USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 64:sc= 0.507 USER MOD Set 1.2: A 65 SER OG : rot 163:sc= 0.972 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.115) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.12) USER MOD Single : A 7 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.094) USER MOD Single : A 13 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -0.744 X(o=-0.74,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 100:sc= -0.121 USER MOD Single : A 22 THR OG1 : rot -76:sc= -0.549 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 147:sc=-0.00272 (180deg=-1.72!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0352 K(o=-0.035,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= -0.0255 (180deg=-0.168) USER MOD Single : A 45 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= -0.337 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc=-0.000638 (180deg=-0.0967) USER MOD Single : A 59 ASN : amide:sc= -0.361! C(o=-0.36!,f=-12!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.0474 (180deg=-0.34) USER MOD Single : A 74 GLN : amide:sc= -1.35! C(o=-1.4!,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= -0.0131 (180deg=-0.166) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0146) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.655 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.0203 X(o=0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.244 -2.466 12.431 1.00 4.11 N ATOM 2 CA MET A 1 -16.010 -3.015 11.801 1.00 62.34 C ATOM 3 C MET A 1 -16.331 -4.264 10.963 1.00 42.31 C ATOM 4 O MET A 1 -16.433 -5.371 11.492 1.00 45.23 O ATOM 5 CB MET A 1 -14.976 -3.352 12.884 1.00 11.35 C ATOM 6 CG MET A 1 -13.621 -3.779 12.342 1.00 43.41 C ATOM 7 SD MET A 1 -12.866 -2.514 11.301 1.00 11.23 S ATOM 8 CE MET A 1 -11.255 -3.235 10.988 1.00 1.31 C ATOM 0 H1 MET A 1 -17.003 -1.624 12.991 1.00 4.11 H new ATOM 0 H2 MET A 1 -17.926 -2.205 11.690 1.00 4.11 H new ATOM 0 H3 MET A 1 -17.666 -3.185 13.052 1.00 4.11 H new ATOM 0 HA MET A 1 -15.596 -2.258 11.135 1.00 62.34 H new ATOM 0 HB2 MET A 1 -14.840 -2.480 13.524 1.00 11.35 H new ATOM 0 HB3 MET A 1 -15.371 -4.150 13.512 1.00 11.35 H new ATOM 0 HG2 MET A 1 -12.955 -4.005 13.175 1.00 43.41 H new ATOM 0 HG3 MET A 1 -13.736 -4.698 11.767 1.00 43.41 H new ATOM 0 HE1 MET A 1 -10.571 -2.460 10.642 1.00 1.31 H new ATOM 0 HE2 MET A 1 -10.869 -3.676 11.907 1.00 1.31 H new ATOM 0 HE3 MET A 1 -11.344 -4.008 10.224 1.00 1.31 H new ATOM 20 N ASP A 2 -16.498 -4.076 9.657 1.00 0.51 N ATOM 21 CA ASP A 2 -16.913 -5.162 8.763 1.00 62.04 C ATOM 22 C ASP A 2 -15.772 -6.147 8.454 1.00 3.42 C ATOM 23 O ASP A 2 -14.597 -5.774 8.428 1.00 42.34 O ATOM 24 CB ASP A 2 -17.460 -4.571 7.465 1.00 53.40 C ATOM 25 CG ASP A 2 -18.630 -3.645 7.726 1.00 62.53 C ATOM 26 OD1 ASP A 2 -18.395 -2.469 8.065 1.00 63.10 O ATOM 27 OD2 ASP A 2 -19.787 -4.101 7.631 1.00 43.33 O ATOM 0 H ASP A 2 -16.353 -3.181 9.190 1.00 0.51 H new ATOM 0 HA ASP A 2 -17.689 -5.729 9.277 1.00 62.04 H new ATOM 0 HB2 ASP A 2 -16.669 -4.024 6.952 1.00 53.40 H new ATOM 0 HB3 ASP A 2 -17.773 -5.377 6.801 1.00 53.40 H new ATOM 32 N GLN A 3 -16.147 -7.406 8.202 1.00 14.14 N ATOM 33 CA GLN A 3 -15.187 -8.467 7.856 1.00 50.02 C ATOM 34 C GLN A 3 -14.250 -8.055 6.711 1.00 3.41 C ATOM 35 O GLN A 3 -13.099 -8.487 6.660 1.00 44.45 O ATOM 36 CB GLN A 3 -15.929 -9.755 7.471 1.00 63.44 C ATOM 37 CG GLN A 3 -16.737 -10.376 8.605 1.00 34.35 C ATOM 38 CD GLN A 3 -15.889 -10.679 9.828 1.00 33.03 C ATOM 39 OE1 GLN A 3 -15.312 -11.755 9.952 1.00 42.03 O ATOM 40 NE2 GLN A 3 -15.814 -9.738 10.748 1.00 2.34 N ATOM 0 H GLN A 3 -17.117 -7.720 8.231 1.00 14.14 H new ATOM 0 HA GLN A 3 -14.576 -8.642 8.742 1.00 50.02 H new ATOM 0 HB2 GLN A 3 -16.599 -9.540 6.639 1.00 63.44 H new ATOM 0 HB3 GLN A 3 -15.203 -10.486 7.115 1.00 63.44 H new ATOM 0 HG2 GLN A 3 -17.543 -9.698 8.885 1.00 34.35 H new ATOM 0 HG3 GLN A 3 -17.202 -11.297 8.253 1.00 34.35 H new ATOM 0 HE21 GLN A 3 -16.306 -8.854 10.615 1.00 2.34 H new ATOM 0 HE22 GLN A 3 -15.264 -9.894 11.593 1.00 2.34 H new ATOM 49 N PHE A 4 -14.747 -7.226 5.793 1.00 75.44 N ATOM 50 CA PHE A 4 -13.924 -6.724 4.688 1.00 12.42 C ATOM 51 C PHE A 4 -12.688 -5.989 5.222 1.00 25.44 C ATOM 52 O PHE A 4 -11.554 -6.339 4.893 1.00 42.13 O ATOM 53 CB PHE A 4 -14.748 -5.789 3.790 1.00 20.14 C ATOM 54 CG PHE A 4 -13.948 -5.144 2.682 1.00 72.04 C ATOM 55 CD1 PHE A 4 -13.556 -5.880 1.573 1.00 