889 -22.998 1.00 61.45 O ATOM 444 CB PHE A 30 -0.975 5.140 -22.727 1.00 35.45 C ATOM 445 CG PHE A 30 -1.817 6.353 -22.452 1.00 13.11 C ATOM 446 CD1 PHE A 30 -3.200 6.275 -22.486 1.00 61.55 C ATOM 447 CD2 PHE A 30 -1.226 7.572 -22.159 1.00 42.45 C ATOM 448 CE1 PHE A 30 -3.979 7.388 -22.234 1.00 62.52 C ATOM 449 CE2 PHE A 30 -1.999 8.689 -21.905 1.00 53.10 C ATOM 450 CZ PHE A 30 -3.377 8.598 -21.944 1.00 55.24 C ATOM 0 H PHE A 30 -1.269 3.899 -24.835 1.00 51.44 H new ATOM 0 HA PHE A 30 -0.053 6.351 -24.245 1.00 41.24 H new ATOM 0 HB2 PHE A 30 -1.629 4.289 -22.917 1.00 35.45 H new ATOM 0 HB3 PHE A 30 -0.393 4.902 -21.837 1.00 35.45 H new ATOM 0 HD1 PHE A 30 -3.675 5.332 -22.712 1.00 61.55 H new ATOM 0 HD2 PHE A 30 -0.149 7.650 -22.129 1.00 42.45 H new ATOM 0 HE1 PHE A 30 -5.056 7.313 -22.264 1.00 62.52 H new ATOM 0 HE2 PHE A 30 -1.526 9.633 -21.676 1.00 53.10 H new ATOM 0 HZ PHE A 30 -3.983 9.471 -21.748 1.00 55.24 H new ATOM 460 N GLY A 31 2.308 5.937 -23.683 1.00 30.30 N ATOM 461 CA GLY A 31 3.697 5.729 -23.316 1.00 74.55 C ATOM 462 C GLY A 31 3.959 6.014 -21.851 1.00 3.41 C ATOM 463 O GLY A 31 3.081 6.504 -21.142 1.00 55.24 O ATOM 0 H GLY A 31 2.104 6.851 -24.088 1.00 30.30 H new ATOM 0 HA2 GLY A 31 3.978 4.700 -23.538 1.00 74.55 H new ATOM 0 HA3 GLY A 31 4.331 6.372 -23.927 1.00 74.55 H new ATOM 467 N GLU A 32 5.169 5.707 -21.397 1.00 34.05 N ATOM 468 CA GLU A 32 5.543 5.932 -20.005 1.00 5.32 C ATOM 469 C GLU A 32 5.480 7.418 -19.659 1.00 53.43 C ATOM 470 O GLU A 32 4.939 7.802 -18.622 1.00 52.44 O ATOM 471 CB GLU A 32 6.950 5.395 -19.738 1.00 54.54 C ATOM 472 CG GLU A 32 6.965 4.095 -18.950 1.00 4.31 C ATOM 473 CD GLU A 32 7.241 4.310 -17.475 1.00 53.31 C ATOM 474 OE1 GLU A 32 8.381 4.044 -17.040 1.00 63.23 O ATOM 475 OE2 GLU A 32 6.317 4.744 -16.755 1.00 75.55 O ATOM 0 H GLU A 32 5.908 5.302 -21.972 1.00 34.05 H new ATOM 0 HA GLU A 32 4.833 5.398 -19.374 1.00 5.32 H new ATOM 0 HB2 GLU A 32 7.457 5.239 -20.690 1.00 54.54 H new ATOM 0 HB3 GLU A 32 7.520 6.147 -19.193 1.00 54.54 H new ATOM 0 HG2 GLU A 32 6.005 3.593 -19.067 1.00 4.31 H new ATOM 0 HG3 GLU A 32 7.724 3.432 -19.365 1.00 4.31 H new ATOM 482 N GLY A 33 6.037 8.248 -20.535 1.00 11.14 N ATOM 483 CA GLY A 33 6.034 9.681 -20.304 1.00 20.12 C ATOM 484 C GLY A 33 4.634 10.240 -20.144 1.00 72.01 C ATOM 485 O GLY A 33 4.400 11.114 -19.311 1.00 11.40 O ATOM 0 H GLY A 33 6.490 7.954 -21.400 1.00 11.14 H new ATOM 0 HA2 GLY A 33 6.615 9.903 -19.409 1.00 20.12 H new ATOM 0 HA3 GLY A 33 6.529 10.181 -21.137 1.00 20.12 H new ATOM 489 N ASN A 34 3.702 9.734 -20.946 1.00 12.03 N ATOM 490 CA ASN A 34 2.318 10.191 -20.890 1.00 43.12 C ATOM 491 C ASN A 34 1.658 9.770 -19.580 1.00 40.42 C ATOM 492 O ASN A 34 1.152 10.605 -18.831 1.00 21.03 O ATOM 493 CB ASN A 34 1.527 9.632 -22.075 1.00 21.13 C ATOM 494 CG ASN A 34 1.969 10.228 -23.398 1.00 33.53 C ATOM 495 OD1 ASN A 34 1.672 11.384 -23.700 1.00 72.33 O ATOM 496 ND2 ASN A 34 2.682 9.439 -24.193 1.00 61.21 N ATOM 0 H ASN A 34 3.880 9.009 -21.641 1.00 12.03 H new ATOM 0 HA ASN A 34 2.318 11.280 -20.942 1.00 43.12 H new ATOM 0 HB2 ASN A 34 1.646 8.549 -22.110 1.00 21.13 H new ATOM 0 HB3 ASN A 34 0.466 9.831 -21.926 1.00 21.13 H new ATOM 0 HD21 ASN A 34 3.007 9.785 -25.096 1.00 61.21 H new ATOM 0 HD22 ASN A 34 2.904 8.487 -23.901 1.00 61.21 H new ATOM 503 N PHE A 35 1.667 8.468 -19.311 1.00 30.34 N ATOM 504 CA PHE A 35 1.070 7.936 -18.092 1.00 30.42 C ATOM 505 C PHE A 35 1.627 8.643 -16.860 1.00 15.23 C ATOM 506 O PHE A 35 0.952 8.750 -15.835 1.00 4.12 O ATOM 507 CB PHE A 35 1.325 6.431 -17.989 1.00 42.42 C ATOM 508 CG PHE A 35 0.093 5.599 -18.199 1.00 62.23 C ATOM 509 CD1 PHE A 35 -0.976 5.686 -17.323 1.00 55.10 C ATOM 510 CD2 PHE A 35 0.004 4.727 -19.274 1.00 14.33 C ATOM 511 CE1 PHE A 35 -2.113 4.921 -17.513 1.00 3.03 C ATOM 512 CE2 PHE A 35 -1.130 3.961 -19.470 1.00 34.14 C ATOM 513 CZ PHE A 35 -2.189 4.057 -18.587 1.00 64.42 C ATOM 0 H PHE A 35 2.081 7.763 -19.921 1.00 30.34 H new ATOM 0 HA PHE A 35 -0.005 8.113 -18.136 1.00 30.42 H new ATOM 0 HB2 PHE A 35 2.076 6.146 -18.726 1.00 42.42 H new ATOM 0 HB3 PHE A 35 1.742 6.208 -17.007 1.00 42.42 H new ATOM 0 HD1 PHE A 35 -0.921 6.360 -16.481 1.00 55.10 H new ATOM 0 HD2 PHE A 35 0.830 4.646 -19.965 1.00 14.33 H new ATOM 0 HE1 PHE A 35 -2.940 5.000 -16.822 1.00 3.03 H new ATOM 0 HE2 PHE A 35 -1.188 3.288 -20.313 1.00 34.14 H new ATOM 0 HZ PHE A 35 -3.074 3.457 -18.737 1.00 64.42 H new ATOM 523 N ARG A 36 2.862 9.122 -16.967 1.00 10.15 N ATOM 524 CA ARG A 36 3.511 9.817 -15.861 1.00 45.22 C ATOM 525 C ARG A 36 2.965 11.235 -15.716 1.00 72.31 C ATOM 526 O ARG A 36 2.574 11.651 -14.625 1.00 71.32 O ATOM 527 CB ARG A 36 5.024 9.861 -16.078 1.00 12.15 C ATOM 528 CG ARG A 36 5.809 9.063 -15.050 1.00 74.13 C ATOM 529 CD ARG A 36 7.243 8.830 -15.501 1.00 30.24 C ATOM 530 NE ARG A 36 7.751 7.534 -15.062 1.00 23.20 N ATOM 531 CZ ARG A 36 9.045 7.244 -14.973 1.00 14.14 C ATOM 532 NH1 ARG A 36 9.955 8.154 -15.289 1.00 62.11 N ATOM 533 NH2 ARG A 36 9.430 6.041 -14.566 1.00 75.20 N ATOM 0 H ARG A 36 3.433 9.042 -17.808 1.00 10.15 H new ATOM 0 HA ARG A 36 3.298 9.269 -14.943 1.00 45.22 H new ATOM 0 HB2 ARG A 36 5.251 9.479 -17.073 1.00 12.15 H new ATOM 0 HB3 ARG A 36 5.357 10.899 -16.051 1.00 12.15 H new ATOM 0 HG2 ARG A 36 5.808 9.594 -14.098 1.00 74.13 H new ATOM 0 HG3 ARG A 36 5.319 8.104 -14.881 1.00 74.13 H new ATOM 0 HD2 ARG A 36 7.295 8.891 -16.588 1.00 30.24 H new ATOM 0 HD3 ARG A 36 7.880 9.622 -15.107 1.00 30.24 H new ATOM 0 HE ARG A 36 7.076 6.812 -14.810 1.00 23.20 H new ATOM 0 HH11 ARG A 36 9.663 9.080 -15.602 1.00 62.11 H new ATOM 0 HH12 ARG A 36 10.947 7.928 -15.220 1.00 62.11 H new ATOM 0 HH21 ARG A 36 8.733 5.338 -14.321 1.00 75.20 H new ATOM 0 HH22 ARG A 36 10.423 5.819 -14.498 1.00 75.20 H new ATOM 547 N TRP A 37 2.943 11.971 -16.821 1.00 75.43 N ATOM 548 CA TRP A 37 2.447 13.342 -16.816 1.00 54.44 C ATOM 549 C TRP A 37 1.032 13.406 -16.251 1.00 1.33 C ATOM 550 O TRP A 37 0.634 14.412 -15.662 1.00 23.10 O ATOM 551 CB TRP A 37 2.470 13.921 -18.231 1.00 72.43 C ATOM 552 CG TRP A 37 1.689 15.192 -18.367 1.00 74.12 C ATOM 553 CD1 TRP A 37 2.181 16.465 -18.325 1.00 31.41 C ATOM 554 CD2 TRP A 37 0.276 15.313 -18.565 1.00 53.11 C ATOM 555 NE1 TRP A 37 1.159 17.370 -18.485 1.00 21.43 N ATOM 556 CE2 TRP A 37 -0.019 16.688 -18.634 1.00 2.53 C ATOM 557 CE3 TRP A 37 -0.769 14.393 -18.691 1.00 20.51 C ATOM 558 CZ2 TRP A 37 -1.314 17.162 -18.824 1.00 11.04 C ATOM 559 CZ3 TRP A 37 -2.053 14.865 -18.878 1.00 43.14 C ATOM 560 CH2 TRP A 37 -2.317 16.240 -18.944 1.00 13.34 C ATOM 0 H TRP A 37 3.263 11.641 -17.732 1.00 75.43 H new ATOM 0 HA TRP A 37 3.101 13.936 -16.178 1.00 54.44 H new ATOM 0 HB2 TRP A 37 3.504 14.106 -18.523 1.00 72.43 H new ATOM 0 HB3 TRP A 37 2.070 13.182 -18.925 1.00 72.43 H new ATOM 0 HD1 TRP A 37 3.221 16.723 -18.186 1.00 31.41 H new ATOM 0 HE1 TRP A 37 1.261 18.385 -18.492 1.00 21.43 H new ATOM 0 HE3 TRP A 37 -0.575 13.332 -18.643 1.00 20.51 H new ATOM 0 HZ2 TRP A 37 -1.520 18.221 -18.875 1.00 11.04 H new ATOM 0 HZ3 TRP A 37 -2.868 14.163 -18.975 1.00 43.14 H new ATOM 0 HH2 TRP A 37 -3.332 16.578 -19.092 1.00 13.34 H new ATOM 571 N ALA A 38 0.277 12.328 -16.433 1.00 61.02 N ATOM 572 CA ALA A 38 -1.093 12.263 -15.939 1.00 31.41 C ATOM 573 C ALA A 38 -1.123 11.962 -14.444 1.00 10.52 C ATOM 574 O ALA A 38 -1.546 12.797 -13.642 1.00 44.25 O ATOM 575 CB ALA A 38 -1.881 11.211 -16.706 1.00 32.21 C ATOM 0 H ALA A 38 0.591 11.488 -16.919 1.00 61.02 H new ATOM 0 HA ALA A 38 -1.557 13.237 -16.097 1.00 31.41 H new ATOM 0 HB1 ALA A 38 -2.902 11.173 -16.327 1.00 32.21 H new ATOM 0 HB2 ALA A 38 -1.896 11.468 -17.765 1.00 32.21 H new ATOM 0 HB3 ALA A 38 -1.409 10.237 -16.576 1.00 32.21 H new ATOM 581 N ILE A 39 -0.674 10.767 -14.076 1.00 41.50 N ATOM 582 CA ILE A 39 -0.650 10.359 -12.677 1.00 52.02 C ATOM 583 C ILE A 39 0.038 11.407 -11.809 1.00 43.42 C ATOM 584 O ILE A 39 -0.359 11.641 -10.668 1.00 75.43 O ATOM 585 CB ILE A 39 0.069 9.009 -12.497 1.00 53.02 C ATOM 586 CG1 ILE A 39 0.037 8.581 -11.028 1.00 64.21 C ATOM 587 CG2 ILE A 39 1.503 9.101 -12.998 1.00 13.34 C ATOM 588 CD1 ILE A 39 -0.597 7.226 -10.807 1.00 62.21 C ATOM 0 H ILE A 39 -0.322 10.065 -14.727 1.00 41.50 H new ATOM 0 HA ILE A 39 -1.688 10.255 -12.362 1.00 52.02 H new ATOM 0 HB ILE A 39 -0.452 8.255 -13.086 1.00 53.02 H new ATOM 0 HG12 ILE A 39 1.056 8.564 -10.641 1.00 64.21 H new ATOM 0 HG13 ILE A 39 -0.510 9.327 -10.452 1.00 64.21 H new ATOM 0 HG21 ILE A 39 1.998 8.139 -12.864 1.00 13.34 H new ATOM 0 HG22 ILE A 39 1.503 9.365 -14.056 1.00 13.34 H new ATOM 0 HG23 ILE A 39 2.037 9.865 -12.434 1.00 13.34 H new ATOM 0 HD11 ILE A 39 -0.585 6.988 -9.743 1.00 62.21 H new ATOM 0 HD12 ILE A 39 -1.627 7.244 -11.163 1.00 62.21 H new ATOM 0 HD13 ILE A 39 -0.037 6.468 -11.355 1.00 62.21 H new ATOM 600 N ARG A 40 1.069 12.039 -12.360 1.00 74.43 N ATOM 601 CA ARG A 40 1.813 13.064 -11.637 1.00 54.22 C ATOM 602 C ARG A 40 0.987 14.339 -11.500 1.00 44.52 C ATOM 603 O ARG A 40 0.656 14.762 -10.393 1.00 63.11 O ATOM 604 CB ARG A 40 3.129 13.370 -12.352 1.00 43.22 C ATOM 605 CG ARG A 40 4.146 