72.10 C ATOM 56 CD2 PHE A 4 -13.585 -3.804 2.749 1.00 72.41 C ATOM 57 CE1 PHE A 4 -12.822 -5.297 0.559 1.00 1.00 C ATOM 58 CE2 PHE A 4 -12.852 -3.216 1.736 1.00 34.11 C ATOM 59 CZ PHE A 4 -12.470 -3.965 0.640 1.00 63.42 C ATOM 0 H PHE A 4 -15.709 -6.888 5.790 1.00 75.44 H new ATOM 0 HA PHE A 4 -13.590 -7.577 4.097 1.00 12.42 H new ATOM 0 HB2 PHE A 4 -15.570 -6.354 3.350 1.00 20.14 H new ATOM 0 HB3 PHE A 4 -15.193 -5.008 4.406 1.00 20.14 H new ATOM 0 HD1 PHE A 4 -13.829 -6.923 1.502 1.00 72.10 H new ATOM 0 HD2 PHE A 4 -13.880 -3.214 3.604 1.00 72.41 H new ATOM 0 HE1 PHE A 4 -12.523 -5.883 -0.297 1.00 1.00 H new ATOM 0 HE2 PHE A 4 -12.578 -2.173 1.801 1.00 34.11 H new ATOM 0 HZ PHE A 4 -11.896 -3.509 -0.153 1.00 63.42 H new ATOM 69 N LEU A 5 -12.925 -4.988 6.067 1.00 53.23 N ATOM 70 CA LEU A 5 -11.845 -4.195 6.662 1.00 71.11 C ATOM 71 C LEU A 5 -10.896 -5.078 7.486 1.00 50.20 C ATOM 72 O LEU A 5 -9.676 -4.971 7.375 1.00 40.30 O ATOM 73 CB LEU A 5 -12.439 -3.093 7.551 1.00 21.44 C ATOM 74 CG LEU A 5 -13.404 -2.129 6.840 1.00 63.13 C ATOM 75 CD1 LEU A 5 -14.040 -1.164 7.840 1.00 41.12 C ATOM 76 CD2 LEU A 5 -12.681 -1.362 5.734 1.00 75.25 C ATOM 0 H LEU A 5 -13.860 -4.704 6.358 1.00 53.23 H new ATOM 0 HA LEU A 5 -11.270 -3.742 5.855 1.00 71.11 H new ATOM 0 HB2 LEU A 5 -12.966 -3.563 8.382 1.00 21.44 H new ATOM 0 HB3 LEU A 5 -11.621 -2.513 7.979 1.00 21.44 H new ATOM 0 HG LEU A 5 -14.200 -2.718 6.384 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -14.719 -0.491 7.315 1.00 41.12 H new ATOM 0 HD12 LEU A 5 -14.596 -1.729 8.588 1.00 41.12 H new ATOM 0 HD13 LEU A 5 -13.260 -0.582 8.331 1.00 41.12 H new ATOM 0 HD21 LEU A 5 -13.381 -0.686 5.243 1.00 75.25 H new ATOM 0 HD22 LEU A 5 -11.862 -0.787 6.166 1.00 75.25 H new ATOM 0 HD23 LEU A 5 -12.284 -2.066 5.003 1.00 75.25 H new ATOM 88 N VAL A 6 -11.472 -5.960 8.298 1.00 55.54 N ATOM 89 CA VAL A 6 -10.689 -6.866 9.148 1.00 51.14 C ATOM 90 C VAL A 6 -9.714 -7.733 8.326 1.00 22.35 C ATOM 91 O VAL A 6 -8.514 -7.771 8.602 1.00 30.11 O ATOM 92 CB VAL A 6 -11.612 -7.801 9.975 1.00 44.43 C ATOM 93 CG1 VAL A 6 -10.793 -8.717 10.885 1.00 41.25 C ATOM 94 CG2 VAL A 6 -12.622 -6.988 10.788 1.00 54.24 C ATOM 0 H VAL A 6 -12.482 -6.070 8.389 1.00 55.54 H new ATOM 0 HA VAL A 6 -10.114 -6.230 9.821 1.00 51.14 H new ATOM 0 HB VAL A 6 -12.165 -8.429 9.277 1.00 44.43 H new ATOM 0 HG11 VAL A 6 -11.465 -9.361 11.453 1.00 41.25 H new ATOM 0 HG12 VAL A 6 -10.127 -9.331 10.279 1.00 41.25 H new ATOM 0 HG13 VAL A 6 -10.202 -8.112 11.573 1.00 41.25 H new ATOM 0 HG21 VAL A 6 -13.258 -7.664 11.359 1.00 54.24 H new ATOM 0 HG22 VAL A 6 -12.090 -6.326 11.471 1.00 54.24 H new ATOM 0 HG23 VAL A 6 -13.238 -6.394 10.113 1.00 54.24 H new ATOM 104 N GLN A 7 -10.240 -8.414 7.309 1.00 70.53 N ATOM 105 CA GLN A 7 -9.445 -9.357 6.512 1.00 5.20 C ATOM 106 C GLN A 7 -8.358 -8.658 5.672 1.00 62.41 C ATOM 107 O GLN A 7 -7.217 -9.120 5.631 1.00 72.44 O ATOM 108 CB GLN A 7 -10.359 -10.195 5.608 1.00 2.01 C ATOM 109 CG GLN A 7 -11.336 -11.086 6.375 1.00 73.43 C ATOM 110 CD GLN A 7 -10.634 -12.089 7.281 1.00 24.11 C ATOM 111 OE1 GLN A 7 -10.328 -13.206 6.876 1.00 21.32 O ATOM 112 NE2 GLN A 7 -10.367 -11.700 8.512 1.00 62.35 N ATOM 0 H GLN A 7 -11.213 -8.333 7.015 1.00 70.53 H new ATOM 0 HA GLN A 7 -8.931 -10.011 7.216 1.00 5.20 H new ATOM 0 HB2 GLN A 7 -10.924 -9.526 4.959 1.00 2.01 H new ATOM 0 HB3 GLN A 7 -9.742 -10.820 4.962 1.00 2.01 H new ATOM 0 HG2 GLN A 7 -11.996 -10.460 6.976 1.00 73.43 H new ATOM 0 HG3 GLN A 7 -11.965 -11.623 5.665 1.00 73.43 H new ATOM 0 HE21 GLN A 7 -10.634 -10.765 8.821 1.00 62.35 H new ATOM 0 HE22 GLN A 7 -9.894 -12.334 9.156 1.00 62.35 H new ATOM 121 N ILE A 8 -8.703 -7.552 5.006 1.00 41.44 N ATOM 122 CA ILE A 8 -7.726 -6.837 4.172 1.00 52.15 C ATOM 123 C ILE A 8 -6.565 -6.285 5.020 1.00 55.13 C ATOM 124 O ILE A 8 -5.399 -6.407 4.641 1.00 73.13 O ATOM 125 CB ILE A 8 -8.371 -5.687 3.348 1.00 72.51 C ATOM 126 CG1 ILE A 8 -8.994 -4.622 4.266 1.00 11.43 C ATOM 127 CG2 ILE A 8 -9.418 -6.245 2.381 1.00 11.51 C ATOM 128 CD1 ILE A 8 -9.587 -3.440 3.525 1.00 31.03 C ATOM 0 H ILE A 8 -9.634 -7.136 5.025 1.00 41.44 H new ATOM 0 HA ILE A 8 -7.336 -7.571 3.467 1.00 52.15 H new ATOM 0 HB ILE A 8 -7.583 -5.206 2.769 1.00 72.51 H new ATOM 0 HG12 ILE A 8 -9.773 -5.088 4.869 1.00 11.43 H new ATOM 0 HG13 ILE A 8 -8.231 -4.260 4.955 1.00 11.43 H new ATOM 0 HG21 ILE A 8 -9.860 -5.427 1.812 1.00 11.51 H new ATOM 0 HG22 ILE A 8 -8.943 -6.948 1.697 1.00 11.51 H new ATOM 0 HG23 ILE A 8 -10.197 -6.757 2.945 1.00 11.51 H new ATOM 0 HD11 ILE A 8 -10.006 -2.734 4.242 1.00 31.03 H new ATOM 0 HD12 ILE A 8 -8.808 -2.947 2.943 1.00 31.03 H new ATOM 0 HD13 ILE A 8 -10.374 -3.788 2.856 1.00 31.03 H new ATOM 140 N PHE A 9 -6.889 -5.703 6.176 1.00 75.35 N ATOM 141 CA PHE A 9 -5.863 -5.200 7.097 1.00 2.14 C ATOM 142 C PHE A 9 -4.976 -6.345 7.611 1.00 20.13 C ATOM 143 O PHE A 9 -3.745 -6.233 7.637 1.00 11.11 O ATOM 144 CB PHE A 9 -6.513 -4.465 8.282 1.00 60.24 C ATOM 145 CG PHE A 9 -7.286 -3.218 7.904 1.00 41.54 C ATOM 146 CD1 PHE A 9 -7.138 -2.625 6.653 1.00 55.41 C ATOM 147 CD2 PHE A 9 -8.164 -2.633 8.810 1.00 40.02 C ATOM 148 CE1 PHE A 9 -7.847 -1.486 6.320 1.00 53.13 C ATOM 149 CE2 PHE A 9 -8.873 -1.494 8.479 1.00 51.01 C ATOM 150 CZ PHE A 9 -8.715 -0.920 7.233 1.00 61.13 C ATOM 0 H PHE A 9 -7.848 -5.568 6.497 1.00 75.35 H new ATOM 0 HA PHE A 9 -5.236 -4.498 6.548 1.00 2.14 H new ATOM 0 HB2 PHE A 9 -7.186 -5.153 8.794 1.00 60.24 H new ATOM 0 HB3 PHE A 9 -5.734 -4.192 8.994 1.00 60.24 H new ATOM 0 HD1 PHE A 9 -6.461 -3.061 5.933 1.00 55.41 H new ATOM 0 HD2 PHE A 9 -8.294 -3.075 9.787 1.00 40.02 H new ATOM 0 HE1 PHE A 9 -7.722 -1.038 5.345 1.00 53.13 H new ATOM 0 HE2 PHE A 9 -9.551 -1.053 9.195 1.00 51.01 H new ATOM 0 HZ PHE A 9 -9.269 -0.030 6.973 1.00 61.13 H new ATOM 160 N ALA A 10 -5.614 -7.454 7.999 1.00 64.30 N ATOM 161 CA ALA A 10 -4.902 -8.640 8.493 1.00 24.44 C ATOM 162 C ALA A 10 -3.825 -9.111 7.505 1.00 71.44 C ATOM 163 O ALA A 10 -2.751 -9.548 7.910 1.00 70.42 O ATOM 164 CB ALA A 10 -5.892 -9.766 8.776 1.00 2.31 C ATOM 0 H ALA A 10 -6.629 -7.556 7.981 1.00 64.30 H new ATOM 0 HA ALA A 10 -4.398 -8.363 9.419 1.00 24.44 H new ATOM 0 HB1 ALA A 10 -5.354 -10.640 9.142 1.00 2.31 H new ATOM 0 HB2 ALA A 10 -6.609 -9.440 9.530 1.00 2.31 H new ATOM 0 HB3 ALA A 10 -6.422 -10.024 7.859 1.00 2.31 H new ATOM 170 N VAL A 11 -4.118 -9.011 6.207 1.00 20.02 N ATOM 171 CA VAL A 11 -3.156 -9.395 5.164 1.00 1.53 C ATOM 172 C VAL A 11 -1.978 -8.408 5.092 1.00 41.45 C ATOM 173 O VAL A 11 -0.819 -8.812 4.975 1.00 63.33 O ATOM 174 CB VAL A 11 -3.836 -9.484 3.772 1.00 53.33 C ATOM 175 CG1 VAL A 11 -2.820 -9.842 2.685 1.00 11.05 C ATOM 176 CG2 VAL A 11 -4.981 -10.494 3.798 1.00 15.00 C ATOM 0 H VAL A 11 -5.010 -8.669 5.850 1.00 20.02 H new ATOM 0 HA VAL A 11 -2.775 -10.379 5.437 1.00 1.53 H new ATOM 0 HB VAL A 11 -4.248 -8.504 3.534 1.00 53.33 H new ATOM 0 HG11 VAL A 11 -3.324 -9.898 1.720 1.00 11.05 H new ATOM 0 HG12 VAL A 11 -2.044 -9.077 2.646 1.00 11.05 H new ATOM 0 HG13 VAL A 11 -2.367 -10.807 2.914 1.00 11.05 H new ATOM 0 HG21 VAL A 11 -5.446 -10.543 2.813 1.00 15.00 H new ATOM 0 HG22 VAL A 11 -4.593 -11.477 4.065 1.00 15.00 H new ATOM 0 HG23 VAL A 11 -5.723 -10.184 4.534 1.00 15.00 H new ATOM 186 N ILE A 12 -2.287 -7.116 5.179 1.00 30.11 N ATOM 187 CA ILE A 12 -1.272 -6.053 5.101 1.00 74.34 C ATOM 188 C ILE A 12 -0.204 -6.183 6.204 1.00 43.34 C ATOM 189 O ILE A 12 0.955 -5.813 6.009 1.00 31.03 O ATOM 190 CB ILE A 12 -1.940 -4.657 5.182 1.00 65.31 C ATOM 191 CG1 ILE A 12 -2.963 -4.500 4.046 1.00 73.42 C ATOM 192 CG2 ILE A 12 -0.896 -3.539 5.126 1.00 31.43 C ATOM 193 CD1 ILE A 12 -3.804 -3.247 4.139 1.00 44.42 C ATOM 0 H ILE A 12 -3.239 -6.772 5.305 1.00 30.11 H new ATOM 0 HA ILE A 12 -0.771 -6.163 4.139 1.00 74.34 H new ATOM 0 HB ILE A 12 -2.457 -4.578 6.138 1.00 65.31 H new ATOM 0 HG12 ILE A 12 -2.434 -4.499 3.093 1.00 73.42 H new ATOM 0 HG13 ILE A 12 -3.623 -5.368 4.044 1.00 73.42 H new ATOM 0 HG21 ILE A 12 -1.395 -2.572 5.185 1.00 31.43 H new ATOM 0 HG22 ILE A 12 -0.206 -3.643 5.964 1.00 31.43 H new ATOM 0 HG23 ILE A 12 -0.342 -3.605 4.190 1.00 31.43 H new ATOM 0 HD11 ILE A 12 -4.500 -3.213 3.300 1.00 44.42 H new ATOM 0 HD12 ILE A 12 -4.363 -3.253 5.074 1.00 44.42 H new ATOM 0 HD13 ILE A 12 -3.156 -2.371 4.109 1.00 44.42 H new ATOM 205 N HIS A 13 -0.595 -6.722 7.359 1.00 22.13 N ATOM 206 CA HIS A 13 0.345 -6.932 8.475 1.00 31.14 C ATOM 207 C HIS A 13 1.510 -7.882 8.112 1.00 35.03 C ATOM 208 O HIS A 13 2.485 -7.983 8.859 1.00 41.31 O ATOM 209 CB HIS A 13 -0.390 -7.470 9.714 1.00 1.31 C ATOM 210 CG HIS A 13 -1.198 -6.436 10.441 1.00 54.41 C ATOM 211 ND1 HIS A 13 -0.598 -5.525 11.275 1.00 52.12 N ATOM 212 CD2 HIS A 13 -2.535 -6.217 10.439 1.00 75.14 C ATOM 213 CE1 HIS A 13 -1.572 -4.775 11.758 1.00 13.21 C ATOM 214 NE2 HIS A 13 -2.763 -5.157 11.281 1.00 5.11 