12.244 -12.265 1.00 71.33 C ATOM 606 CD ARG A 40 5.169 12.501 -11.169 1.00 13.14 C ATOM 607 NE ARG A 40 6.441 11.838 -11.441 1.00 71.11 N ATOM 608 CZ ARG A 40 7.372 11.627 -10.518 1.00 71.22 C ATOM 609 NH1 ARG A 40 7.173 12.022 -9.268 1.00 5.03 N ATOM 610 NH2 ARG A 40 8.505 11.017 -10.843 1.00 12.12 N ATOM 0 H ARG A 40 1.408 11.859 -13.305 1.00 74.43 H new ATOM 0 HA ARG A 40 2.031 12.683 -10.639 1.00 54.22 H new ATOM 0 HB2 ARG A 40 2.922 13.581 -13.401 1.00 43.22 H new ATOM 0 HB3 ARG A 40 3.563 14.274 -11.925 1.00 43.22 H new ATOM 0 HG2 ARG A 40 3.632 11.302 -12.071 1.00 71.33 H new ATOM 0 HG3 ARG A 40 4.656 12.138 -13.223 1.00 71.33 H new ATOM 0 HD2 ARG A 40 5.333 13.574 -11.071 1.00 13.14 H new ATOM 0 HD3 ARG A 40 4.774 12.151 -10.215 1.00 13.14 H new ATOM 0 HE ARG A 40 6.625 11.519 -12.392 1.00 71.11 H new ATOM 0 HH11 ARG A 40 6.303 12.489 -9.013 1.00 5.03 H new ATOM 0 HH12 ARG A 40 7.890 11.858 -8.561 1.00 5.03 H new ATOM 0 HH21 ARG A 40 8.662 10.710 -11.803 1.00 12.12 H new ATOM 0 HH22 ARG A 40 9.219 10.856 -10.133 1.00 12.12 H new ATOM 624 N MET A 41 0.657 14.949 -12.635 1.00 70.51 N ATOM 625 CA MET A 41 -0.130 16.176 -12.641 1.00 45.44 C ATOM 626 C MET A 41 -1.407 16.007 -11.824 1.00 45.12 C ATOM 627 O MET A 41 -1.919 16.968 -11.250 1.00 72.23 O ATOM 628 CB MET A 41 -0.479 16.575 -14.077 1.00 11.43 C ATOM 629 CG MET A 41 -1.385 17.793 -14.166 1.00 51.41 C ATOM 630 SD MET A 41 -0.757 19.045 -15.300 1.00 3.44 S ATOM 631 CE MET A 41 0.376 19.930 -14.234 1.00 1.45 C ATOM 0 H MET A 41 0.923 14.613 -13.561 1.00 70.51 H new ATOM 0 HA MET A 41 0.469 16.965 -12.187 1.00 45.44 H new ATOM 0 HB2 MET A 41 0.442 16.777 -14.623 1.00 11.43 H new ATOM 0 HB3 MET A 41 -0.965 15.734 -14.571 1.00 11.43 H new ATOM 0 HG2 MET A 41 -2.377 17.480 -14.490 1.00 51.41 H new ATOM 0 HG3 MET A 41 -1.497 18.231 -13.174 1.00 51.41 H new ATOM 0 HE1 MET A 41 0.846 20.739 -14.794 1.00 1.45 H new ATOM 0 HE2 MET A 41 -0.170 20.344 -13.387 1.00 1.45 H new ATOM 0 HE3 MET A 41 1.144 19.246 -13.871 1.00 1.45 H new ATOM 641 N ALA A 42 -1.916 14.781 -11.778 1.00 50.44 N ATOM 642 CA ALA A 42 -3.133 14.487 -11.029 1.00 60.44 C ATOM 643 C ALA A 42 -2.893 14.594 -9.528 1.00 35.51 C ATOM 644 O ALA A 42 -3.615 15.297 -8.823 1.00 21.15 O ATOM 645 CB ALA A 42 -3.649 13.100 -11.386 1.00 11.32 C ATOM 0 H ALA A 42 -1.506 13.975 -12.250 1.00 50.44 H new ATOM 0 HA ALA A 42 -3.887 15.225 -11.303 1.00 60.44 H new ATOM 0 HB1 ALA A 42 -4.557 12.893 -10.820 1.00 11.32 H new ATOM 0 HB2 ALA A 42 -3.868 13.057 -12.453 1.00 11.32 H new ATOM 0 HB3 ALA A 42 -2.891 12.356 -11.141 1.00 11.32 H new ATOM 651 N ASN A 43 -1.873 13.892 -9.044 1.00 71.14 N ATOM 652 CA ASN A 43 -1.539 13.907 -7.625 1.00 30.13 C ATOM 653 C ASN A 43 -1.245 15.328 -7.150 1.00 44.15 C ATOM 654 O ASN A 43 -1.780 15.778 -6.137 1.00 23.41 O ATOM 655 CB ASN A 43 -0.331 13.008 -7.354 1.00 14.13 C ATOM 656 CG ASN A 43 -0.532 11.598 -7.873 1.00 23.53 C ATOM 657 OD1 ASN A 43 -1.662 11.125 -7.996 1.00 61.32 O ATOM 658 ND2 ASN A 43 0.567 10.918 -8.182 1.00 41.52 N ATOM 0 H ASN A 43 -1.264 13.306 -9.614 1.00 71.14 H new ATOM 0 HA ASN A 43 -2.398 13.527 -7.072 1.00 30.13 H new ATOM 0 HB2 ASN A 43 0.553 13.442 -7.821 1.00 14.13 H new ATOM 0 HB3 ASN A 43 -0.140 12.974 -6.281 1.00 14.13 H new ATOM 0 HD21 ASN A 43 0.494 9.965 -8.537 1.00 41.52 H new ATOM 0 HD22 ASN A 43 1.484 11.349 -8.064 1.00 41.52 H new ATOM 665 N VAL A 44 -0.393 16.029 -7.892 1.00 1.53 N ATOM 666 CA VAL A 44 -0.031 17.399 -7.549 1.00 4.02 C ATOM 667 C VAL A 44 -1.261 18.298 -7.499 1.00 35.40 C ATOM 668 O VAL A 44 -1.434 19.079 -6.563 1.00 53.44 O ATOM 669 CB VAL A 44 0.976 17.982 -8.559 1.00 51.23 C ATOM 670 CG1 VAL A 44 1.357 19.404 -8.173 1.00 72.15 C ATOM 671 CG2 VAL A 44 2.210 17.097 -8.651 1.00 2.34 C ATOM 0 H VAL A 44 0.059 15.671 -8.733 1.00 1.53 H new ATOM 0 HA VAL A 44 0.431 17.366 -6.562 1.00 4.02 H new ATOM 0 HB VAL A 44 0.504 18.012 -9.541 1.00 51.23 H new ATOM 0 HG11 VAL A 44 2.069 19.799 -8.898 1.00 72.15 H new ATOM 0 HG12 VAL A 44 0.465 20.030 -8.162 1.00 72.15 H new ATOM 0 HG13 VAL A 44 1.811 19.403 -7.182 1.00 72.15 H new ATOM 0 HG21 VAL A 44 2.911 17.523 -9.369 1.00 2.34 H new ATOM 0 HG22 VAL A 44 2.686 17.034 -7.673 1.00 2.34 H new ATOM 0 HG23 VAL A 44 1.918 16.099 -8.978 1.00 2.34 H new ATOM 681 N SER A 45 -2.114 18.181 -8.511 1.00 20.20 N ATOM 682 CA SER A 45 -3.329 18.985 -8.584 1.00 2.02 C ATOM 683 C SER A 45 -4.172 18.811 -7.325 1.00 52.22 C ATOM 684 O SER A 45 -4.943 19.695 -6.951 1.00 5.31 O ATOM 685 CB SER A 45 -4.147 18.600 -9.818 1.00 31.44 C ATOM 686 OG SER A 45 -3.501 19.016 -11.009 1.00 10.12 O ATOM 0 H SER A 45 -1.987 17.537 -9.292 1.00 20.20 H new ATOM 0 HA SER A 45 -3.038 20.033 -8.663 1.00 2.02 H new ATOM 0 HB2 SER A 45 -4.294 17.520 -9.838 1.00 31.44 H new ATOM 0 HB3 SER A 45 -5.136 19.055 -9.759 1.00 31.44 H new ATOM 0 HG SER A 45 -2.724 18.443 -11.177 1.00 10.12 H new ATOM 692 N THR A 46 -4.021 17.662 -6.673 1.00 42.24 N ATOM 693 CA THR A 46 -4.769 17.369 -5.457 1.00 42.01 C ATOM 694 C THR A 46 -3.948 17.695 -4.216 1.00 11.15 C ATOM 695 O THR A 46 -4.499 17.933 -3.140 1.00 63.43 O ATOM 696 CB THR A 46 -5.195 15.889 -5.403 1.00 4.32 C ATOM 697 OG1 THR A 46 -4.285 15.089 -6.165 1.00 73.22 O ATOM 698 CG2 THR A 46 -6.607 15.713 -5.942 1.00 42.02 C ATOM 0 H THR A 46 -3.387 16.919 -6.967 1.00 42.24 H new ATOM 0 HA THR A 46 -5.661 17.996 -5.475 1.00 42.01 H new ATOM 0 HB THR A 46 -5.177 15.566 -4.362 1.00 4.32 H new ATOM 0 HG1 THR A 46 -3.369 15.256 -5.861 1.00 73.22 H new ATOM 0 HG21 THR A 46 -6.886 14.660 -5.894 1.00 42.02 H new ATOM 0 HG22 THR A 46 -7.302 16.300 -5.341 1.00 42.02 H new ATOM 0 HG23 THR A 46 -6.646 16.052 -6.977 1.00 42.02 H new ATOM 706 N GLY A 47 -2.628 17.706 -4.369 1.00 63.35 N ATOM 707 CA GLY A 47 -1.753 18.005 -3.251 1.00 24.52 C ATOM 708 C GLY A 47 -1.391 16.770 -2.451 1.00 20.20 C ATOM 709 O GLY A 47 -1.500 16.762 -1.225 1.00 2.31 O ATOM 0 H GLY A 47 -2.148 17.513 -5.248 1.00 63.35 H new ATOM 0 HA2 GLY A 47 -0.842 18.473 -3.622 1.00 24.52 H new ATOM 0 HA3 GLY A 47 -2.239 18.728 -2.596 1.00 24.52 H new ATOM 713 N ARG A 48 -0.961 15.722 -3.146 1.00 71.51 N ATOM 714 CA ARG A 48 -0.585 14.474 -2.491 1.00 61.44 C ATOM 715 C ARG A 48 0.810 14.032 -2.923 1.00 62.34 C ATOM 716 O ARG A 48 1.022 12.872 -3.278 1.00 1.35 O ATOM 717 CB ARG A 48 -1.602 13.378 -2.815 1.00 74.12 C ATOM 718 CG ARG A 48 -1.693 12.298 -1.749 1.00 21.15 C ATOM 719 CD ARG A 48 -2.980 11.497 -1.875 1.00 21.43 C ATOM 720 NE ARG A 48 -3.025 10.381 -0.935 1.00 33.12 N ATOM 721 CZ ARG A 48 -3.254 10.525 0.366 1.00 35.23 C ATOM 722 NH1 ARG A 48 -3.457 11.732 0.878 1.00 72.15 N ATOM 723 NH2 ARG A 48 -3.278 9.461 1.158 1.00 52.42 N ATOM 0 H ARG A 48 -0.864 15.712 -4.161 1.00 71.51 H new ATOM 0 HA ARG A 48 -0.576 14.646 -1.415 1.00 61.44 H new ATOM 0 HB2 ARG A 48 -2.584 13.832 -2.945 1.00 74.12 H new ATOM 0 HB3 ARG A 48 -1.336 12.917 -3.766 1.00 74.12 H new ATOM 0 HG2 ARG A 48 -0.837 11.629 -1.834 1.00 21.15 H new ATOM 0 HG3 ARG A 48 -1.643 12.756 -0.761 1.00 21.15 H new ATOM 0 HD2 ARG A 48 -3.833 12.152 -1.700 1.00 21.43 H new ATOM 0 HD3 ARG A 48 -3.072 11.118 -2.893 1.00 21.43 H new ATOM 0 HE ARG A 48 -2.872 9.440 -1.297 1.00 33.12 H new ATOM 0 HH11 ARG A 48 -3.438 12.553 0.273 1.00 72.15 H new ATOM 0 HH12 ARG A 48 -3.633 11.839 1.877 1.00 72.15 H new ATOM 0 HH21 ARG A 48 -3.121 8.532 0.768 1.00 52.42 H new ATOM 0 HH22 ARG A 48 -3.454 9.572 2.157 1.00 52.42 H new ATOM 773 N ASP A 52 3.239 10.116 -5.940 1.00 73.22 N ATOM 774 CA ASP A 52 2.126 9.449 -5.274 1.00 33.00 C ATOM 775 C ASP A 52 1.629 8.265 -6.097 1.00 61.33 C ATOM 776 O ASP A 52 0.858 8.434 -7.043 1.00 72.41 O ATOM 777 CB ASP A 52 0.982 10.435 -5.035 1.00 14.42 C ATOM 778 CG ASP A 52 0.287 10.205 -3.706 1.00 3.20 C ATOM 779 OD1 ASP A 52 0.977 10.214 -2.666 1.00 34.23 O ATOM 780 OD2 ASP A 52 -0.947 10.017 -3.708 1.00 1.12 O ATOM 0 HA ASP A 52 2.482 9.076 -4.313 1.00 33.00 H new ATOM 0 HB2 ASP A 52 1.371 11.453 -5.067 1.00 14.42 H new ATOM 0 HB3 ASP A 52 0.255 10.346 -5.842 1.00 14.42 H new ATOM 785 N ILE A 53 2.076 7.068 -5.733 1.00 30.11 N ATOM 786 CA ILE A 53 1.678 5.857 -6.438 1.00 11.31 C ATOM 787 C ILE A 53 0.834 4.953 -5.545 1.00 41.13 C ATOM 788 O ILE A 53 1.288 3.913 -5.066 1.00 44.43 O ATOM 789 CB ILE A 53 2.902 5.068 -6.938 1.00 71.04 C ATOM 790 CG1 ILE A 53 3.822 5.976 -7.755 1.00 61.35 C ATOM 791 CG2 ILE A 53 2.457 3.870 -7.766 1.00 25.51 C ATOM 792 CD1 ILE A 53 3.195 6.477 -9.037 1.00 52.25 C ATOM 0 H ILE A 53 2.715 6.911 -4.953 1.00 30.11 H new ATOM 0 HA ILE A 53 1.085 6.172 -7.296 1.00 11.31 H new ATOM 0 HB ILE A 53 3.458 4.702 -6.075 1.00 71.04 H new ATOM 0 HG12 ILE A 53 4.111 6.831 -7.144 1.00 61.35 H new ATOM 0 HG13 ILE A 53 4.735 5.432 -7.995 1.00 61.35 H new ATOM 0 HG21 ILE A 53 3.333 3.322 -8.113 1.00 25.51 H new ATOM 0 HG22 ILE A 53 1.838 3.215 -7.154 1.00 25.51 H new ATOM 0 HG23 ILE A 53 1.882 4.215 -8.625 1.00 25.51 H new ATOM 0 HD11 ILE A 53 3.905 7.115 -9.564 1.00 52.25 H new ATOM 0 HD12 ILE A 53 2.931 5.629 -9.668 1.00 52.25 H new ATOM 0 HD13 ILE A 53 2.297 7.049 -8.804 1.00 52.25 H new ATOM 804 N PRO A 54 -0.425 5.356 -5.315 1.00 23.24 N ATOM 805 CA PRO A 54 -1.359 4.596 -4.480 1.00 63.13 C ATOM 806 C PRO A 54 -1.794 3.291 -5.138 1.00 73.14 C ATOM 807 O PRO A 54 -2.180 3.273 -6.306 1.00 51.44 O ATOM 808 CB PRO A 54 -2.553 5.543 -4.332 1.00 55.12 C ATOM 809 CG PRO A 54 -2.492 6.421 -5.534 1.00 21.20 C ATOM 810 CD PRO A 54 -1.032 6.585 -5.854 1.00 34.23 C ATOM 0 HA PRO A 54 -0.911 4.301 -3.531 1.00 63.13 H new ATOM 0 HB2 PRO A 54 -3.493 4.992 -4.292 1.00 55.12 H new ATOM 0 HB3 PRO A 54 -2.485 6.125 -3.413 1.00 55.12 H new ATOM 0 HG2 PRO A 54 -3.027 5.973 -6.372 1.00 21.20 H new ATOM 0 HG3 PRO A 54 -2.959 7.386 -5.336 1.00 21.20 H new ATOM 0 HD2 PRO A 54 -0.864 6.679 -6.927 1.00 34.23 H new ATOM 0 HD3 PRO A 54 -0.616 7.477 -5.386 1.00 34.23 H new ATOM 818 N GLU A 55 -1.727 2.201 -4.378 1.00 44.33 N ATOM 819 CA GLU A 55 -2.114 0.891 -4.890 1.00 13.52 C ATOM 820 C GLU A 55 -3.454 0.454 -4.306 1.00 54.44 C ATOM 821 O GLU A 55 -3.599 -0.671 -3.825 1.00 74.42 O ATOM 822 CB GLU A 55 -1.039 -0.147 -4.561 1.00 21.12 C ATOM 823 CG GLU A 55 -0.861 -1.201 -5.640 1.00 74.34 C ATOM 824 CD GLU A 55 0.231 -2.199 -5.306 1.00 22.30 C ATOM 825 OE1 GLU A 55 0.584 -3.010 -6.189 1.00 14.23 O ATOM 826 OE2 GLU A 55 0.732 -2.170 -4.163 1.00 23.55 O ATOM 0 H GLU A 55 -1.409 2.199 -3.409 1.00 44.33 H new ATOM 0 HA GLU A 55 -2.216 0.967 -5.973 1.00 13.52 H new ATOM 0 HB2 GLU A 55 -0.089 0.364 -4.403 1.00 21.12 H new ATOM 0 HB3 GLU A 55 -1.296 -0.639 -3.623 1.00 21.12 H new ATOM 0 HG2 GLU A 55 -1.802 -1.732 -5.783 1.00 74.34 H new ATOM 0 HG3 GLU A 55 -0.624 -0.712 -6.585 1.00 74.34 H new ATOM 833 N THR A 56 -4.435 1.351 -4.352 1.00 33.44 N ATOM 834 CA THR A 56 -5.763 1.059 -3.827 1.00 24.14 C ATOM 835 C THR A 56 -6.844 1.739 -4.659 1.00 73.30 C ATOM 836 O THR A 56 -6.799 2.950 -4.884 1.00 70.15 O ATOM 837 CB THR A 56 -5.899 1.512 -2.360 1.00 61.22 C ATOM 838 OG1 THR A 56 -5.986 2.939 -2.294 1.00 65.43 O ATOM 839 CG2 THR A 56 -4.715 1.031 -1.534 1.00 42.43 C ATOM 0 H THR A 56 -4.334 2.286 -4.748 1.00 33.44 H new ATOM 0 HA THR A 56 -5.894 -0.022 -3.880 1.00 24.14 H new ATOM 0 HB THR A 56 -6.809 1.075 -1.950 1.00 61.22 H new ATOM 0 HG1 THR A 56 -5.092 3.315 -2.154 1.00 65.43 H new ATOM 0 HG21 THR A 56 -4.833 1.362 -0.502 1.00 42.43 H new ATOM 0 HG22 THR A 56 -4.670 -0.058 -1.563 1.00 42.43 H new ATOM 0 HG23 THR A 56 -3.793 1.443 -1.945 1.00 42.43 H new ATOM 847 N LEU A 57 -7.815 0.955 -5.112 1.00 52.21 N ATOM 848 CA LEU A 57 -8.910 1.482 -5.919 1.00 73.03 C ATOM 849 C LEU A 57 -9.600 2.642 -5.210 1.00 12.52 C ATOM 850 O LEU A 57 -10.173 3.524 -5.852 1.00 33.54 O ATOM 851 CB LEU A 57 -9.925 0.377 -6.221 1.00 4.41 C ATOM 852 CG LEU A 57 -9.381 -0.854 -6.945 1.00 50.43 C ATOM 853 CD1 LEU A 57 -9.969 -2.126 -6.351 1.00 23.24 C ATOM 854 CD2 LEU A 57 -9.680 -0.773 -8.436 1.00 14.12 C ATOM 0 H LEU A 57 -7.867 -0.048 -4.934 1.00 52.21 H new ATOM 0 HA LEU A 57 -8.493 1.850 -6.856 1.00 73.03 H new ATOM 0 HB2 LEU A 57 -10.370 0.053 -5.280 1.00 4.41 H new ATOM 0 HB3 LEU A 57 -10.727 0.803 -6.823 1.00 4.41 H new ATOM 0 HG LEU A 57 -8.299 -0.880 -6.812 1.00 50.43 H new ATOM 0 HD11 LEU A 57 -9.570 -2.992 -6.879 1.00 23.24 H new ATOM 0 HD12 LEU A 57 -9.704 -2.191 -5.296 1.00 23.24 H new ATOM 0 HD13 LEU A 57 -11.054 -2.107 -6.452 1.00 23.24 H new ATOM 0 HD21 LEU A 57 -9.285 -1.658 -8.935 1.00 14.12 H new ATOM 0 HD22 LEU A 57 -10.758 -0.721 -8.589 1.00 14.12 H new ATOM 0 HD23 LEU A 57 -9.211 0.118 -8.853 1.00 14.12 H new ATOM 866 N ASP A 58 -9.542 2.637 -3.883 1.00 32.13 N ATOM 867 CA ASP A 58 -10.158 3.691 -3.086 1.00 34.13 C ATOM 868 C ASP A 58 -9.420 5.013 -3.267 1.00 63.32 C ATOM 869 O ASP A 58 -10.038 6.056 -3.481 1.00 75.15 O ATOM 870 CB ASP A 58 -10.172 3.299 -1.607 1.00 31.45 C ATOM 871 CG ASP A 58 -11.072 2.112 -1.330 1.00 11.53 C ATOM 872 OD1 ASP A 58 -11.929 1.805 -2.184 1.00 65.14 O ATOM 873 OD2 ASP A 58 -10.920 1.489 -0.258 1.00 2.31 O ATOM 0 H ASP A 58 -9.074 1.914 -3.336 1.00 32.13 H new ATOM 0 HA ASP A 58 -11.184 3.819 -3.430 1.00 34.13 H new ATOM 0 HB2 ASP A 58 -9.157 3.064 -1.287 1.00 31.45 H new ATOM 0 HB3 ASP A 58 -10.504 4.150 -1.012 1.00 31.45 H new ATOM 878 N GLN A 59 -8.094 4.961 -3.182 1.00 15.42 N ATOM 879 CA GLN A 59 -7.272 6.155 -3.335 1.00 5.14 C ATOM 880 C GLN A 59 -7.389 6.719 -4.748 1.00 55.40 C ATOM 881 O GLN A 59 -7.304 7.930 -4.954 1.00 14.31 O ATOM 882 CB GLN A 59 -5.809 5.838 -3.020 1.00 53.01 C ATOM 883 CG GLN A 59 -5.506 5.783 -1.531 1.00 54.03 C ATOM 884 CD GLN A 59 -4.067 5.403 -1.242 1.00 43.51 C ATOM 885 OE1 GLN A 59 -3.634 4.269 -1.780 1.00 11.01 O flip ATOM 886 NE2 GLN A 59 -3.352 6.121 -0.542 1.00 3.53 N flip ATOM 0 H GLN A 59 -7.567 4.105 -3.008 1.00 15.42 H new ATOM 0 HA GLN A 59 -7.633 6.906 -2.632 1.00 5.14 H new ATOM 0 HB2 GLN A 59 -5.548 4.881 -3.471 1.00 53.01 H new ATOM 0 HB3 GLN A 59 -5.174 6.593 -3.484 1.00 53.01 H new ATOM 0 HG2 GLN A 59 -5.718 6.755 -1.085 1.00 54.03 H new ATOM 0 HG3 GLN A 59 -6.171 5.062 -1.055 1.00 54.03 H new ATOM 0 HE21 GLN A 59 -3.726 6.985 -0.148 1.00 3.53 H new ATOM 0 HE22 GLN A 59 -2.386 5.852 -0.356 1.00 3.53 H new ATOM 895 N LEU A 60 -7.584 5.832 -5.718 1.00 24.24 N ATOM 896 CA LEU A 60 -7.712 6.240 -7.112 1.00 4.13 C ATOM 897 C LEU A 60 -9.077 6.868 -7.372 1.00 44.12 C ATOM 898 O LEU A 60 -9.171 8.014 -7.814 1.00 21.40 O ATOM 899 CB LEU A 60 -7.506 5.040 -8.038 1.00 32.13 C ATOM 900 CG LEU A 60 -6.063 4.758 -8.460 1.00 70.11 C ATOM 901 CD1 LEU A 60 -5.572 5.825 -9.426 1.00 71.25 C ATOM 902 CD2 LEU A 60 -5.156 4.681 -7.241 1.00 33.11 C ATOM 0 H LEU A 60 -7.657 4.826 -5.564 1.00 24.24 H new ATOM 0 HA LEU A 60 -6.944 6.985 -7.318 1.00 4.13 H new ATOM 0 HB2 LEU A 60 -7.899 4.152 -7.542 1.00 32.13 H new ATOM 0 HB3 LEU A 60 -8.103 5.193 -8.937 1.00 32.13 H new ATOM 0 HG LEU A 60 -6.035 3.795 -8.970 1.00 70.11 H new ATOM 0 HD11 LEU A 60 -4.544 5.608 -9.716 1.00 71.25 H new ATOM 0 HD12 LEU A 60 -6.205 5.832 -10.313 1.00 71.25 H new ATOM 0 HD13 LEU A 60 -5.615 6.801 -8.943 1.00 71.25 H new ATOM 0 HD21 LEU A 60 -4.133 4.480 -7.560 1.00 33.11 H new ATOM 0 HD22 LEU A 60 -5.188 5.628 -6.703 1.00 33.11 H new ATOM 0 HD23 LEU A 60 -5.496 3.880 -6.585 1.00 33.11 H new ATOM 914 N ARG A 61 -10.134 6.112 -7.094 1.00 74.30 N ATOM 915 CA ARG A 61 -11.494 6.594 -7.296 1.00 51.30 C ATOM 916 C ARG A 61 -11.699 7.945 -6.616 1.00 10.01 C ATOM 917 O ARG A 61 -12.458 8.786 -7.098 1.00 10.24 O ATOM 918 CB ARG A 61 -12.503 5.580 -6.755 1.00 54.31 C ATOM 919 CG ARG A 61 -12.513 5.480 -5.239 1.00 15.32 C ATOM 920 CD ARG A 61 -13.616 4.554 -4.749 1.00 14.42 C ATOM 921 NE ARG A 61 -14.903 5.238 -4.656 1.00 51.01 N ATOM 922 CZ ARG A 61 -15.956 4.739 -4.017 1.00 44.11 C ATOM 923 NH1 ARG A 61 -15.874 3.559 -3.418 1.00 5.34 N ATOM 924 NH2 ARG A 61 -17.094 5.421 -3.978 1.00 54.03 N ATOM 0 H ARG A 61 -10.074 5.162 -6.728 1.00 74.30 H new ATOM 0 HA ARG A 61 -11.653 6.718 -8.367 1.00 51.30 H new ATOM 0 HB2 ARG A 61 -13.500 5.854 -7.099 1.00 54.31 H new ATOM 0 HB3 ARG A 61 -12.279 4.599 -7.174 1.00 54.31 H new ATOM 0 HG2 ARG A 61 -11.547 5.113 -4.891 1.00 15.32 H new ATOM 0 HG3 ARG A 61 -12.651 6.472 -4.809 1.00 15.32 H new ATOM 0 HD2 ARG A 61 -13.705 3.705 -5.427 1.00 14.42 H new ATOM 0 HD3 ARG A 61 -13.346 4.154 -3.771 1.00 14.42 H new ATOM 0 HE ARG A 61 -14.999 6.148 -5.106 1.00 51.01 H new ATOM 0 HH11 ARG A 61 -15.001 3.032 -3.447 1.00 5.34 H new ATOM 0 HH12 ARG A 61 -16.684 3.178 -2.928 1.00 5.34 H new ATOM 0 HH21 ARG A 61 -17.161 6.329 -4.439 1.00 54.03 H new ATOM 0 HH22 ARG A 61 -17.902 5.037 -3.487 1.00 54.03 H new ATOM 938 N LEU A 62 -11.019 8.144 -5.492 1.00 4.43 N ATOM 939 CA LEU A 62 -11.126 9.392 -4.744 1.00 44.44 C ATOM 940 C LEU A 62 -10.429 10.531 -5.482 1.00 43.24 C ATOM 941 O LEU A 62 -11.042 11.553 -5.789 1.00 50.54 O ATOM 942 CB LEU A 62 -10.521 9.227 -3.349 1.00 2.32 C ATOM 943 CG LEU A 62 -11.071 10.154 -2.264 1.00 44.54 C ATOM 944 CD1 LEU A 62 -10.765 11.606 -2.597 1.00 73.22 C ATOM 945 CD2 LEU A 62 -12.571 9.948 -2.099 1.00 31.12 C ATOM 0 H LEU A 62 -10.388 7.457 -5.079 1.00 4.43 H new ATOM 0 HA LEU A 62 -12.183 9.640 -4.648 1.00 44.44 H new ATOM 0 HB2 LEU A 62 -10.673 8.196 -3.029 1.00 2.32 H new ATOM 0 HB3 LEU A 62 -9.445 9.383 -3.421 1.00 2.32 H new ATOM 0 HG LEU A 62 -10.583 9.909 -1.321 1.00 44.54 H new ATOM 0 HD11 LEU A 62 -11.164 12.251 -1.814 1.00 73.22 H new ATOM 0 HD12 LEU A 62 -9.686 11.744 -2.666 1.00 73.22 H new ATOM 0 HD13 LEU A 62 -11.226 11.866 -3.550 1.00 73.22 H new ATOM 0 HD21 LEU A 62 -12.947 10.615 -1.323 1.00 31.12 H new ATOM 0 HD22 LEU A 62 -13.074 10.167 -3.041 1.00 31.12 H new ATOM 0 HD23 LEU A 62 -12.767 8.914 -1.815 1.00 31.12 H new ATOM 957 N VAL A 63 -9.143 10.346 -5.765 1.00 43.35 N ATOM 958 CA VAL A 63 -8.363 11.357 -6.471 1.00 75.05 C ATOM 959 C VAL A 63 -8.977 11.676 -7.828 1.00 1.51 C ATOM 960 O VAL A 63 -8.953 12.822 -8.277 1.00 2.23 O ATOM 961 CB VAL A 63 -6.906 10.899 -6.673 1.00 3.23 C ATOM 962 CG1 VAL A 63 -6.120 11.950 -7.441 1.00 24.33 C ATOM 963 CG2 VAL A 63 -6.250 10.603 -5.334 1.00 33.03 C ATOM 0 H VAL A 63 -8.620 9.507 -5.517 1.00 43.35 H new ATOM 0 HA VAL A 63 -8.372 12.254 -5.852 1.00 75.05 H new ATOM 0 HB VAL A 63 -6.909 9.980 -7.260 1.00 3.23 H new ATOM 0 HG11 VAL A 63 -5.093 11.610 -7.575 1.00 24.33 H new ATOM 0 HG12 VAL A 63 -6.580 12.108 -8.416 1.00 24.33 H new ATOM 0 HG13 VAL A 63 -6.123 12.886 -6.883 1.00 24.33 H new ATOM 0 HG21 VAL A 63 -5.221 10.281 -5.496 1.00 33.03 H new ATOM 0 HG22 VAL A 63 -6.256 11.503 -4.719 1.00 33.03 H new ATOM 0 HG23 VAL A 63 -6.802 9.813 -4.825 1.00 33.03 H new ATOM 973 N ILE A 64 -9.528 10.657 -8.478 1.00 54.32 N ATOM 974 CA ILE A 64 -10.151 10.830 -9.784 1.00 41.24 C ATOM 975 C ILE A 64 -11.445 11.628 -9.674 1.00 5.11 C ATOM 976 O ILE A 64 -11.570 12.710 -10.251 1.00 64.34 O ATOM 977 CB ILE A 64 -10.453 9.474 -10.448 1.00 65.24 C ATOM 978 CG1 ILE A 64 -9.161 8.674 -10.637 1.00 13.51 C ATOM 979 CG2 ILE A 64 -11.152 9.681 -11.783 1.00 4.31 C ATOM 980 CD1 ILE A 64 -9.376 7.177 -10.664 1.00 50.31 C ATOM 0 H ILE A 64 -9.556 9.702 -8.121 1.00 54.32 H new ATOM 0 HA ILE A 64 -9.440 11.378 -10.402 1.00 41.24 H new ATOM 0 HB ILE A 64 -11.118 8.908 -9.795 1.00 65.24 H new ATOM 0 HG12 ILE A 64 -8.686 8.982 -11.568 1.00 13.51 H new ATOM 0 HG13 ILE A 64 -8.470 8.919 -9.830 1.00 13.51 H new ATOM 0 HG21 ILE A 64 -11.358 8.713 -12.240 1.00 4.31 H new ATOM 0 HG22 ILE A 64 -12.089 10.215 -11.624 1.00 4.31 H new ATOM 0 HG23 ILE A 64 -10.510 10.264 -12.443 1.00 4.31 H new ATOM 0 HD11 ILE A 64 -8.419 6.674 -10.801 1.00 50.31 H new ATOM 0 HD12 ILE A 64 -9.823 6.857 -9.723 1.00 50.31 H new ATOM 0 HD13 ILE A 64 -10.042 6.920 -11.488 1.00 50.31 H new ATOM 992 N CYS A 65 -12.404 11.091 -8.930 1.00 51.11 N ATOM 993 CA CYS A 65 -13.690 11.754 -8.743 1.00 64.14 C ATOM 994 C CYS A 65 -13.501 13.157 -8.175 1.00 44.21 C ATOM 995 O CYS A 65 -14.297 14.057 -8.441 1.00 12.31 O ATOM 996 CB CYS A 65 -14.582 10.931 -7.813 1.00 41.43 C ATOM 997 SG CYS A 65 -16.346 11.302 -7.961 1.00 64.43 S ATOM 0 H CYS A 65 -12.316 10.198 -8.446 1.00 51.11 H new ATOM 0 HA CYS A 65 -14.172 11.837 -9.717 1.00 64.14 H new ATOM 0 HB2 CYS A 65 -14.426 9.872 -8.021 1.00 41.43 H new ATOM 0 HB3 CYS A 65 -14.271 11.103 -6.783 1.00 41.43 H new ATOM 0 HG CYS A 65 -17.017 10.554 -7.136 1.00 64.43 H new ATOM 1003 N ASP A 66 -12.442 13.335 -7.393 1.00 62.33 N ATOM 1004 CA ASP A 66 -12.148 14.628 -6.787 1.00 25.11 C ATOM 1005 C ASP A 66 -11.507 15.571 -7.802 1.00 32.21 C ATOM 1006 O ASP A 66 -12.081 16.602 -8.156 1.00 64.32 O ATOM 1007 CB ASP A 66 -11.224 14.452 -5.582 1.00 12.10 C ATOM 1008 CG ASP A 66 -10.936 15.763 -4.877 1.00 21.34 C ATOM 1009 OD1 ASP A 66 -9.972 15.811 -4.083 1.00 34.14 O ATOM 1010 OD2 ASP A 66 -11.671 16.742 -5.120 1.00 43.24 O ATOM 0 H ASP A 66 -11.773 12.600 -7.164 1.00 62.33 H new ATOM 0 HA ASP A 66 -13.088 15.067 -6.453 1.00 25.11 H new ATOM 0 HB2 ASP A 66 -11.679 13.756 -4.877 1.00 12.10 H new ATOM 0 HB3 ASP A 66 -10.285 14.005 -5.910 1.00 12.10 H new ATOM 1015 N LEU A 67 -10.314 15.212 -8.264 1.00 51.33 N ATOM 1016 CA LEU A 67 -9.595 16.025 -9.238 1.00 33.35 C ATOM 1017 C LEU A 67 -10.479 16.349 -10.437 1.00 71.31 C ATOM 1018 O LEU A 67 -10.431 17.456 -10.974 1.00 73.11 O ATOM 1019 CB LEU A 67 -8.330 15.300 -9.702 1.00 31.40 C ATOM 1020 CG LEU A 67 -7.575 15.945 -10.865 1.00 52.03 C ATOM 1021 CD1 LEU A 67 -6.996 17.287 -10.447 1.00 72.13 C ATOM 1022 CD2 LEU A 67 -6.476 15.019 -11.365 1.00 45.21 C ATOM 0 H LEU A 67 -9.825 14.363 -7.980 1.00 51.33 H new ATOM 0 HA LEU A 67 -9.314 16.961 -8.756 1.00 33.35 H new ATOM 0 HB2 LEU A 67 -7.650 15.219 -8.854 1.00 31.40 H new ATOM 0 HB3 LEU A 67 -8.602 14.285 -9.990 1.00 31.40 H new ATOM 0 HG LEU A 67 -8.278 16.115 -11.680 1.00 52.03 H new ATOM 0 HD11 LEU A 67 -6.462 17.731 -11.288 1.00 72.13 H new ATOM 0 HD12 LEU A 67 -7.803 17.951 -10.138 1.00 72.13 H new ATOM 0 HD13 LEU A 67 -6.307 17.143 -9.615 1.00 72.13 H new ATOM 0 HD21 LEU A 67 -5.949 15.494 -12.193 1.00 45.21 H new ATOM 0 HD22 LEU A 67 -5.774 14.817 -10.556 1.00 45.21 H new ATOM 0 HD23 LEU A 67 -6.917 14.082 -11.705 1.00 45.21 H new ATOM 1034 N GLN A 68 -11.285 15.377 -10.850 1.00 65.15 N ATOM 1035 CA GLN A 68 -12.182 15.560 -11.986 1.00 65.33 C ATOM 1036 C GLN A 68 -13.287 16.556 -11.653 1.00 12.24 C ATOM 1037 O GLN A 68 -13.446 17.571 -12.331 1.00 33.44 O ATOM 1038 CB GLN A 68 -12.794 14.221 -12.401 1.00 22.43 C ATOM 1039 CG GLN A 68 -13.879 14.350 -13.458 1.00 74.14 C ATOM 1040 CD GLN A 68 -14.100 13.062 -14.227 1.00 12.50 C ATOM 1041 OE1 GLN A 68 -14.457 12.034 -13.649 1.00 61.20 O ATOM 1042 NE2 GLN A 68 -13.891 13.111 -15.537 1.00 3.24 N ATOM 0 H GLN A 68 -11.336 14.455 -10.416 1.00 65.15 H new ATOM 0 HA GLN A 68 -11.598 15.958 -12.816 1.00 65.33 H new ATOM 0 HB2 GLN A 68 -12.005 13.572 -12.780 1.00 22.43 H new ATOM 0 HB3 GLN A 68 -13.212 13.734 -11.520 1.00 22.43 H new ATOM 0 HG2 GLN A 68 -14.812 14.649 -12.981 1.00 74.14 H new ATOM 0 HG3 GLN A 68 -13.609 15.143 -14.155 1.00 74.14 H new ATOM 0 HE21 GLN A 68 -13.596 13.984 -15.974 1.00 3.24 H new ATOM 0 HE22 GLN A 68 -14.026 12.276 -16.107 1.00 3.24 H new ATOM 1051 N GLU A 69 -14.048 16.259 -10.604 1.00 32.43 N ATOM 1052 CA GLU A 69 -15.139 17.129 -10.182 1.00 71.41 C ATOM 1053 C GLU A 69 -14.627 18.532 -9.870 1.00 71.00 C ATOM 1054 O GLU A 69 -15.381 19.504 -9.916 1.00 10.03 O ATOM 1055 CB GLU A 69 -15.839 16.546 -8.952 1.00 42.21 C ATOM 1056 CG GLU A 69 -16.951 17.427 -8.410 1.00 41.52 C ATOM 1057 CD GLU A 69 -17.605 16.847 -7.171 1.00 72.25 C ATOM 1058 OE1 GLU A 69 -18.458 15.946 -7.317 1.00 21.21 O ATOM 1059 OE2 GLU A 69 -17.264 17.293 -6.056 1.00 73.04 O ATOM 0 H GLU A 69 -13.929 15.423 -10.032 1.00 32.43 H new ATOM 0 HA GLU A 69 -15.854 17.195 -11.002 1.00 71.41 H new ATOM 0 HB2 GLU A 69 -16.252 15.570 -9.208 1.00 42.21 H new ATOM 0 HB3 GLU A 69 -15.100 16.384 -8.167 1.00 42.21 H new ATOM 0 HG2 GLU A 69 -16.547 18.412 -8.176 1.00 41.52 H new ATOM 0 HG3 GLU A 69 -17.707 17.568 -9.183 1.00 41.52 H new ATOM 1066 N ARG A 70 -13.340 18.629 -9.554 1.00 14.43 N ATOM 1067 CA ARG A 70 -12.727 19.912 -9.232 1.00 24.44 C ATOM 1068 C ARG A 70 -12.558 20.763 -10.488 1.00 10.22 C ATOM 1069 O ARG A 70 -13.180 21.817 -10.623 1.00 62.42 O ATOM 1070 CB ARG A 70 -11.369 19.699 -8.562 1.00 33.13 C ATOM 1071 CG ARG A 70 -11.346 20.091 -7.093 1.00 54.31 C ATOM 1072 CD ARG A 70 -9.939 20.024 -6.520 1.00 4.51 C ATOM 1073 NE ARG A 70 -9.904 20.401 -5.109 1.00 45.43 N ATOM 1074 CZ ARG A 70 -10.000 21.655 -4.680 1.00 44.33 C ATOM 1075 NH1 ARG A 70 -10.135 22.648 -5.550 1.00 72.34 N ATOM 1076 NH2 ARG A 70 -9.960 21.918 -3.381 1.00 20.05 N ATOM 0 H ARG A 70 -12.702 17.835 -9.514 1.00 14.43 H new ATOM 0 HA ARG A 70 -13.386 20.438 -8.542 1.00 24.44 H new ATOM 0 HB2 ARG A 70 -11.089 18.650 -8.654 1.00 33.13 H new ATOM 0 HB3 ARG A 70 -10.615 20.278 -9.096 1.00 33.13 H new ATOM 0 HG2 ARG A 70 -11.739 21.101 -6.979 1.00 54.31 H new ATOM 0 HG3 ARG A 70 -12.002 19.428 -6.528 1.00 54.31 H new ATOM 0 HD2 ARG A 70 -9.549 19.013 -6.635 1.00 4.51 H new ATOM 0 HD3 ARG A 70 -9.284 20.685 -7.088 1.00 4.51 H new ATOM 0 HE ARG A 70 -9.800 19.661 -4.415 1.00 45.43 H new ATOM 0 HH11 ARG A 70 -10.165 22.449 -6.550 1.00 72.34 H new ATOM 0 HH12 ARG A 70 -10.209 23.610 -5.219 1.00 72.34 H new ATOM 0 HH21 ARG A 70 -9.855 21.157 -2.710 1.00 20.05 H new ATOM 0 HH22 ARG A 70 -10.034 22.881 -3.053 1.00 20.05 H new ATOM 1090 N ARG A 71 -11.712 20.299 -11.402 1.00 53.30 N ATOM 1091 CA ARG A 71 -11.461 21.018 -12.645 1.00 30.21 C ATOM 1092 C ARG A 71 -12.735 21.128 -13.477 1.00 4.01 C ATOM 1093 O ARG A 71 -13.007 22.168 -14.077 1.00 62.42 O ATOM 1094 CB ARG A 71 -10.371 20.313 -13.454 1.00 65.52 C ATOM 1095 CG ARG A 71 -9.348 21.264 -14.056 1.00 71.31 C ATOM 1096 CD ARG A 71 -8.102 21.363 -13.189 1.00 22.42 C ATOM 1097 NE ARG A 71 -7.846 22.732 -12.753 1.00 13.34 N ATOM 1098 CZ ARG A 71 -6.773 23.095 -12.059 1.00 24.51 C ATOM 1099 NH1 ARG A 71 -5.859 22.193 -11.727 1.00 12.11 N ATOM 1100 NH2 ARG A 71 -6.610 24.361 -11.699 1.00 74.01 N ATOM 0 H ARG A 71 -11.189 19.429 -11.305 1.00 53.30 H new ATOM 0 HA ARG A 71 -11.125 22.024 -12.392 1.00 30.21 H new ATOM 0 HB2 ARG A 71 -9.857 19.599 -12.810 1.00 65.52 H new ATOM 0 HB3 ARG A 71 -10.838 19.740 -14.255 1.00 65.52 H new ATOM 0 HG2 ARG A 71 -9.073 20.920 -15.053 1.00 71.31 H new ATOM 0 HG3 ARG A 71 -9.792 22.253 -14.171 1.00 71.31 H new ATOM 0 HD2 ARG A 71 -8.216 20.720 -12.316 1.00 22.42 H new ATOM 0 HD3 ARG A 71 -7.242 20.994 -13.747 1.00 22.42 H new ATOM 0 HE ARG A 71 -8.529 23.450 -12.995 1.00 13.34 H new ATOM 0 HH11 ARG A 71 -5.979 21.219 -12.005 1.00 12.11 H new ATOM 0 HH12 ARG A 71 -5.036 22.473 -11.194 1.00 12.11 H new ATOM 0 HH21 ARG A 71 -7.309 25.058 -11.955 1.00 74.01 H new ATOM 0 HH22 ARG A 71 -5.785 24.638 -11.166 1.00 74.01 H new ATOM 1114 N GLU A 72 -13.512 20.050 -13.507 1.00 51.10 N ATOM 1115 CA GLU A 72 -14.757 20.026 -14.266 1.00 23.24 C ATOM 1116 C GLU A 72 -15.712 21.112 -13.779 1.00 71.31 C ATOM 1117 O GLU A 72 -16.220 21.909 -14.568 1.00 34.20 O ATOM 1118 CB GLU A 72 -15.424 18.655 -14.151 1.00 73.32 C ATOM 1119 CG GLU A 72 -16.638 18.492 -15.050 1.00 52.20 C ATOM 1120 CD GLU A 72 -17.939 18.811 -14.339 1.00 35.25 C ATOM 1121 OE1 GLU A 72 -18.738 19.597 -14.888 1.00 42.43 O ATOM 1122 OE2 GLU A 72 -18.156 18.277 -13.231 