N ATOM 0 H HIS A 13 -1.551 -7.022 7.552 1.00 22.13 H new ATOM 0 HA HIS A 13 0.776 -5.955 8.696 1.00 31.14 H new ATOM 0 HB2 HIS A 13 -1.049 -8.283 9.408 1.00 1.31 H new ATOM 0 HB3 HIS A 13 0.341 -7.894 10.402 1.00 1.31 H new ATOM 0 HD2 HIS A 13 -3.278 -6.769 9.883 1.00 75.14 H new ATOM 0 HE1 HIS A 13 -1.426 -3.958 12.449 1.00 13.21 H new ATOM 0 HE2 HIS A 13 -3.667 -4.740 11.501 1.00 5.11 H new ATOM 222 N GLN A 14 1.406 -8.585 6.981 1.00 24.44 N ATOM 223 CA GLN A 14 2.467 -9.510 6.543 1.00 12.43 C ATOM 224 C GLN A 14 3.509 -8.825 5.636 1.00 23.35 C ATOM 225 O GLN A 14 4.491 -9.451 5.234 1.00 72.42 O ATOM 226 CB GLN A 14 1.861 -10.721 5.808 1.00 51.43 C ATOM 227 CG GLN A 14 1.193 -11.751 6.717 1.00 34.50 C ATOM 228 CD GLN A 14 -0.060 -11.235 7.400 1.00 44.23 C ATOM 229 OE1 GLN A 14 -0.006 -10.661 8.481 1.00 32.04 O ATOM 230 NE2 GLN A 14 -1.203 -11.457 6.787 1.00 53.01 N ATOM 0 H GLN A 14 0.605 -8.535 6.352 1.00 24.44 H new ATOM 0 HA GLN A 14 2.980 -9.845 7.444 1.00 12.43 H new ATOM 0 HB2 GLN A 14 1.126 -10.361 5.088 1.00 51.43 H new ATOM 0 HB3 GLN A 14 2.649 -11.215 5.239 1.00 51.43 H new ATOM 0 HG2 GLN A 14 0.939 -12.633 6.128 1.00 34.50 H new ATOM 0 HG3 GLN A 14 1.906 -12.070 7.477 1.00 34.50 H new ATOM 0 HE21 GLN A 14 -1.214 -11.938 5.887 1.00 53.01 H new ATOM 0 HE22 GLN A 14 -2.078 -11.148 7.211 1.00 53.01 H new ATOM 239 N ILE A 15 3.297 -7.554 5.309 1.00 65.45 N ATOM 240 CA ILE A 15 4.218 -6.815 4.434 1.00 63.11 C ATOM 241 C ILE A 15 5.404 -6.228 5.230 1.00 63.32 C ATOM 242 O ILE A 15 5.217 -5.345 6.067 1.00 42.23 O ATOM 243 CB ILE A 15 3.478 -5.668 3.696 1.00 10.25 C ATOM 244 CG1 ILE A 15 2.236 -6.212 2.971 1.00 70.02 C ATOM 245 CG2 ILE A 15 4.415 -4.971 2.708 1.00 70.14 C ATOM 246 CD1 ILE A 15 1.365 -5.134 2.366 1.00 61.34 C ATOM 0 H ILE A 15 2.498 -7.009 5.633 1.00 65.45 H new ATOM 0 HA ILE A 15 4.604 -7.525 3.703 1.00 63.11 H new ATOM 0 HB ILE A 15 3.154 -4.935 4.434 1.00 10.25 H new ATOM 0 HG12 ILE A 15 2.556 -6.894 2.183 1.00 70.02 H new ATOM 0 HG13 ILE A 15 1.642 -6.795 3.675 1.00 70.02 H new ATOM 0 HG21 ILE A 15 3.878 -4.170 2.200 1.00 70.14 H new ATOM 0 HG22 ILE A 15 5.266 -4.553 3.246 1.00 70.14 H new ATOM 0 HG23 ILE A 15 4.770 -5.693 1.972 1.00 70.14 H new ATOM 0 HD11 ILE A 15 0.509 -5.593 1.872 1.00 61.34 H new ATOM 0 HD12 ILE A 15 1.015 -4.465 3.152 1.00 61.34 H new ATOM 0 HD13 ILE A 15 1.943 -4.566 1.637 1.00 61.34 H new ATOM 258 N PRO A 16 6.644 -6.713 4.980 1.00 55.41 N ATOM 259 CA PRO A 16 7.846 -6.261 5.710 1.00 64.21 C ATOM 260 C PRO A 16 8.279 -4.821 5.367 1.00 51.13 C ATOM 261 O PRO A 16 7.873 -4.254 4.349 1.00 30.31 O ATOM 262 CB PRO A 16 8.937 -7.265 5.275 1.00 72.20 C ATOM 263 CG PRO A 16 8.212 -8.367 4.569 1.00 65.40 C ATOM 264 CD PRO A 16 6.979 -7.739 3.983 1.00 24.25 C ATOM 0 HA PRO A 16 7.660 -6.237 6.784 1.00 64.21 H new ATOM 0 HB2 PRO A 16 9.666 -6.791 4.617 1.00 72.20 H new ATOM 0 HB3 PRO A 16 9.485 -7.646 6.137 1.00 72.20 H new ATOM 0 HG2 PRO A 16 8.834 -8.807 3.790 1.00 65.40 H new ATOM 0 HG3 PRO A 16 7.951 -9.169 5.260 1.00 65.40 H new ATOM 0 HD2 PRO A 16 7.171 -7.305 3.002 1.00 24.25 H new ATOM 0 HD3 PRO A 16 6.174 -8.463 3.859 1.00 24.25 H new ATOM 272 N LYS A 17 9.132 -4.248 6.221 1.00 23.12 N ATOM 273 CA LYS A 17 9.636 -2.882 6.030 1.00 72.44 C ATOM 274 C LYS A 17 10.492 -2.765 4.752 1.00 20.31 C ATOM 275 O LYS A 17 11.515 -3.441 4.609 1.00 23.31 O ATOM 276 CB LYS A 17 10.462 -2.449 7.255 1.00 11.53 C ATOM 277 CG LYS A 17 10.962 -1.010 7.177 1.00 74.42 C ATOM 278 CD LYS A 17 11.782 -0.611 8.400 1.00 42.13 C ATOM 279 CE LYS A 17 12.224 0.848 8.323 1.00 41.22 C ATOM 280 NZ LYS A 17 13.070 1.241 9.479 1.00 51.14 N ATOM 0 H LYS A 17 9.490 -4.711 7.056 1.00 23.12 H new ATOM 0 HA LYS A 17 8.775 -2.223 5.918 1.00 72.44 H new ATOM 0 HB2 LYS A 17 9.854 -2.565 8.152 1.00 11.53 H new ATOM 0 HB3 LYS A 17 11.317 -3.117 7.361 1.00 11.53 H new ATOM 0 HG2 LYS A 17 11.569 -0.888 6.280 1.00 74.42 H new ATOM 0 HG3 LYS A 17 10.110 -0.337 7.079 1.00 74.42 H new ATOM 0 HD2 LYS A 17 11.191 -0.766 9.303 1.00 42.13 H new ATOM 0 HD3 LYS A 17 12.658 -1.255 8.478 1.00 42.13 H new ATOM 0 HE2 LYS A 17 12.778 1.009 7.398 1.00 41.22 H new ATOM 0 HE3 LYS A 17 11.344 1.491 8.284 1.00 41.22 H new ATOM 0 HZ1 LYS A 17 13.346 2.239 9.384 1.00 51.14 H new ATOM 0 HZ2 LYS A 17 12.534 1.113 10.361 1.00 51.14 H new ATOM 0 HZ3 LYS A 17 13.923 0.647 9.503 1.00 51.14 H new ATOM 294 N GLY A 18 10.076 -1.894 3.836 1.00 30.31 N ATOM 295 CA GLY A 18 10.805 -1.712 2.580 1.00 31.03 C ATOM 296 C GLY A 18 10.231 -2.523 1.422 1.00 13.13 C ATOM 297 O GLY A 18 10.880 -2.683 0.386 1.00 75.21 O ATOM 0 H GLY A 18 9.247 -1.308 3.936 1.00 30.31 H new ATOM 0 HA2 GLY A 18 10.796 -0.655 2.313 1.00 31.03 H new ATOM 0 HA3 GLY A 18 11.847 -1.994 2.730 1.00 31.03 H new ATOM 301 N LYS A 19 9.017 -3.043 1.597 1.00 21.30 N ATOM 302 CA LYS A 19 8.325 -3.784 0.535 1.00 31.44 C ATOM 303 C LYS A 19 6.928 -3.199 0.269 1.00 70.34 C ATOM 304 O LYS A 19 6.272 -2.692 1.178 1.00 51.22 O ATOM 305 CB LYS A 19 8.207 -5.271 0.906 1.00 43.13 C ATOM 306 CG LYS A 19 9.539 -6.023 0.937 1.00 31.33 C ATOM 307 CD LYS A 19 10.239 -5.990 -0.421 1.00 25.21 C ATOM 308 CE LYS A 19 11.417 -6.957 -0.482 1.00 21.13 C ATOM 309 NZ LYS A 19 12.511 -6.580 0.452 1.00 45.34 N ATOM 0 H LYS A 19 8.488 -2.966 2.466 1.00 21.30 H new ATOM 0 HA LYS A 19 8.916 -3.689 -0.376 1.00 31.44 H new ATOM 0 HB2 LYS A 19 7.735 -5.352 1.885 1.00 43.13 H new ATOM 0 HB3 LYS A 19 7.545 -5.760 0.192 1.00 43.13 H new ATOM 0 HG2 LYS A 19 10.189 -5.581 1.692 1.00 31.33 H new ATOM 0 HG3 LYS A 19 9.366 -7.058 1.232 1.00 31.33 H new ATOM 0 HD2 LYS A 19 9.523 -6.241 -1.204 1.00 25.21 H new ATOM 0 HD3 LYS A 19 10.590 -4.978 -0.623 1.00 25.21 H new ATOM 0 HE2 LYS A 19 11.070 -7.963 -0.244 1.00 21.13 H new ATOM 0 HE3 LYS A 19 11.806 -6.987 -1.500 1.00 21.13 H new ATOM 0 HZ1 LYS A 19 13.287 -7.267 0.373 1.00 45.34 H new ATOM 0 HZ2 LYS A 19 12.862 -5.631 0.210 1.00 45.34 H new ATOM 0 HZ3 LYS A 19 12.149 -6.577 1.427 1.00 45.34 H new ATOM 323 N VAL A 20 6.475 -3.284 -0.980 1.00 54.34 N ATOM 324 CA VAL A 20 5.163 -2.759 -1.372 1.00 53.20 C ATOM 325 C VAL A 20 4.305 -3.833 -2.052 1.00 71.52 C ATOM 326 O VAL A 20 4.822 -4.741 -2.709 1.00 22.23 O ATOM 327 CB VAL A 20 5.289 -1.536 -2.325 1.00 11.42 C ATOM 328 CG1 VAL A 20 5.974 -0.366 -1.624 1.00 23.55 C ATOM 329 CG2 VAL A 20 6.038 -1.912 -3.605 1.00 41.23 C ATOM 0 H VAL A 20 6.998 -3.713 -1.743 1.00 54.34 H new ATOM 0 HA VAL A 20 4.676 -2.441 -0.450 1.00 53.20 H new ATOM 0 HB VAL A 20 4.282 -1.224 -2.601 1.00 11.42 H new ATOM 0 HG11 VAL A 20 6.050 0.476 -2.312 1.00 23.55 H new ATOM 0 HG12 VAL A 20 5.390 -0.071 -0.752 1.00 23.55 H new ATOM 0 HG13 VAL A 20 6.973 -0.666 -1.307 1.00 23.55 H new ATOM 0 HG21 VAL A 20 6.112 -1.039 -4.253 1.00 41.23 H new ATOM 0 HG22 VAL A 20 7.039 -2.261 -3.352 1.00 41.23 H new ATOM 0 HG23 VAL A 20 5.498 -2.704 -4.123 1.00 41.23 H new ATOM 339 N SER A 21 2.992 -3.727 -1.881 1.00 64.13 N ATOM 340 CA SER A 21 2.042 -4.651 -2.520 1.00 52.21 C ATOM 341 C SER A 21 0.948 -3.879 -3.264 1.00 20.04 C ATOM 342 O SER A 21 0.798 -2.668 -3.085 1.00 25.54 O ATOM 343 CB SER A 21 1.394 -5.560 -1.469 1.00 1.41 C ATOM 344 OG SER A 21 0.614 -4.806 -0.557 1.00 62.00 O ATOM 0 H SER A 21 2.553 -3.010 -1.304 1.00 64.13 H new ATOM 0 HA SER A 21 2.596 -5.259 -3.235 1.00 52.21 H new ATOM 0 HB2 SER A 21 0.767 -6.303 -1.962 1.00 1.41 H new ATOM 0 HB3 SER A 21 2.167 -6.105 -0.928 1.00 1.41 H new ATOM 0 HG SER A 21 -0.332 -4.868 -0.806 1.00 62.00 H new ATOM 350 N THR A 22 0.184 -4.577 -4.100 1.00 42.54 N ATOM 351 CA THR A 22 -0.926 -3.952 -4.834 1.00 42.25 C ATOM 352 C THR A 22 -2.281 -4.319 -4.217 1.00 32.42 C ATOM 353 O THR A 22 -2.455 -5.418 -3.685 1.00 74.24 O ATOM 354 CB THR A 22 -0.934 -4.371 -6.324 1.00 35.22 C ATOM 355 OG1 THR A 22 -1.241 -5.767 -6.447 1.00 15.33 O ATOM 356 CG2 THR A 22 0.414 -4.088 -6.980 1.00 1.44 C ATOM 0 H THR A 22 0.308 -5.572 -4.289 1.00 42.54 H new ATOM 0 HA THR A 22 -0.772 -2.875 -4.764 1.00 42.25 H new ATOM 0 HB THR A 22 -1.700 -3.784 -6.831 1.00 35.22 H new ATOM 0 HG1 THR A 22 -0.453 -6.298 -6.205 1.00 15.33 H new ATOM 0 HG21 THR A 22 0.380 -4.392 -8.026 1.00 1.44 H new ATOM 0 HG22 THR A 22 0.632 -3.022 -6.919 1.00 1.44 H new ATOM 0 HG23 THR A 22 1.194 -4.648 -6.464 1.00 1.44 H new ATOM 364 N TYR A 23 -3.243 -3.393 -4.291 1.00 15.44 N ATOM 365 CA TYR A 23 -4.596 -3.633 -3.761 1.00 14.24 C ATOM 366 C TYR A 23 -5.197 -4.940 -4.303 1.00 74.22 C ATOM 367 O TYR A 23 -5.914 -5.645 -3.593 1.00 14.24 O ATOM 368 CB TYR A 23 -5.532 -2.466 -4.102 1.00 74.14 C ATOM 369 CG TYR A 23 -5.082 -1.130 -3.548 1.00 33.31 C ATOM 370 CD1 TYR A 23 -4.818 -0.970 -2.194 1.00 43.11 C ATOM 371 CD2 TYR A 23 -4.915 -0.032 -4.383 1.00 13.24 C ATOM 372 CE1 TYR A 23 -4.400 0.244 -1.689 1.00 61.50 C ATOM 373 CE2 TYR A 23 -4.497 1.182 -3.884 1.00 35.53 C ATOM 374 CZ TYR A 23 -4.238 1.315 -2.537 