1.00 73.44 O ATOM 0 H GLU A 72 -13.301 19.182 -13.015 1.00 51.10 H new ATOM 0 HA GLU A 72 -14.519 20.219 -15.312 1.00 23.24 H new ATOM 0 HB2 GLU A 72 -14.694 17.883 -14.397 1.00 73.32 H new ATOM 0 HB3 GLU A 72 -15.724 18.492 -13.116 1.00 73.32 H new ATOM 0 HG2 GLU A 72 -16.533 19.144 -15.917 1.00 52.20 H new ATOM 0 HG3 GLU A 72 -16.674 17.469 -15.423 1.00 52.20 H new ATOM 1129 N LYS A 73 -15.952 21.137 -12.472 1.00 23.03 N ATOM 1130 CA LYS A 73 -16.845 22.124 -11.876 1.00 64.32 C ATOM 1131 C LYS A 73 -16.359 23.541 -12.162 1.00 25.54 C ATOM 1132 O LYS A 73 -17.158 24.458 -12.346 1.00 53.52 O ATOM 1133 CB LYS A 73 -16.947 21.903 -10.366 1.00 4.41 C ATOM 1134 CG LYS A 73 -17.790 22.948 -9.654 1.00 53.14 C ATOM 1135 CD LYS A 73 -18.205 22.480 -8.269 1.00 25.34 C ATOM 1136 CE LYS A 73 -19.714 22.525 -8.094 1.00 12.52 C ATOM 1137 NZ LYS A 73 -20.236 23.920 -8.134 1.00 51.44 N ATOM 0 H LYS A 73 -15.540 20.484 -11.805 1.00 23.03 H new ATOM 0 HA LYS A 73 -17.832 22.001 -12.322 1.00 64.32 H new ATOM 0 HB2 LYS A 73 -17.372 20.917 -10.179 1.00 4.41 H new ATOM 0 HB3 LYS A 73 -15.944 21.904 -9.938 1.00 4.41 H new ATOM 0 HG2 LYS A 73 -17.226 23.877 -9.571 1.00 53.14 H new ATOM 0 HG3 LYS A 73 -18.678 23.166 -10.247 1.00 53.14 H new ATOM 0 HD2 LYS A 73 -17.849 21.463 -8.106 1.00 25.34 H new ATOM 0 HD3 LYS A 73 -17.731 23.108 -7.515 1.00 25.34 H new ATOM 0 HE2 LYS A 73 -20.188 21.937 -8.880 1.00 12.52 H new ATOM 0 HE3 LYS A 73 -19.983 22.064 -7.144 1.00 12.52 H new ATOM 0 HZ1 LYS A 73 -21.252 23.917 -7.910 1.00 51.44 H new ATOM 0 HZ2 LYS A 73 -19.729 24.500 -7.436 1.00 51.44 H new ATOM 0 HZ3 LYS A 73 -20.092 24.317 -9.084 1.00 51.44 H new ATOM 1151 N PHE A 74 -15.041 23.713 -12.199 1.00 30.03 N ATOM 1152 CA PHE A 74 -14.447 25.018 -12.462 1.00 64.11 C ATOM 1153 C PHE A 74 -14.497 25.348 -13.952 1.00 70.13 C ATOM 1154 O PHE A 74 -14.462 26.514 -14.343 1.00 34.22 O ATOM 1155 CB PHE A 74 -12.999 25.053 -11.970 1.00 75.03 C ATOM 1156 CG PHE A 74 -12.306 26.358 -12.237 1.00 25.04 C ATOM 1157 CD1 PHE A 74 -11.311 26.445 -13.198 1.00 3.51 C ATOM 1158 CD2 PHE A 74 -12.648 27.499 -11.527 1.00 74.35 C ATOM 1159 CE1 PHE A 74 -10.672 27.645 -13.447 1.00 72.11 C ATOM 1160 CE2 PHE A 74 -12.012 28.700 -11.772 1.00 70.20 C ATOM 1161 CZ PHE A 74 -11.022 28.774 -12.732 1.00 41.03 C ATOM 0 H PHE A 74 -14.365 22.964 -12.050 1.00 30.03 H new ATOM 0 HA PHE A 74 -15.025 25.767 -11.921 1.00 64.11 H new ATOM 0 HB2 PHE A 74 -12.983 24.855 -10.898 1.00 75.03 H new ATOM 0 HB3 PHE A 74 -12.441 24.250 -12.451 1.00 75.03 H new ATOM 0 HD1 PHE A 74 -11.032 25.565 -13.759 1.00 3.51 H new ATOM 0 HD2 PHE A 74 -13.420 27.448 -10.774 1.00 74.35 H new ATOM 0 HE1 PHE A 74 -9.900 27.700 -14.200 1.00 72.11 H new ATOM 0 HE2 PHE A 74 -12.289 29.582 -11.213 1.00 70.20 H new ATOM 0 HZ PHE A 74 -10.523 29.712 -12.923 1.00 41.03 H new ATOM 1171 N GLY A 75 -14.580 24.310 -14.779 1.00 45.31 N ATOM 1172 CA GLY A 75 -14.633 24.509 -16.216 1.00 14.12 C ATOM 1173 C GLY A 75 -14.228 23.269 -16.989 1.00 13.25 C ATOM 1174 O GLY A 75 -14.123 22.183 -16.420 1.00 72.30 O ATOM 0 H GLY A 75 -14.611 23.335 -14.480 1.00 45.31 H new ATOM 0 HA2 GLY A 75 -15.644 24.798 -16.503 1.00 14.12 H new ATOM 0 HA3 GLY A 75 -13.976 25.335 -16.490 1.00 14.12 H new ATOM 1178 N SER A 76 -14.001 23.432 -18.288 1.00 74.31 N ATOM 1179 CA SER A 76 -13.610 22.315 -19.141 1.00 32.24 C ATOM 1180 C SER A 76 -12.208 22.528 -19.704 1.00 63.55 C ATOM 1181 O SER A 76 -11.856 23.629 -20.126 1.00 1.43 O ATOM 1182 CB SER A 76 -14.611 22.145 -20.285 1.00 12.45 C ATOM 1183 OG SER A 76 -15.717 21.356 -19.880 1.00 62.32 O ATOM 0 H SER A 76 -14.081 24.326 -18.773 1.00 74.31 H new ATOM 0 HA SER A 76 -13.606 21.410 -18.534 1.00 32.24 H new ATOM 0 HB2 SER A 76 -14.960 23.123 -20.616 1.00 12.45 H new ATOM 0 HB3 SER A 76 -14.118 21.677 -21.137 1.00 12.45 H new ATOM 0 HG SER A 76 -16.344 21.263 -20.628 1.00 62.32 H new ATOM 1189 N SER A 77 -11.412 21.463 -19.709 1.00 22.13 N ATOM 1190 CA SER A 77 -10.046 21.531 -20.217 1.00 2.55 C ATOM 1191 C SER A 77 -9.551 20.150 -20.633 1.00 4.43 C ATOM 1192 O SER A 77 -9.752 19.166 -19.922 1.00 40.04 O ATOM 1193 CB SER A 77 -9.114 22.123 -19.157 1.00 61.04 C ATOM 1194 OG SER A 77 -8.349 21.109 -18.530 1.00 72.20 O ATOM 0 H SER A 77 -11.689 20.543 -19.367 1.00 22.13 H new ATOM 0 HA SER A 77 -10.043 22.177 -21.095 1.00 2.55 H new ATOM 0 HB2 SER A 77 -8.449 22.852 -19.619 1.00 61.04 H new ATOM 0 HB3 SER A 77 -9.701 22.656 -18.409 1.00 61.04 H new ATOM 0 HG SER A 77 -7.760 21.512 -17.858 1.00 72.20 H new ATOM 1200 N LYS A 78 -8.903 20.086 -21.791 1.00 71.53 N ATOM 1201 CA LYS A 78 -8.377 18.826 -22.304 1.00 71.50 C ATOM 1202 C LYS A 78 -7.243 18.310 -21.422 1.00 42.43 C ATOM 1203 O LYS A 78 -6.924 17.122 -21.439 1.00 63.44 O ATOM 1204 CB LYS A 78 -7.880 19.005 -23.740 1.00 33.51 C ATOM 1205 CG LYS A 78 -8.987 19.311 -24.733 1.00 62.41 C ATOM 1206 CD LYS A 78 -8.431 19.569 -26.125 1.00 54.12 C ATOM 1207 CE LYS A 78 -8.860 20.929 -26.653 1.00 54.02 C ATOM 1208 NZ LYS A 78 -7.990 21.389 -27.771 1.00 12.53 N ATOM 0 H LYS A 78 -8.729 20.892 -22.392 1.00 71.53 H new ATOM 0 HA LYS A 78 -9.183 18.093 -22.294 1.00 71.50 H new ATOM 0 HB2 LYS A 78 -7.148 19.812 -23.764 1.00 33.51 H new ATOM 0 HB3 LYS A 78 -7.364 18.097 -24.053 1.00 33.51 H new ATOM 0 HG2 LYS A 78 -9.687 18.476 -24.768 1.00 62.41 H new ATOM 0 HG3 LYS A 78 -9.548 20.183 -24.397 1.00 62.41 H new ATOM 0 HD2 LYS A 78 -7.343 19.514 -26.099 1.00 54.12 H new ATOM 0 HD3 LYS A 78 -8.773 18.789 -26.805 1.00 54.12 H new ATOM 0 HE2 LYS A 78 -9.894 20.876 -26.995 1.00 54.02 H new ATOM 0 HE3 LYS A 78 -8.829 21.659 -25.844 1.00 54.02 H new ATOM 0 HZ1 LYS A 78 -8.315 22.319 -28.103 1.00 12.53 H new ATOM 0 HZ2 LYS A 78 -7.008 21.464 -27.438 1.00 12.53 H new ATOM 0 HZ3 LYS A 78 -8.039 20.705 -28.553 1.00 12.53 H new ATOM 1222 N GLU A 79 -6.642 19.211 -20.653 1.00 20.14 N ATOM 1223 CA GLU A 79 -5.545 18.846 -19.764 1.00 42.14 C ATOM 1224 C GLU A 79 -6.029 17.915 -18.656 1.00 60.13 C ATOM 1225 O GLU A 79 -5.552 16.787 -18.526 1.00 62.10 O ATOM 1226 CB GLU A 79 -4.915 20.099 -19.153 1.00 30.03 C ATOM 1227 CG GLU A 79 -4.510 21.141 -20.183 1.00 13.24 C ATOM 1228 CD GLU A 79 -3.290 21.936 -19.759 1.00 12.21 C ATOM 1229 OE1 GLU A 79 -3.415 23.168 -19.590 1.00 53.24 O ATOM 1230 OE2 GLU A 79 -2.211 21.329 -19.596 1.00 54.45 O ATOM 0 H GLU A 79 -6.896 20.199 -20.627 1.00 20.14 H new ATOM 0 HA GLU A 79 -4.793 18.321 -20.354 1.00 42.14 H new ATOM 0 HB2 GLU A 79 -5.621 20.547 -18.454 1.00 30.03 H new ATOM 0 HB3 GLU A 79 -4.036 19.809 -18.577 1.00 30.03 H new ATOM 0 HG2 GLU A 79 -4.305 20.647 -21.133 1.00 13.24 H new ATOM 0 HG3 GLU A 79 -5.343 21.823 -20.351 1.00 13.24 H new ATOM 1237 N ILE A 80 -6.978 18.395 -17.861 1.00 44.23 N ATOM 1238 CA ILE A 80 -7.528 17.606 -16.766 1.00 14.30 C ATOM 1239 C ILE A 80 -8.304 16.403 -17.289 1.00 71.55 C ATOM 1240 O ILE A 80 -8.350 15.353 -16.647 1.00 64.24 O ATOM 1241 CB ILE A 80 -8.455 18.452 -15.873 1.00 54.31 C ATOM 1242 CG1 ILE A 80 -8.810 17.685 -14.597 1.00 23.24 C ATOM 1243 CG2 ILE A 80 -9.716 18.837 -16.633 1.00 62.33 C ATOM 1244 CD1 ILE A 80 -7.910 18.012 -13.426 1.00 63.52 C ATOM 0 H ILE A 80 -7.382 19.327 -17.954 1.00 44.23 H new ATOM 0 HA ILE A 80 -6.682 17.259 -16.173 1.00 14.30 H new ATOM 0 HB ILE A 80 -7.930 19.365 -15.592 1.00 54.31 H new ATOM 0 HG12 ILE A 80 -9.842 17.906 -14.325 1.00 23.24 H new ATOM 0 HG13 ILE A 80 -8.756 16.615 -14.799 1.00 23.24 H new ATOM 0 HG21 ILE A 80 -10.361 19.434 -15.989 1.00 62.33 H new ATOM 0 HG22 ILE A 80 -9.446 19.418 -17.515 1.00 62.33 H new ATOM 0 HG23 ILE A 80 -10.245 17.935 -16.940 1.00 62.33 H new ATOM 0 HD11 ILE A 80 -8.220 17.432 -12.556 1.00 63.52 H new ATOM 0 HD12 ILE A 80 -6.879 17.764 -13.679 1.00 63.52 H new ATOM 0 HD13 ILE A 80 -7.982 19.075 -13.198 1.00 63.52 H new ATOM 1256 N ASP A 81 -8.911 16.562 -18.460 1.00 71.22 N ATOM 1257 CA ASP A 81 -9.683 15.487 -19.073 1.00 33.41 C ATOM 1258 C ASP A 81 -8.812 14.257 -19.306 1.00 62.45 C ATOM 1259 O ASP A 81 -9.192 13.139 -18.958 1.00 33.20 O ATOM 1260 CB ASP A 81 -10.289 15.956 -20.396 1.00 43.14 C ATOM 1261 CG ASP A 81 -11.158 14.896 -21.044 1.00 73.32 C ATOM 1262 OD1 ASP A 81 -10.600 13.898 -21.549 1.00 14.51 O ATOM 1263 OD2 ASP A 81 -12.396 15.061 -21.044 1.00 24.43 O ATOM 0 H ASP A 81 -8.883 17.425 -19.004 1.00 71.22 H new ATOM 0 HA ASP A 81 -10.488 15.216 -18.390 1.00 33.41 H new ATOM 0 HB2 ASP A 81 -10.884 16.853 -20.222 1.00 43.14 H new ATOM 0 HB3 ASP A 81 -9.488 16.233 -21.081 1.00 43.14 H new ATOM 1268 N MET A 82 -7.642 14.471 -19.900 1.00 70.24 N ATOM 1269 CA MET A 82 -6.716 13.379 -20.179 1.00 61.34 C ATOM 1270 C MET A 82 -6.157 12.795 -18.886 1.00 24.41 C ATOM 1271 O MET A 82 -6.078 11.577 -18.727 1.00 20.45 O ATOM 1272 CB MET A 82 -5.572 13.867 -21.069 1.00 64.41 C ATOM 1273 CG MET A 82 -5.995 14.158 -22.500 1.00 12.20 C ATOM 1274 SD MET A 82 -6.115 12.666 -23.506 1.00 12.53 S ATOM 1275 CE MET A 82 -7.205 13.226 -24.813 1.00 25.25 C ATOM 0 H MET A 82 -7.313 15.390 -20.197 1.00 70.24 H new ATOM 0 HA MET A 82 -7.265 12.596 -20.702 1.00 61.34 H new ATOM 0 HB2 MET A 82 -5.145 14.771 -20.634 1.00 64.41 H new ATOM 0 HB3 MET A 82 -4.784 13.114 -21.078 1.00 64.41 H new ATOM 0 HG2 MET A 82 -6.960 14.666 -22.494 1.00 12.20 H new ATOM 0 HG3 MET A 82 -5.278 14.842 -22.955 1.00 12.20 H new ATOM 0 HE1 MET A 82 -7.376 12.412 -25.518 1.00 25.25 H new ATOM 0 HE2 MET A 82 -8.156 13.540 -24.384 1.00 25.25 H new ATOM 0 HE3 MET A 82 -6.747 14.067 -25.334 1.00 25.25 H new ATOM 1285 N ALA A 83 -5.770 13.672 -17.965 1.00 73.34 N ATOM 1286 CA ALA A 83 -5.220 13.242 -16.685 1.00 43.12 C ATOM 1287 C ALA A 83 -6.174 12.295 -15.967 1.00 51.45 C ATOM 1288 O ALA A 83 -5.761 11.259 -15.447 1.00 53.01 O ATOM 1289 CB ALA A 83 -4.914 14.449 -15.812 1.00 14.01 C ATOM 0 H ALA A 83 -5.827 14.684 -18.081 1.00 73.34 H new ATOM 0 HA ALA A 83 -4.293 12.702 -16.878 1.00 43.12 H new ATOM 0 HB1 ALA A 83 -4.504 14.114 -14.859 1.00 14.01 H new ATOM 0 HB2 ALA A 83 -4.188 15.087 -16.315 1.00 14.01 H new ATOM 0 HB3 ALA A 83 -5.831 15.012 -15.635 1.00 14.01 H new ATOM 1295 N ILE A 84 -7.452 12.658 -15.942 1.00 55.44 N ATOM 1296 CA ILE A 84 -8.466 11.839 -15.287 1.00 13.41 C ATOM 1297 C ILE A 84 -8.583 10.472 -15.952 1.00 63.20 C ATOM 1298 O ILE A 84 -8.474 9.437 -15.294 1.00 3.35 O ATOM 1299 CB ILE A 84 -9.844 12.527 -15.308 1.00 15.23 C ATOM 1300 CG1 ILE A 84 -9.781 13.867 -14.572 1.00 33.32 C ATOM 1301 CG2 ILE A 84 -10.896 11.623 -14.682 1.00 73.24 C ATOM 1302 CD1 ILE A 84 -10.757 14.894 -15.101 1.00 10.23 C ATOM 0 H ILE A 84 -7.810 13.513 -16.367 1.00 55.44 H new ATOM 0 HA ILE A 84 -8.148 11.711 -14.252 1.00 13.41 H new ATOM 0 HB ILE A 84 -10.124 12.716 -16.344 1.00 15.23 H new ATOM 0 HG12 ILE A 84 -9.980 13.700 -13.513 1.00 33.32 H new ATOM 0 HG13 ILE A 84 -8.770 14.266 -14.647 1.00 33.32 H new ATOM 0 HG21 ILE A 84 -11.865 12.122 -14.704 1.00 73.24 H new ATOM 0 HG22 ILE A 84 -10.956 10.691 -15.244 1.00 73.24 H new ATOM 0 HG23 ILE A 84 -10.622 11.407 -13.649 1.00 73.24 H new ATOM 0 HD11 ILE A 84 -10.656 15.818 -14.532 1.00 10.23 H new ATOM 0 HD12 ILE A 84 -10.545 15.090 -16.152 1.00 10.23 H new ATOM 0 HD13 ILE A 84 -11.774 14.515 -15.000 1.00 10.23 H new ATOM 1314 N VAL A 85 -8.803 10.475 -17.264 1.00 14.43 N ATOM 1315 CA VAL A 85 -8.930 9.236 -18.020 1.00 53.54 C ATOM 1316 C VAL A 85 -7.755 8.303 -17.749 1.00 41.44 C ATOM 1317 O VAL A 85 -7.893 7.080 -17.805 1.00 24.21 O ATOM 1318 CB VAL A 85 -9.019 9.507 -19.533 1.00 3.23 C ATOM 1319 CG1 VAL A 85 -9.116 8.202 -20.307 1.00 53.01 C ATOM 1320 CG2 VAL A 85 -10.203 10.410 -19.845 1.00 13.24 C ATOM 0 H VAL A 85 -8.897 11.322 -17.824 1.00 14.43 H new ATOM 0 HA VAL A 85 -9.852 8.758 -17.690 1.00 53.54 H new ATOM 0 HB VAL A 85 -8.109 10.019 -19.845 1.00 3.23 H new ATOM 0 HG11 VAL A 85 -9.178 8.416 -21.374 1.00 53.01 H new ATOM 0 HG12 VAL A 85 -8.232 7.595 -20.109 1.00 53.01 H new ATOM 0 HG13 VAL A 85 -10.007 7.658 -19.993 1.00 53.01 H new ATOM 0 HG21 VAL A 85 -10.250 10.591 -20.919 1.00 13.24 H new ATOM 0 HG22 VAL A 85 -11.124 9.928 -19.517 1.00 13.24 H new ATOM 0 HG23 VAL A 85 -10.084 11.359 -19.322 1.00 13.24 H new ATOM 1330 N THR A 86 -6.599 8.887 -17.455 1.00 12.43 N ATOM 1331 CA THR A 86 -5.399 8.109 -17.177 1.00 21.44 C ATOM 1332 C THR A 86 -5.510 7.386 -15.839 1.00 63.24 C ATOM 1333 O THR A 86 -5.400 6.161 -15.773 1.00 24.20 O ATOM 1334 CB THR A 86 -4.142 9.000 -17.161 1.00 65.11 C ATOM 1335 OG1 THR A 86 -3.961 9.613 -18.443 1.00 61.33 O ATOM 1336 CG2 THR A 86 -2.907 8.189 -16.803 1.00 72.13 C ATOM 0 H THR A 86 -6.468 9.897 -17.403 1.00 12.43 H new ATOM 0 HA THR A 86 -5.306 7.376 -17.978 1.00 21.44 H new ATOM 0 HB THR A 86 -4.281 9.772 -16.404 1.00 65.11 H new ATOM 0 HG1 THR A 86 -4.658 10.287 -18.585 1.00 61.33 H new ATOM 0 HG21 THR A 86 -2.033 8.840 -16.798 1.00 72.13 H new ATOM 0 HG22 THR A 86 -3.036 7.747 -15.815 1.00 72.13 H new ATOM 0 HG23 THR A 86 -2.766 7.397 -17.539 1.00 72.13 H new ATOM 1344 N LEU A 87 -5.731 8.151 -14.775 1.00 61.33 N ATOM 1345 CA LEU A 87 -5.859 7.582 -13.437 1.00 43.14 C ATOM 1346 C LEU A 87 -6.879 6.449 -13.424 1.00 55.13 C ATOM 1347 O LEU A 87 -6.735 5.478 -12.679 1.00 0.44 O ATOM 1348 CB LEU A 87 -6.269 8.665 -12.439 1.00 43.12 C ATOM 1349 CG LEU A 87 -5.144 9.561 -11.920 1.00 24.11 C ATOM 1350 CD1 LEU A 87 -5.698 10.635 -10.997 1.00 42.34 C ATOM 1351 CD2 LEU A 87 -4.089 8.732 -11.204 1.00 70.10 C ATOM 0 H LEU A 87 -5.825 9.166 -14.813 1.00 61.33 H new ATOM 0 HA LEU A 87 -4.890 7.177 -13.146 1.00 43.14 H new ATOM 0 HB2 LEU A 87 -7.022 9.297 -12.909 1.00 43.12 H new ATOM 0 HB3 LEU A 87 -6.745 8.183 -11.585 1.00 43.12 H new ATOM 0 HG LEU A 87 -4.675 10.052 -12.773 1.00 24.11 H new ATOM 0 HD11 LEU A 87 -4.882 11.262 -10.638 1.00 42.34 H new ATOM 0 HD12 LEU A 87 -6.415 11.249 -11.542 1.00 42.34 H new ATOM 0 HD13 LEU A 87 -6.194 10.165 -10.148 1.00 42.34 H new ATOM 0 HD21 LEU A 87 -3.296 9.386 -10.841 1.00 70.10 H new ATOM 0 HD22 LEU A 87 -4.545 8.213 -10.361 1.00 70.10 H new ATOM 0 HD23 LEU A 87 -3.669 8.002 -11.896 1.00 70.10 H new ATOM 1363 N LYS A 88 -7.909 6.576 -14.253 1.00 12.41 N ATOM 1364 CA LYS A 88 -8.953 5.561 -14.339 1.00 62.21 C ATOM 1365 C LYS A 88 -8.408 4.271 -14.942 1.00 71.32 C ATOM 1366 O LYS A 88 -8.501 3.202 -14.336 1.00 5.52 O ATOM 1367 CB LYS A 88 -10.124 6.075 -15.179 1.00 42.22 C ATOM 1368 CG LYS A 88 -10.725 7.369 -14.659 1.00 71.11 C ATOM 1369 CD LYS A 88 -11.446 8.131 -15.758 1.00 61.53 C ATOM 1370 CE LYS A 88 -12.911 8.351 -15.415 1.00 1.31 C ATOM 1371 NZ LYS A 88 -13.494 9.491 -16.176 1.00 70.13 N ATOM 0 H LYS A 88 -8.044 7.373 -14.876 1.00 12.41 H new ATOM 0 HA LYS A 88 -9.304 5.349 -13.329 1.00 62.21 H new ATOM 0 HB2 LYS A 88 -9.785 6.228 -16.204 1.00 42.22 H new ATOM 0 HB3 LYS A 88 -10.900 5.311 -15.210 1.00 42.22 H new ATOM 0 HG2 LYS A 88 -11.422 7.148 -13.851 1.00 71.11 H new ATOM 0 HG3 LYS A 88 -9.937 7.994 -14.239 1.00 71.11 H new ATOM 0 HD2 LYS A 88 -10.959 9.094 -15.914 1.00 61.53 H new ATOM 0 HD3 LYS A 88 -11.369 7.579 -16.695 1.00 61.53 H new ATOM 0 HE2 LYS A 88 -13.475 7.444 -15.632 1.00 1.31 H new ATOM 0 HE3 LYS A 88 -13.009 8.540 -14.346 1.00 1.31 H new ATOM 0 HZ1 LYS A 88 -13.805 10.229 -15.512 1.00 70.13 H new ATOM 0 HZ2 LYS A 88 -12.776 9.884 -16.818 1.00 70.13 H new ATOM 0 HZ3 LYS A 88 -14.309 9.158 -16.730 1.00 70.13 H new ATOM 1385 N VAL A 89 -7.838 4.376 -16.138 1.00 71.02 N ATOM 1386 CA VAL A 89 -7.276 3.217 -16.822 1.00 21.14 C ATOM 1387 C VAL A 89 -6.095 2.642 -16.048 1.00 14.14 C ATOM 1388 O VAL A 89 -5.752 1.469 -16.199 1.00 4.05 O ATOM 1389 CB VAL A 89 -6.815 3.576 -18.247 1.00 51.13 C ATOM 1390 CG1 VAL A 89 -7.988 4.073 -19.078 1.00 52.15 C ATOM 1391 CG2 VAL A 89 -5.705 4.614 -18.203 1.00 13.14 C ATOM 0 H VAL A 89 -7.753 5.252 -16.654 1.00 71.02 H new ATOM 0 HA VAL A 89 -8.067 2.469 -16.881 1.00 21.14 H new ATOM 0 HB VAL A 89 -6.421 2.676 -18.720 1.00 51.13 H new ATOM 0 HG11 VAL A 89 -7.643 4.322 -20.082 1.00 52.15 H new ATOM 0 HG12 VAL A 89 -8.748 3.294 -19.138 1.00 52.15 H new ATOM 0 HG13 VAL A 89 -8.415 4.960 -18.611 1.00 52.15 H new ATOM 0 HG21 VAL A 89 -5.392 4.855 -19.219 1.00 13.14 H new ATOM 0 HG22 VAL A 89 -6.070 5.516 -17.712 1.00 13.14 H new ATOM 0 HG23 VAL A 89 -4.856 4.216 -17.647 1.00 13.14 H new ATOM 1401 N PHE A 90 -5.477 3.474 -15.217 1.00 21.03 N ATOM 1402 CA PHE A 90 -4.334 3.049 -14.418 1.00 21.22 C ATOM 1403 C PHE A 90 -4.770 2.097 -13.308 1.00 61.24 C ATOM 1404 O PHE A 90 -4.163 1.046 -13.104 1.00 13.01 O ATOM 1405 CB PHE A 90 -3.626 4.264 -13.814 1.00 52.10 C ATOM 1406 CG PHE A 90 -2.129 4.142 -13.805 1.00 32.14 C ATOM 1407 CD1 PHE A 90 -1.332 5.211 -14.181 1.00 43.31 C ATOM 1408 CD2 PHE A 90 -1.519 2.959 -13.421 1.00 31.00 C ATOM 1409 CE1 PHE A 90 0.045 5.104 -14.174 1.00 24.11 C ATOM 1410 CE2 PHE A 90 -0.142 2.846 -13.411 1.00 62.43 C ATOM 1411 CZ PHE A 90 0.642 3.918 -13.789 1.00 44.01 C ATOM 0 H PHE A 90 -5.749 4.447 -15.079 1.00 21.03 H new ATOM 0 HA PHE A 90 -3.641 2.522 -15.074 1.00 21.22 H new ATOM 0 HB2 PHE A 90 -3.907 5.155 -14.376 1.00 52.10 H new ATOM 0 HB3 PHE A 90 -3.977 4.408 -12.792 1.00 52.10 H new ATOM 0 HD1 PHE A 90 -1.793 6.140 -14.483 1.00 43.31 H new ATOM 0 HD2 PHE A 90 -2.126 2.116 -13.126 1.00 31.00 H new ATOM 0 HE1 PHE A 90 0.654 5.946 -14.469 1.00 24.11 H new ATOM 0 HE2 PHE A 90 0.321 1.919 -13.107 1.00 62.43 H new ATOM 0 HZ PHE A 90 1.718 3.830 -13.784 1.00 44.01 H new ATOM 1421 N ALA A 91 -5.826 2.473 -12.595 1.00 74.02 N ATOM 1422 CA ALA A 91 -6.344 1.653 -11.507 1.00 73.45 C ATOM 1423 C ALA A 91 -6.948 0.356 -12.037 1.00 54.21 C ATOM 1424 O ALA A 91 -6.841 -0.694 -11.403 1.00 51.24 O ATOM 1425 CB ALA A 91 -7.379 2.430 -10.706 1.00 0.23 C ATOM 0 H ALA A 91 -6.340 3.340 -12.751 1.00 74.02 H new ATOM 0 HA ALA A 91 -5.512 1.395 -10.852 1.00 73.45 H new ATOM 0 HB1 ALA A 91 -7.757 1.805 -9.897 1.00 0.23 H new ATOM 0 HB2 ALA A 91 -6.919 3.325 -10.288 1.00 0.23 H new ATOM 0 HB3 ALA A 91 -8.204 2.717 -11.358 1.00 0.23 H new ATOM 1431 N VAL A 92 -7.582 0.437 -13.202 1.00 40.02 N ATOM 1432 CA VAL A 92 -8.202 -0.730 -13.817 1.00 75.03 C ATOM 1433 C VAL A 92 -7.159 -1.624 -14.477 1.00 62.41 C ATOM 1434 O VAL A 92 -6.976 -2.776 -14.085 1.00 63.25 O ATOM 1435 CB VAL A 92 -9.250 -0.320 -14.870 1.00 55.43 C ATOM 1436 CG1 