1.00 31.23 C ATOM 375 OH TYR A 23 -3.816 2.528 -2.039 1.00 41.14 O ATOM 0 H TYR A 23 -3.114 -2.472 -4.711 1.00 15.44 H new ATOM 0 HA TYR A 23 -4.501 -3.718 -2.679 1.00 14.24 H new ATOM 0 HB2 TYR A 23 -5.617 -2.388 -5.186 1.00 74.14 H new ATOM 0 HB3 TYR A 23 -6.528 -2.689 -3.719 1.00 74.14 H new ATOM 0 HD1 TYR A 23 -4.942 -1.809 -1.526 1.00 43.11 H new ATOM 0 HD2 TYR A 23 -5.116 -0.132 -5.439 1.00 13.24 H new ATOM 0 HE1 TYR A 23 -4.201 0.353 -0.633 1.00 61.50 H new ATOM 0 HE2 TYR A 23 -4.373 2.026 -4.546 1.00 35.53 H new ATOM 0 HH TYR A 23 -2.913 2.434 -1.670 1.00 41.14 H new ATOM 385 N GLY A 24 -4.907 -5.246 -5.569 1.00 33.03 N ATOM 386 CA GLY A 24 -5.387 -6.484 -6.175 1.00 41.22 C ATOM 387 C GLY A 24 -4.943 -7.727 -5.410 1.00 73.33 C ATOM 388 O GLY A 24 -5.741 -8.640 -5.182 1.00 43.54 O ATOM 0 H GLY A 24 -4.348 -4.659 -6.187 1.00 33.03 H new ATOM 0 HA2 GLY A 24 -6.476 -6.462 -6.223 1.00 41.22 H new ATOM 0 HA3 GLY A 24 -5.024 -6.545 -7.201 1.00 41.22 H new ATOM 392 N GLU A 25 -3.674 -7.752 -5.005 1.00 73.45 N ATOM 393 CA GLU A 25 -3.130 -8.859 -4.213 1.00 63.33 C ATOM 394 C GLU A 25 -3.801 -8.933 -2.829 1.00 0.24 C ATOM 395 O GLU A 25 -4.337 -9.973 -2.443 1.00 1.22 O ATOM 396 CB GLU A 25 -1.610 -8.693 -4.049 1.00 53.21 C ATOM 397 CG GLU A 25 -0.837 -8.727 -5.367 1.00 60.51 C ATOM 398 CD GLU A 25 0.650 -8.435 -5.195 1.00 12.41 C ATOM 399 OE1 GLU A 25 1.428 -9.391 -4.984 1.00 12.12 O ATOM 400 OE2 GLU A 25 1.042 -7.246 -5.274 1.00 70.50 O ATOM 0 H GLU A 25 -2.999 -7.016 -5.212 1.00 73.45 H new ATOM 0 HA GLU A 25 -3.337 -9.788 -4.743 1.00 63.33 H new ATOM 0 HB2 GLU A 25 -1.410 -7.747 -3.546 1.00 53.21 H new ATOM 0 HB3 GLU A 25 -1.236 -9.484 -3.399 1.00 53.21 H new ATOM 0 HG2 GLU A 25 -0.958 -9.708 -5.827 1.00 60.51 H new ATOM 0 HG3 GLU A 25 -1.268 -7.998 -6.053 1.00 60.51 H new ATOM 407 N ILE A 26 -3.777 -7.816 -2.100 1.00 25.54 N ATOM 408 CA ILE A 26 -4.357 -7.741 -0.750 1.00 31.52 C ATOM 409 C ILE A 26 -5.832 -8.186 -0.733 1.00 33.40 C ATOM 410 O ILE A 26 -6.227 -9.037 0.068 1.00 5.34 O ATOM 411 CB ILE A 26 -4.249 -6.302 -0.176 1.00 13.21 C ATOM 412 CG1 ILE A 26 -2.778 -5.854 -0.118 1.00 52.12 C ATOM 413 CG2 ILE A 26 -4.897 -6.215 1.208 1.00 72.15 C ATOM 414 CD1 ILE A 26 -1.899 -6.724 0.760 1.00 2.11 C ATOM 0 H ILE A 26 -3.360 -6.943 -2.421 1.00 25.54 H new ATOM 0 HA ILE A 26 -3.782 -8.424 -0.125 1.00 31.52 H new ATOM 0 HB ILE A 26 -4.788 -5.628 -0.842 1.00 13.21 H new ATOM 0 HG12 ILE A 26 -2.371 -5.849 -1.129 1.00 52.12 H new ATOM 0 HG13 ILE A 26 -2.736 -4.828 0.248 1.00 52.12 H new ATOM 0 HG21 ILE A 26 -4.808 -5.197 1.588 1.00 72.15 H new ATOM 0 HG22 ILE A 26 -5.951 -6.484 1.134 1.00 72.15 H new ATOM 0 HG23 ILE A 26 -4.394 -6.902 1.889 1.00 72.15 H new ATOM 0 HD11 ILE A 26 -0.879 -6.341 0.747 1.00 2.11 H new ATOM 0 HD12 ILE A 26 -2.278 -6.710 1.782 1.00 2.11 H new ATOM 0 HD13 ILE A 26 -1.907 -7.747 0.383 1.00 2.11 H new ATOM 426 N ALA A 27 -6.635 -7.610 -1.627 1.00 40.33 N ATOM 427 CA ALA A 27 -8.062 -7.948 -1.723 1.00 41.11 C ATOM 428 C ALA A 27 -8.276 -9.449 -1.977 1.00 5.54 C ATOM 429 O ALA A 27 -9.106 -10.090 -1.328 1.00 5.22 O ATOM 430 CB ALA A 27 -8.730 -7.124 -2.822 1.00 61.32 C ATOM 0 H ALA A 27 -6.325 -6.906 -2.297 1.00 40.33 H new ATOM 0 HA ALA A 27 -8.523 -7.706 -0.765 1.00 41.11 H new ATOM 0 HB1 ALA A 27 -9.787 -7.385 -2.881 1.00 61.32 H new ATOM 0 HB2 ALA A 27 -8.631 -6.063 -2.592 1.00 61.32 H new ATOM 0 HB3 ALA A 27 -8.250 -7.335 -3.778 1.00 61.32 H new ATOM 436 N LYS A 28 -7.518 -10.006 -2.920 1.00 15.10 N ATOM 437 CA LYS A 28 -7.601 -11.433 -3.244 1.00 53.03 C ATOM 438 C LYS A 28 -7.237 -12.309 -2.032 1.00 62.23 C ATOM 439 O LYS A 28 -7.961 -13.246 -1.691 1.00 14.44 O ATOM 440 CB LYS A 28 -6.680 -11.762 -4.426 1.00 72.33 C ATOM 441 CG LYS A 28 -6.681 -13.239 -4.807 1.00 42.30 C ATOM 442 CD LYS A 28 -5.721 -13.532 -5.954 1.00 31.24 C ATOM 443 CE LYS A 28 -5.675 -15.021 -6.272 1.00 44.24 C ATOM 444 NZ LYS A 28 -4.729 -15.327 -7.375 1.00 21.43 N ATOM 0 H LYS A 28 -6.836 -9.490 -3.476 1.00 15.10 H new ATOM 0 HA LYS A 28 -8.633 -11.652 -3.519 1.00 53.03 H new ATOM 0 HB2 LYS A 28 -6.986 -11.172 -5.290 1.00 72.33 H new ATOM 0 HB3 LYS A 28 -5.662 -11.460 -4.178 1.00 72.33 H new ATOM 0 HG2 LYS A 28 -6.403 -13.838 -3.939 1.00 42.30 H new ATOM 0 HG3 LYS A 28 -7.689 -13.539 -5.092 1.00 42.30 H new ATOM 0 HD2 LYS A 28 -6.031 -12.978 -6.840 1.00 31.24 H new ATOM 0 HD3 LYS A 28 -4.722 -13.183 -5.693 1.00 31.24 H new ATOM 0 HE2 LYS A 28 -5.381 -15.573 -5.379 1.00 44.24 H new ATOM 0 HE3 LYS A 28 -6.673 -15.364 -6.545 1.00 44.24 H new ATOM 0 HZ1 LYS A 28 -4.729 -16.351 -7.558 1.00 21.43 H new ATOM 0 HZ2 LYS A 28 -5.023 -14.821 -8.235 1.00 21.43 H new ATOM 0 HZ3 LYS A 28 -3.771 -15.024 -7.105 1.00 21.43 H new ATOM 458 N MET A 29 -6.118 -11.991 -1.378 1.00 11.20 N ATOM 459 CA MET A 29 -5.657 -12.748 -0.205 1.00 64.42 C ATOM 460 C MET A 29 -6.657 -12.648 0.960 1.00 71.00 C ATOM 461 O MET A 29 -6.774 -13.564 1.781 1.00 63.54 O ATOM 462 CB MET A 29 -4.281 -12.240 0.247 1.00 10.15 C ATOM 463 CG MET A 29 -3.213 -12.312 -0.836 1.00 31.40 C ATOM 464 SD MET A 29 -1.616 -11.685 -0.276 1.00 65.21 S ATOM 465 CE MET A 29 -0.663 -11.773 -1.792 1.00 34.02 C ATOM 0 H MET A 29 -5.511 -11.214 -1.639 1.00 11.20 H new ATOM 0 HA MET A 29 -5.580 -13.795 -0.497 1.00 64.42 H new ATOM 0 HB2 MET A 29 -4.377 -11.207 0.581 1.00 10.15 H new ATOM 0 HB3 MET A 29 -3.953 -12.824 1.107 1.00 10.15 H new ATOM 0 HG2 MET A 29 -3.100 -13.346 -1.162 1.00 31.40 H new ATOM 0 HG3 MET A 29 -3.541 -11.739 -1.703 1.00 31.40 H new ATOM 0 HE1 MET A 29 0.059 -10.957 -1.816 1.00 34.02 H new ATOM 0 HE2 MET A 29 -0.136 -12.726 -1.835 1.00 34.02 H new ATOM 0 HE3 MET A 29 -1.333 -11.690 -2.648 1.00 34.02 H new ATOM 475 N ALA A 30 -7.368 -11.523 1.029 1.00 24.12 N ATOM 476 CA ALA A 30 -8.387 -11.304 2.061 1.00 31.12 C ATOM 477 C ALA A 30 -9.678 -12.086 1.766 1.00 61.34 C ATOM 478 O ALA A 30 -10.482 -12.328 2.665 1.00 74.21 O ATOM 479 CB ALA A 30 -8.687 -9.816 2.186 1.00 25.53 C ATOM 0 H ALA A 30 -7.258 -10.744 0.380 1.00 24.12 H new ATOM 0 HA ALA A 30 -7.990 -11.675 3.006 1.00 31.12 H new ATOM 0 HB1 ALA A 30 -9.445 -9.661 2.954 1.00 25.53 H new ATOM 0 HB2 ALA A 30 -7.777 -9.283 2.461 1.00 25.53 H new ATOM 0 HB3 ALA A 30 -9.055 -9.438 1.232 1.00 25.53 H new ATOM 485 N GLY A 31 -9.860 -12.489 0.507 1.00 50.24 N ATOM 486 CA GLY A 31 -11.068 -13.209 0.110 1.00 72.33 C ATOM 487 C GLY A 31 -12.115 -12.310 -0.546 1.00 12.31 C ATOM 488 O GLY A 31 -13.309 -12.626 -0.551 1.00 63.53 O ATOM 0 H GLY A 31 -9.192 -12.330 -0.248 1.00 50.24 H new ATOM 0 HA2 GLY A 31 -10.797 -14.006 -0.583 1.00 72.33 H new ATOM 0 HA3 GLY A 31 -11.505 -13.684 0.988 1.00 72.33 H new ATOM 492 N TYR A 32 -11.671 -11.184 -1.101 1.00 65.32 N ATOM 493 CA TYR A 32 -12.564 -10.236 -1.777 1.00 60.42 C ATOM 494 C TYR A 32 -11.988 -9.809 -3.142 1.00 61.20 C ATOM 495 O TYR A 32 -11.694 -8.631 -3.363 1.00 53.23 O ATOM 496 CB TYR A 32 -12.789 -9.001 -0.889 1.00 41.54 C ATOM 497 CG TYR A 32 -13.252 -9.331 0.520 1.00 60.22 C ATOM 498 CD1 TYR A 32 -12.330 -9.576 1.536 1.00 45.11 C ATOM 499 CD2 TYR A 32 -14.606 -9.401 0.836 1.00 22.32 C ATOM 500 CE1 TYR A 32 -12.743 -9.878 2.816 1.00 75.20 C ATOM 501 CE2 TYR A 32 -15.024 -9.702 2.120 1.00 11.20 C ATOM 502 CZ TYR A 32 -14.087 -9.939 3.105 1.00 34.42 C ATOM 503 OH TYR A 32 -14.492 -10.236 4.385 1.00 53.14 O ATOM 0 H TYR A 32 -10.691 -10.902 -1.097 1.00 65.32 H new ATOM 0 HA TYR A 32 -13.519 -10.732 -1.952 1.00 60.42 H new ATOM 0 HB2 TYR A 32 -11.861 -8.433 -0.832 1.00 41.54 H new ATOM 0 HB3 TYR A 32 -13.529 -8.356 -1.362 1.00 41.54 H new ATOM 0 HD1 TYR A 32 -11.274 -9.528 1.317 1.00 45.11 H new ATOM 0 HD2 TYR A 32 -15.342 -9.217 0.067 1.00 22.32 H new ATOM 0 HE1 TYR A 32 -12.014 -10.066 3.590 1.00 75.20 H new ATOM 0 HE2 TYR A 32 -16.078 -9.751 2.350 1.00 11.20 H new ATOM 0 HH TYR A 32 -15.471 -10.240 4.426 1.00 53.14 H new ATOM 513 N PRO A 33 -11.824 -10.762 -4.083 1.00 73.03 N ATOM 514 CA PRO A 33 -11.239 -10.471 -5.404 1.00 43.13 C ATOM 515 C PRO A 33 -12.080 -9.475 -6.220 1.00 50.21 C ATOM 516 O PRO A 33 -13.249 -9.731 -6.526 1.00 5.34 O ATOM 517 CB PRO A 33 -11.200 -11.848 -6.091 1.00 61.42 C ATOM 518 CG PRO A 33 -12.217 -12.669 -5.368 1.00 24.33 C ATOM 519 CD PRO A 33 -12.192 -12.185 -3.946 1.00 24.30 C ATOM 0 HA PRO A 33 -10.261 -9.998 -5.318 1.00 43.13 H new ATOM 0 HB2 PRO A 33 -11.439 -11.767 -7.151 1.00 61.42 H new ATOM 0 HB3 PRO A 33 -10.209 -12.296 -6.021 1.00 61.42 H new ATOM 0 HG2 PRO A 33 -13.207 -12.543 -5.807 1.00 24.33 H new ATOM 0 HG3 PRO A 33 -11.976 -13.730 -5.425 1.00 24.33 H new ATOM 0 HD2 PRO A 33 -13.161 -12.306 -3.462 1.00 24.30 H new ATOM 0 HD3 PRO A 33 -11.466 -12.733 -3.346 1.00 24.30 H new ATOM 527 N GLY A 34 -11.482 -8.338 -6.571 1.00 72.42 N ATOM 528 CA GLY A 34 -12.193 -7.319 -7.341 1.00 71.14 C ATOM 529 C GLY A 34 -12.647 -6.126 -6.503 1.00 1.44 C ATOM 530 O GLY A 