VAL A 92 -9.862 -1.550 -15.522 1.00 71.34 C ATOM 1437 CG2 VAL A 92 -10.327 0.550 -14.237 1.00 60.31 C ATOM 0 H VAL A 92 -7.680 1.299 -13.739 1.00 40.02 H new ATOM 0 HA VAL A 92 -8.696 -1.282 -13.018 1.00 75.03 H new ATOM 0 HB VAL A 92 -8.753 0.262 -15.646 1.00 55.43 H new ATOM 0 HG11 VAL A 92 -10.600 -1.240 -16.262 1.00 71.34 H new ATOM 0 HG12 VAL A 92 -9.079 -2.131 -16.010 1.00 71.34 H new ATOM 0 HG13 VAL A 92 -10.347 -2.162 -14.761 1.00 71.34 H new ATOM 0 HG21 VAL A 92 -11.059 0.831 -14.994 1.00 60.31 H new ATOM 0 HG22 VAL A 92 -10.823 -0.006 -13.441 1.00 60.31 H new ATOM 0 HG23 VAL A 92 -9.871 1.449 -13.822 1.00 60.31 H new ATOM 1447 N ALA A 93 -6.475 -1.085 -15.481 1.00 3.54 N ATOM 1448 CA ALA A 93 -5.447 -1.831 -16.195 1.00 75.14 C ATOM 1449 C ALA A 93 -4.274 -2.163 -15.278 1.00 31.53 C ATOM 1450 O ALA A 93 -3.430 -2.994 -15.609 1.00 42.22 O ATOM 1451 CB ALA A 93 -4.967 -1.045 -17.406 1.00 51.21 C ATOM 0 H ALA A 93 -6.615 -0.133 -15.818 1.00 3.54 H new ATOM 0 HA ALA A 93 -5.885 -2.769 -16.536 1.00 75.14 H new ATOM 0 HB1 ALA A 93 -4.199 -1.615 -17.929 1.00 51.21 H new ATOM 0 HB2 ALA A 93 -5.806 -0.864 -18.078 1.00 51.21 H new ATOM 0 HB3 ALA A 93 -4.552 -0.092 -17.080 1.00 51.21 H new ATOM 1457 N GLY A 94 -4.226 -1.505 -14.123 1.00 43.25 N ATOM 1458 CA GLY A 94 -3.152 -1.743 -13.178 1.00 21.13 C ATOM 1459 C GLY A 94 -3.565 -2.671 -12.052 1.00 11.23 C ATOM 1460 O GLY A 94 -3.136 -3.824 -11.998 1.00 3.03 O ATOM 0 H GLY A 94 -4.912 -0.811 -13.826 1.00 43.25 H new ATOM 0 HA2 GLY A 94 -2.298 -2.172 -13.703 1.00 21.13 H new ATOM 0 HA3 GLY A 94 -2.824 -0.792 -12.759 1.00 21.13 H new ATOM 1464 N LEU A 95 -4.400 -2.167 -11.149 1.00 20.15 N ATOM 1465 CA LEU A 95 -4.871 -2.957 -10.017 1.00 62.51 C ATOM 1466 C LEU A 95 -5.615 -4.200 -10.493 1.00 41.43 C ATOM 1467 O LEU A 95 -5.441 -5.290 -9.945 1.00 63.04 O ATOM 1468 CB LEU A 95 -5.782 -2.114 -9.124 1.00 30.25 C ATOM 1469 CG LEU A 95 -5.476 -2.152 -7.626 1.00 32.23 C ATOM 1470 CD1 LEU A 95 -5.393 -3.589 -7.135 1.00 74.03 C ATOM 1471 CD2 LEU A 95 -4.181 -1.409 -7.327 1.00 12.41 C ATOM 0 H LEU A 95 -4.764 -1.215 -11.179 1.00 20.15 H new ATOM 0 HA LEU A 95 -4.002 -3.274 -9.441 1.00 62.51 H new ATOM 0 HB2 LEU A 95 -5.728 -1.078 -9.459 1.00 30.25 H new ATOM 0 HB3 LEU A 95 -6.810 -2.444 -9.273 1.00 30.25 H new ATOM 0 HG LEU A 95 -6.288 -1.654 -7.096 1.00 32.23 H new ATOM 0 HD11 LEU A 95 -5.175 -3.597 -6.067 1.00 74.03 H new ATOM 0 HD12 LEU A 95 -6.344 -4.090 -7.314 1.00 74.03 H new ATOM 0 HD13 LEU A 95 -4.601 -4.111 -7.671 1.00 74.03 H new ATOM 0 HD21 LEU A 95 -3.979 -1.446 -6.257 1.00 12.41 H new ATOM 0 HD22 LEU A 95 -3.359 -1.878 -7.868 1.00 12.41 H new ATOM 0 HD23 LEU A 95 -4.277 -0.370 -7.642 1.00 12.41 H new ATOM 1483 N LEU A 96 -6.445 -4.030 -11.517 1.00 63.21 N ATOM 1484 CA LEU A 96 -7.215 -5.139 -12.070 1.00 14.21 C ATOM 1485 C LEU A 96 -6.454 -5.821 -13.202 1.00 71.41 C ATOM 1486 O LEU A 96 -6.909 -6.820 -13.756 1.00 74.20 O ATOM 1487 CB LEU A 96 -8.569 -4.641 -12.578 1.00 53.32 C ATOM 1488 CG LEU A 96 -9.791 -5.073 -11.766 1.00 51.21 C ATOM 1489 CD1 LEU A 96 -9.845 -6.588 -11.649 1.00 13.30 C ATOM 1490 CD2 LEU A 96 -9.770 -4.430 -10.388 1.00 33.44 C ATOM 0 H LEU A 96 -6.602 -3.135 -11.981 1.00 63.21 H new ATOM 0 HA LEU A 96 -7.377 -5.868 -11.276 1.00 14.21 H new ATOM 0 HB2 LEU A 96 -8.545 -3.552 -12.609 1.00 53.32 H new ATOM 0 HB3 LEU A 96 -8.699 -4.986 -13.604 1.00 53.32 H new ATOM 0 HG LEU A 96 -10.687 -4.737 -12.287 1.00 51.21 H new ATOM 0 HD11 LEU A 96 -10.721 -6.877 -11.068 1.00 13.30 H new ATOM 0 HD12 LEU A 96 -9.908 -7.028 -12.644 1.00 13.30 H new ATOM 0 HD13 LEU A 96 -8.944 -6.947 -11.151 1.00 13.30 H new ATOM 0 HD21 LEU A 96 -10.647 -4.749 -9.824 1.00 33.44 H new ATOM 0 HD22 LEU A 96 -8.868 -4.735 -9.858 1.00 33.44 H new ATOM 0 HD23 LEU A 96 -9.780 -3.345 -10.493 1.00 33.44 H new ATOM 1502 N ASN A 97 -5.290 -5.274 -13.538 1.00 63.25 N ATOM 1503 CA ASN A 97 -4.464 -5.831 -14.604 1.00 72.31 C ATOM 1504 C ASN A 97 -5.281 -6.035 -15.876 1.00 53.13 C ATOM 1505 O ASN A 97 -5.009 -6.943 -16.661 1.00 21.12 O ATOM 1506 CB ASN A 97 -3.849 -7.160 -14.159 1.00 50.03 C ATOM 1507 CG ASN A 97 -3.098 -7.040 -12.847 1.00 24.21 C ATOM 1508 OD1 ASN A 97 -2.181 -6.229 -12.717 1.00 24.22 O ATOM 1509 ND2 ASN A 97 -3.484 -7.849 -11.868 1.00 2.42 N ATOM 0 H ASN A 97 -4.898 -4.447 -13.088 1.00 63.25 H new ATOM 0 HA ASN A 97 -3.664 -5.122 -14.818 1.00 72.31 H new ATOM 0 HB2 ASN A 97 -4.638 -7.905 -14.056 1.00 50.03 H new ATOM 0 HB3 ASN A 97 -3.169 -7.519 -14.932 1.00 50.03 H new ATOM 0 HD21 ASN A 97 -3.015 -7.814 -10.963 1.00 2.42 H new ATOM 0 HD22 ASN A 97 -4.249 -8.506 -12.021 1.00 2.42 H new ATOM 1516 N MET A 98 -6.284 -5.185 -16.072 1.00 34.12 N ATOM 1517 CA MET A 98 -7.139 -5.272 -17.249 1.00 14.31 C ATOM 1518 C MET A 98 -6.373 -4.882 -18.508 1.00 22.52 C ATOM 1519 O MET A 98 -5.652 -3.883 -18.525 1.00 23.52 O ATOM 1520 CB MET A 98 -8.364 -4.370 -17.084 1.00 14.12 C ATOM 1521 CG MET A 98 -9.503 -5.025 -16.320 1.00 74.22 C ATOM 1522 SD MET A 98 -10.952 -5.319 -17.353 1.00 74.31 S ATOM 1523 CE MET A 98 -10.963 -7.110 -17.417 1.00 23.12 C ATOM 0 H MET A 98 -6.524 -4.429 -15.431 1.00 34.12 H new ATOM 0 HA MET A 98 -7.469 -6.306 -17.351 1.00 14.31 H new ATOM 0 HB2 MET A 98 -8.067 -3.459 -16.565 1.00 14.12 H new ATOM 0 HB3 MET A 98 -8.722 -4.073 -18.070 1.00 14.12 H new ATOM 0 HG2 MET A 98 -9.159 -5.972 -15.904 1.00 74.22 H new ATOM 0 HG3 MET A 98 -9.783 -4.391 -15.479 1.00 74.22 H new ATOM 0 HE1 MET A 98 -11.805 -7.447 -18.022 1.00 23.12 H new ATOM 0 HE2 MET A 98 -10.032 -7.464 -17.860 1.00 23.12 H new ATOM 0 HE3 MET A 98 -11.059 -7.510 -16.407 1.00 23.12 H new ATOM 1533 N THR A 99 -6.531 -5.676 -19.563 1.00 14.15 N ATOM 1534 CA THR A 99 -5.853 -5.414 -20.826 1.00 33.52 C ATOM 1535 C THR A 99 -6.223 -4.042 -21.375 1.00 1.11 C ATOM 1536 O THR A 99 -5.352 -3.212 -21.640 1.00 53.15 O ATOM 1537 CB THR A 99 -6.195 -6.485 -21.879 1.00 64.45 C ATOM 1538 OG1 THR A 99 -7.380 -7.191 -21.495 1.00 15.32 O ATOM 1539 CG2 THR A 99 -5.045 -7.467 -22.045 1.00 60.01 C ATOM 0 H THR A 99 -7.123 -6.506 -19.567 1.00 14.15 H new ATOM 0 HA THR A 99 -4.783 -5.443 -20.622 1.00 33.52 H new ATOM 0 HB THR A 99 -6.365 -5.984 -22.832 1.00 64.45 H new ATOM 0 HG1 THR A 99 -7.591 -7.869 -22.171 1.00 15.32 H new ATOM 0 HG21 THR A 99 -5.310 -8.214 -22.794 1.00 60.01 H new ATOM 0 HG22 THR A 99 -4.152 -6.931 -22.367 1.00 60.01 H new ATOM 0 HG23 THR A 99 -4.848 -7.961 -21.093 1.00 60.01 H new ATOM 1547 N VAL A 100 -7.520 -3.805 -21.542 1.00 72.25 N ATOM 1548 CA VAL A 100 -8.006 -2.531 -22.057 1.00 61.24 C ATOM 1549 C VAL A 100 -7.554 -2.313 -23.497 1.00 51.35 C ATOM 1550 O VAL A 100 -6.514 -2.822 -23.916 1.00 21.13 O ATOM 1551 CB VAL A 100 -7.517 -1.353 -21.194 1.00 74.42 C ATOM 1552 CG1 VAL A 100 -8.222 -0.067 -21.597 1.00 71.22 C ATOM 1553 CG2 VAL A 100 -7.734 -1.650 -19.718 1.00 2.34 C ATOM 0 H VAL A 100 -8.254 -4.480 -21.328 1.00 72.25 H new ATOM 0 HA VAL A 100 -9.095 -2.570 -22.022 1.00 61.24 H new ATOM 0 HB VAL A 100 -6.448 -1.220 -21.362 1.00 74.42 H new ATOM 0 HG11 VAL A 100 -7.864 0.754 -20.976 1.00 71.22 H new ATOM 0 HG12 VAL A 100 -8.011 0.151 -22.644 1.00 71.22 H new ATOM 0 HG13 VAL A 100 -9.297 -0.183 -21.460 1.00 71.22 H new ATOM 0 HG21 VAL A 100 -7.383 -0.808 -19.122 1.00 2.34 H new ATOM 0 HG22 VAL A 100 -8.796 -1.809 -19.531 1.00 2.34 H new ATOM 0 HG23 VAL A 100 -7.179 -2.546 -19.442 1.00 2.34 H new ATOM 1563 N SER A 101 -8.343 -1.554 -24.251 1.00 51.34 N ATOM 1564 CA SER A 101 -8.027 -1.271 -25.646 1.00 22.22 C ATOM 1565 C SER A 101 -7.891 0.231 -25.878 1.00 51.24 C ATOM 1566 O SER A 101 -7.074 0.676 -26.685 1.00 33.11 O ATOM 1567 CB SER A 101 -9.108 -1.845 -26.563 1.00 32.44 C ATOM 1568 OG SER A 101 -9.554 -3.106 -26.098 1.00 72.42 O ATOM 0 H SER A 101 -9.206 -1.124 -23.919 1.00 51.34 H new ATOM 0 HA SER A 101 -7.074 -1.745 -25.880 1.00 22.22 H new ATOM 0 HB2 SER A 101 -9.950 -1.154 -26.615 1.00 32.44 H new ATOM 0 HB3 SER A 101 -8.715 -1.945 -27.575 1.00 32.44 H new ATOM 0 HG SER A 101 -10.246 -3.451 -26.700 1.00 72.42 H new ATOM 1574 N THR A 102 -8.699 1.009 -25.164 1.00 51.20 N ATOM 1575 CA THR A 102 -8.672 2.461 -25.292 1.00 20.44 C ATOM 1576 C THR A 102 -8.983 3.135 -23.961 1.00 25.13 C ATOM 1577 O THR A 102 -9.803 2.648 -23.183 1.00 44.22 O ATOM 1578 CB THR A 102 -9.678 2.950 -26.350 1.00 11.42 C ATOM 1579 OG1 THR A 102 -11.016 2.776 -25.872 1.00 2.14 O ATOM 1580 CG2 THR A 102 -9.499 2.193 -27.658 1.00 21.12 C ATOM 0 H THR A 102 -9.380 0.658 -24.491 1.00 51.20 H new ATOM 0 HA THR A 102 -7.665 2.733 -25.607 1.00 20.44 H new ATOM 0 HB THR A 102 -9.493 4.009 -26.533 1.00 11.42 H new ATOM 0 HG1 THR A 102 -11.649 3.091 -26.550 1.00 2.14 H new ATOM 0 HG21 THR A 102 -10.221 2.556 -28.390 1.00 21.12 H new ATOM 0 HG22 THR A 102 -8.489 2.352 -28.035 1.00 21.12 H new ATOM 0 HG23 THR A 102 -9.659 1.128 -27.487 1.00 21.12 H new ATOM 1588 N ALA A 103 -8.324 4.261 -23.705 1.00 60.01 N ATOM 1589 CA ALA A 103 -8.533 5.004 -22.469 1.00 32.34 C ATOM 1590 C ALA A 103 -10.016 5.267 -22.230 1.00 75.42 C ATOM 1591 O ALA A 103 -10.481 5.259 -21.090 1.00 52.33 O ATOM 1592 CB ALA A 103 -7.763 6.316 -22.506 1.00 33.32 C ATOM 0 H ALA A 103 -7.641 4.678 -24.338 1.00 60.01 H new ATOM 0 HA ALA A 103 -8.160 4.398 -21.643 1.00 32.34 H new ATOM 0 HB1 ALA A 103 -7.928 6.861 -21.577 1.00 33.32 H new ATOM 0 HB2 ALA A 103 -6.699 6.110 -22.622 1.00 33.32 H new ATOM 0 HB3 ALA A 103 -8.110 6.918 -23.346 1.00 33.32 H new ATOM 1598 N ALA A 104 -10.753 5.498 -23.310 1.00 4.31 N ATOM 1599 CA ALA A 104 -12.184 5.761 -23.217 1.00 62.33 C ATOM 1600 C ALA A 104 -12.938 4.528 -22.731 1.00 32.04 C ATOM 1601 O ALA A 104 -13.843 4.629 -21.902 1.00 62.54 O ATOM 1602 CB ALA A 104 -12.725 6.216 -24.565 1.00 55.02 C ATOM 0 H ALA A 104 -10.383 5.509 -24.261 1.00 4.31 H new ATOM 0 HA ALA A 104 -12.336 6.558 -22.489 1.00 62.33 H new ATOM 0 HB1 ALA A 104 -13.795 6.409 -24.481 1.00 55.02 H new ATOM 0 HB2 ALA A 104 -12.215 7.129 -24.873 1.00 55.02 H new ATOM 0 HB3 ALA A 104 -12.554 5.437 -25.308 1.00 55.02 H new ATOM 1608 N ALA A 105 -12.560 3.365 -23.251 1.00 45.25 N ATOM 1609 CA ALA A 105 -13.200 2.113 -22.869 1.00 72.44 C ATOM 1610 C ALA A 105 -12.995 1.822 -21.386 1.00 44.03 C ATOM 1611 O ALA A 105 -13.951 1.557 -20.658 1.00 33.24 O ATOM 1612 CB ALA A 105 -12.663 0.967 -23.713 1.00 51.35 C ATOM 0 H ALA A 105 -11.813 3.264 -23.938 1.00 45.25 H new ATOM 0 HA ALA A 105 -14.271 2.211 -23.049 1.00 72.44 H new ATOM 0 HB1 ALA A 105 -13.150 0.038 -23.417 1.00 51.35 H new ATOM 0 HB2 ALA A 105 -12.867 1.164 -24.766 1.00 51.35 H new ATOM 0 HB3 ALA A 105 -11.587 0.877 -23.562 1.00 51.35 H new ATOM 1618 N ALA A 106 -11.741 1.873 -20.946 1.00 54.25 N ATOM 1619 CA ALA A 106 -11.412 1.616 -19.550 1.00 2.24 C ATOM 1620 C ALA A 106 -11.994 2.693 -18.640 1.00 63.23 C ATOM 1621 O ALA A 106 -12.281 2.442 -17.471 1.00 22.44 O ATOM 1622 CB ALA A 106 -9.903 1.531 -19.371 1.00 11.14 C ATOM 0 H ALA A 106 -10.938 2.090 -21.536 1.00 54.25 H new ATOM 0 HA ALA A 106 -11.856 0.661 -19.268 1.00 2.24 H new ATOM 0 HB1 ALA A 106 -9.671 1.339 -18.323 1.00 11.14 H new ATOM 0 HB2 ALA A 106 -9.509 0.721 -19.985 1.00 11.14 H new ATOM 0 HB3 ALA A 106 -9.447 2.473 -19.677 1.00 11.14 H new ATOM 1628 N GLU A 107 -12.166 3.893 -19.187 1.00 65.34 N ATOM 1629 CA GLU A 107 -12.713 5.008 -18.424 1.00 41.32 C ATOM 1630 C GLU A 107 -14.210 4.824 -18.189 1.00 11.31 C ATOM 1631 O GLU A 107 -14.713 5.078 -17.095 1.00 44.21 O ATOM 1632 CB GLU A 107 -12.459 6.329 -19.154 1.00 73.23 C ATOM 1633 CG GLU A 107 -13.191 7.512 -18.544 1.00 33.21 C ATOM 1634 CD GLU A 107 -14.261 8.072 -19.460 1.00 54.32 C ATOM 1635 OE1 GLU A 107 -15.441 7.701 -19.288 1.00 15.32 O ATOM 1636 OE2 GLU A 107 -13.920 8.880 -20.349 1.00 55.04 O ATOM 0 H GLU A 107 -11.934 4.117 -20.155 1.00 65.34 H new ATOM 0 HA GLU A 107 -12.211 5.034 -17.457 1.00 41.32 H new ATOM 0 HB2 GLU A 107 -11.389 6.535 -19.153 1.00 73.23 H new ATOM 0 HB3 GLU A 107 -12.762 6.223 -20.196 1.00 73.23 H new ATOM 0 HG2 GLU A 107 -13.648 7.206 -17.603 1.00 33.21 H new ATOM 0 HG3 GLU A 107 -12.472 8.297 -18.309 1.00 33.21 H new ATOM 1643 N ASN A 108 -14.915 4.381 -19.225 1.00 11.44 N ATOM 1644 CA ASN A 108 -16.354 4.164 -19.132 1.00 12.51 C ATOM 1645 C ASN A 108 -16.675 3.063 -18.126 1.00 41.55 C ATOM 1646 O ASN A 108 -17.568 3.210 -17.293 1.00 11.14 O ATOM 1647 CB ASN A 108 -16.926 3.800 -20.503 1.00 44.22 C ATOM 1648 CG ASN A 108 -18.230 4.517 -20.796 1.00 11.22 C ATOM 1649 OD1 ASN A 108 -19.102 4.619 -19.932 1.00 74.51 O ATOM 1650 ND2 ASN A 108 -18.371 5.017 -22.017 1.00 63.45 N ATOM 0 H ASN A 108 -14.514 4.166 -20.138 1.00 11.44 H new ATOM 0 HA ASN A 108 -16.814 5.091 -18.788 1.00 12.51 H new ATOM 0 HB2 ASN A 108 -16.197 4.048 -21.275 1.00 44.22 H new ATOM 0 HB3 ASN A 108 -17.088 2.723 -20.551 1.00 44.22 H new ATOM 0 HD21 ASN A 108 -19.228 5.509 -22.271 1.00 63.45 H new ATOM 0 HD22 ASN A 108 -17.623 4.909 -22.702 1.00 63.45 H new ATOM 1657 N MET A 109 -15.940 1.959 -18.212 1.00 51.24 N ATOM 1658 CA MET A 109 -16.145 0.832 -17.309 1.00 23.24 C ATOM 1659 C MET A 109 -15.807 1.220 -15.873 1.00 74.34 C ATOM 1660 O MET A 109 -16.488 0.809 -14.932 1.00 61.15 O ATOM 1661 CB MET A 109 -15.289 -0.358 -17.743 1.00 74.55 C ATOM 1662 CG MET A 109 -15.308 -1.513 -16.754 1.00 41.42 C ATOM 1663 SD MET A 109 -16.972 -2.135 -16.445 1.00 73.33 S ATOM 1664 CE MET A 109 -16.812 -2.704 -14.754 1.00 35.11 C ATOM 0 H MET A 109 -15.197 1.821 -18.897 1.00 51.24 H new ATOM 0 HA MET A 109 -17.197 0.548 -17.353 1.00 23.24 H new ATOM 0 HB2 MET A 109 -15.640 -0.714 -18.712 1.00 74.55 H new ATOM 0 HB3 MET A 109 -14.260 -0.024 -17.880 1.00 74.55 H new ATOM 0 HG2 MET A 109 -14.686 -2.323 -17.135 1.00 41.42 H new ATOM 0 HG3 MET A 109 -14.865 -1.188 -15.813 1.00 41.42 H new ATOM 0 HE1 MET A 109 -17.684 -2.390 -14.180 1.00 35.11 H new ATOM 0 HE2 MET A 109 -16.742 -3.792 -14.741 1.00 35.11 H new ATOM 0 HE3 MET A 109 -15.913 -2.277 -14.310 1.00 35.11 H new ATOM 1674 N TYR A 110 -14.753 2.011 -15.710 1.00 1.54 N ATOM 1675 CA TYR A 110 -14.324 2.451 -14.388 1.00 5.24 C ATOM 1676 C TYR A 110 -15.421 3.258 -13.699 1.00 73.34 C ATOM 1677 O TYR A 110 -15.717 3.045 -12.523 1.00 4.24 O ATOM 1678 CB TYR A 110 -13.050 3.291 -14.495 1.00 71.32 C ATOM 1679 CG TYR A 110 -12.471 3.688 -13.156 1.00 52.15 C ATOM 1680 CD1 TYR A 110 -12.440 5.018 -12.758 1.00 21.34 C ATOM 1681 CD2 TYR A 110 -11.957 2.732 -12.288 1.00 64.40 C ATOM 1682 CE1 TYR A 110 -11.911 5.386 -11.536 1.00 54.30 C ATOM 1683 CE2 TYR A 110 -11.428 3.091 -11.064 1.00 73.33 C ATOM 1684 CZ TYR A 110 -11.408 4.419 -10.692 1.00 71.30 C ATOM 1685 OH TYR A 110 -10.881 4.779 -9.472 1.00 5.32 O ATOM 0 H TYR A 110 -14.179 2.361 -16.477 1.00 1.54 H new ATOM 0 HA TYR A 110 -14.118 1.565 -13.788 1.00 5.24 H new ATOM 0 HB2 TYR A 110 -12.301 2.730 -15.053 1.00 71.32 H new ATOM 0 HB3 TYR A 110 -13.266 4.192 -15.069 1.00 71.32 H new ATOM 0 HD1 TYR A 110 -12.836 5.778 -13.415 1.00 21.34 H new ATOM 0 HD2 TYR A 110 -11.972 1.691 -12.576 1.00 64.40 H new ATOM 0 HE1 TYR A 110 -11.892 6.425 -11.244 1.00 54.30 H new ATOM 0 HE2 TYR A 110 -11.032 2.336 -10.401 1.00 73.33 H new ATOM 0 HH TYR A 110 -10.571 3.978 -9.000 1.00 5.32 H new ATOM 1695 N SER A 111 -16.021 4.182 -14.441 1.00 22.43 N ATOM 1696 CA SER A 111 -17.083 5.024 -13.903 1.00 13.31 C ATOM 1697 C SER A 111 -18.385 4.238 -13.775 1.00 1.52 C ATOM 1698 O SER A 111 -19.123 4.395 -12.802 1.00 24.01 O ATOM 1699 CB SER A 111 -17.297 6.247 -14.796 1.00 45.45 C ATOM 1700 OG SER A 111 -17.496 5.863 -16.146 1.00 40.40 O ATOM 0 H SER A 111 -15.790 4.367 -15.417 1.00 22.43 H new ATOM 0 HA SER A 111 -16.781 5.358 -12.911 1.00 13.31 H new ATOM 0 HB2 SER A 111 -18.160 6.812 -14.444 1.00 45.45 H new ATOM 0 HB3 SER A 111 -16.433 6.908 -14.726 1.00 45.45 H new ATOM 0 HG SER A 111 -16.628 5.715 -16.575 1.00 40.40 H new ATOM 1706 N GLN A 112 -18.660 3.396 -14.765 1.00 54.24 N ATOM 1707 CA GLN A 112 -19.873 2.586 -14.765 1.00 13.54 C ATOM 1708 C GLN A 112 -19.879 1.615 -13.590 1.00 73.51 C ATOM 1709 O GLN A 112 -20.929 1.322 -13.018 1.00 71.34 O ATOM 1710 CB GLN A 112 -19.998 1.817 -16.080 1.00 54.25 C ATOM 1711 CG GLN A 112 -20.505 2.664 -17.236 1.00 54.23 C ATOM 1712 CD GLN A 112 -21.784 2.120 -17.842 1.00 33.13 C ATOM 1713 OE1 GLN A 112 -21.940 0.910 -18.009 1.00 22.44 O ATOM 1714 NE2 GLN A 112 -22.709 3.014 -18.174 1.00 60.24 N ATOM 0 H GLN A 112 -18.060 3.256 -15.578 1.00 54.24 H new ATOM 0 HA GLN A 112 -20.727 3.256 -14.663 1.00 13.54 H new ATOM 0 HB2 GLN A 112 -19.024 1.404 -16.343 1.00 54.25 H new ATOM 0 HB3 GLN A 112 -20.673 0.974 -15.935 1.00 54.25 H new ATOM 0 HG2 GLN A 112 -20.677 3.682 -16.887 1.00 54.23 H new ATOM 0 HG3 GLN A 112 -19.736 2.717 -18.007 1.00 54.23 H new ATOM 0 HE21 GLN A 112 -22.538 4.007 -18.018 1.00 60.24 H new ATOM 0 HE22 GLN A 112 -23.591 2.707 -18.585 1.00 60.24 H new ATOM 1723 N MET A 113 -18.698 1.117 -13.234 1.00 72.14 N ATOM 1724 CA MET A 113 -18.567 0.177 -12.127 1.00 13.43 C ATOM 1725 C MET A 113 -18.895 0.854 -10.798 1.00 43.34 C ATOM 1726 O MET A 113 -19.234 0.190 -9.820 1.00 31.22 O ATOM 1727 CB MET A 113 -17.151 -0.398 -12.082 1.00 51.42 C ATOM 1728 CG MET A 113 -17.059 -1.732 -11.359 1.00 35.10 C ATOM 1729 SD MET A 113 -16.674 -1.547 -9.607 1.00 64.43 S ATOM 1730 CE MET A 113 -15.095 -2.390 -9.518 1.00 34.04 C ATOM 0 H MET A 113 -17.819 1.349 -13.696 1.00 72.14 H new ATOM 0 HA MET A 113 -19.276 -0.635 -12.287 1.00 13.43 H new ATOM 0 HB2 MET A 113 -16.785 -0.521 -13.101 1.00 51.42 H new ATOM 0 HB3 MET A 113 -16.492 0.318 -11.591 1.00 51.42 H new ATOM 0 HG2 MET A 113 -18.004 -2.264 -11.465 1.00 35.10 H new ATOM 0 HG3 MET A 113 -16.293 -2.346 -11.833 1.00 35.10 H new ATOM 0 HE1 MET A 113 -14.724 -2.361 -8.493 1.00 34.04 H new ATOM 0 HE2 MET A 113 -15.218 -3.427 -9.830 1.00 34.04 H new ATOM 0 HE3 MET A 113 -14.381 -1.895 -10.176 1.00 34.04 H new ATOM 1740 N GLY A 114 -18.794 2.180 -10.774 1.00 34.51 N ATOM 1741 CA GLY A 114 -19.083 2.922 -9.561 1.00 2.43 C ATOM 1742 C GLY A 114 -17.833 3.492 -8.918 1.00 75.03 C ATOM 1743 O GLY A 114 -17.828 3.810 -7.727 1.00 44.14 O ATOM 0 H GLY A 114 -18.518 2.752 -11.572 1.00 34.51 H new ATOM 0 HA2 GLY A 114 -19.772 3.734 -9.791 1.00 2.43 H new ATOM 0 HA3 GLY A 114 -19.588 2.268 -8.850 1.00 2.43 H new