34 -13.152 -5.142 -7.042 1.00 1.33 O ATOM 0 H GLY A 34 -10.518 -8.100 -6.338 1.00 72.42 H new ATOM 0 HA2 GLY A 34 -11.546 -6.964 -8.143 1.00 71.14 H new ATOM 0 HA3 GLY A 34 -13.064 -7.774 -7.812 1.00 71.14 H new ATOM 534 N TYR A 35 -12.475 -6.204 -5.184 1.00 21.44 N ATOM 535 CA TYR A 35 -12.825 -5.091 -4.287 1.00 15.52 C ATOM 536 C TYR A 35 -11.589 -4.250 -3.929 1.00 23.33 C ATOM 537 O TYR A 35 -11.590 -3.502 -2.947 1.00 14.23 O ATOM 538 CB TYR A 35 -13.493 -5.625 -3.010 1.00 13.34 C ATOM 539 CG TYR A 35 -14.868 -6.229 -3.245 1.00 1.23 C ATOM 540 CD1 TYR A 35 -16.009 -5.430 -3.236 1.00 13.51 C ATOM 541 CD2 TYR A 35 -15.027 -7.592 -3.473 1.00 51.25 C ATOM 542 CE1 TYR A 35 -17.262 -5.970 -3.444 1.00 54.32 C ATOM 543 CE2 TYR A 35 -16.279 -8.140 -3.682 1.00 63.12 C ATOM 544 CZ TYR A 35 -17.393 -7.324 -3.666 1.00 30.10 C ATOM 545 OH TYR A 35 -18.645 -7.861 -3.868 1.00 23.13 O ATOM 0 H TYR A 35 -12.096 -7.023 -4.708 1.00 21.44 H new ATOM 0 HA TYR A 35 -13.529 -4.446 -4.813 1.00 15.52 H new ATOM 0 HB2 TYR A 35 -12.847 -6.379 -2.561 1.00 13.34 H new ATOM 0 HB3 TYR A 35 -13.582 -4.812 -2.290 1.00 13.34 H new ATOM 0 HD1 TYR A 35 -15.911 -4.368 -3.063 1.00 13.51 H new ATOM 0 HD2 TYR A 35 -14.158 -8.233 -3.487 1.00 51.25 H new ATOM 0 HE1 TYR A 35 -18.135 -5.335 -3.433 1.00 54.32 H new ATOM 0 HE2 TYR A 35 -16.385 -9.200 -3.857 1.00 63.12 H new ATOM 0 HH TYR A 35 -18.567 -8.827 -4.011 1.00 23.13 H new ATOM 555 N ALA A 36 -10.554 -4.353 -4.761 1.00 74.04 N ATOM 556 CA ALA A 36 -9.278 -3.664 -4.534 1.00 3.03 C ATOM 557 C ALA A 36 -9.445 -2.144 -4.348 1.00 21.43 C ATOM 558 O ALA A 36 -8.776 -1.532 -3.510 1.00 61.23 O ATOM 559 CB ALA A 36 -8.331 -3.948 -5.694 1.00 34.53 C ATOM 0 H ALA A 36 -10.573 -4.915 -5.612 1.00 74.04 H new ATOM 0 HA ALA A 36 -8.861 -4.051 -3.604 1.00 3.03 H new ATOM 0 HB1 ALA A 36 -7.384 -3.436 -5.524 1.00 34.53 H new ATOM 0 HB2 ALA A 36 -8.155 -5.021 -5.766 1.00 34.53 H new ATOM 0 HB3 ALA A 36 -8.776 -3.590 -6.623 1.00 34.53 H new ATOM 565 N ARG A 37 -10.342 -1.543 -5.131 1.00 73.34 N ATOM 566 CA ARG A 37 -10.585 -0.095 -5.066 1.00 44.42 C ATOM 567 C ARG A 37 -11.032 0.346 -3.657 1.00 43.33 C ATOM 568 O ARG A 37 -10.679 1.432 -3.191 1.00 20.20 O ATOM 569 CB ARG A 37 -11.640 0.309 -6.114 1.00 62.53 C ATOM 570 CG ARG A 37 -13.071 -0.112 -5.769 1.00 20.14 C ATOM 571 CD ARG A 37 -14.028 0.092 -6.944 1.00 4.25 C ATOM 572 NE ARG A 37 -13.855 -0.931 -7.976 1.00 61.13 N ATOM 573 CZ ARG A 37 -13.305 -0.728 -9.146 1.00 53.12 C ATOM 574 NH1 ARG A 37 -12.870 0.442 -9.487 1.00 14.11 N ATOM 575 NH2 ARG A 37 -13.207 -1.707 -9.979 1.00 53.54 N ATOM 0 H ARG A 37 -10.914 -2.034 -5.819 1.00 73.34 H new ATOM 0 HA ARG A 37 -9.646 0.413 -5.286 1.00 44.42 H new ATOM 0 HB2 ARG A 37 -11.613 1.391 -6.239 1.00 62.53 H new ATOM 0 HB3 ARG A 37 -11.367 -0.130 -7.074 1.00 62.53 H new ATOM 0 HG2 ARG A 37 -13.079 -1.161 -5.473 1.00 20.14 H new ATOM 0 HG3 ARG A 37 -13.421 0.463 -4.912 1.00 20.14 H new ATOM 0 HD2 ARG A 37 -15.056 0.072 -6.582 1.00 4.25 H new ATOM 0 HD3 ARG A 37 -13.863 1.078 -7.379 1.00 4.25 H new ATOM 0 HE ARG A 37 -14.188 -1.872 -7.768 1.00 61.13 H new ATOM 0 HH11 ARG A 37 -12.953 1.226 -8.839 1.00 14.11 H new ATOM 0 HH12 ARG A 37 -12.444 0.581 -10.403 1.00 14.11 H new ATOM 0 HH21 ARG A 37 -13.557 -2.631 -9.724 1.00 53.54 H new ATOM 0 HH22 ARG A 37 -12.780 -1.558 -10.893 1.00 53.54 H new ATOM 589 N HIS A 38 -11.795 -0.509 -2.976 1.00 61.24 N ATOM 590 CA HIS A 38 -12.294 -0.194 -1.634 1.00 54.23 C ATOM 591 C HIS A 38 -11.202 -0.384 -0.571 1.00 3.42 C ATOM 592 O HIS A 38 -11.212 0.284 0.464 1.00 54.24 O ATOM 593 CB HIS A 38 -13.523 -1.046 -1.309 1.00 63.21 C ATOM 594 CG HIS A 38 -14.680 -0.774 -2.221 1.00 65.23 C ATOM 595 ND1 HIS A 38 -15.328 0.437 -2.211 1.00 33.23 N ATOM 596 CD2 HIS A 38 -15.250 -1.571 -3.158 1.00 1.05 C ATOM 597 CE1 HIS A 38 -16.267 0.355 -3.134 1.00 52.32 C ATOM 598 NE2 HIS A 38 -16.261 -0.842 -3.734 1.00 42.14 N ATOM 0 H HIS A 38 -12.081 -1.422 -3.328 1.00 61.24 H new ATOM 0 HA HIS A 38 -12.585 0.856 -1.621 1.00 54.23 H new ATOM 0 HB2 HIS A 38 -13.255 -2.101 -1.375 1.00 63.21 H new ATOM 0 HB3 HIS A 38 -13.827 -0.858 -0.279 1.00 63.21 H new ATOM 0 HD2 HIS A 38 -14.964 -2.583 -3.404 1.00 1.05 H new ATOM 0 HE1 HIS A 38 -16.954 1.153 -3.375 1.00 52.32 H new ATOM 0 HE2 HIS A 38 -16.887 -1.153 -4.477 1.00 42.14 H new ATOM 606 N VAL A 39 -10.258 -1.287 -0.834 1.00 24.23 N ATOM 607 CA VAL A 39 -9.084 -1.443 0.033 1.00 22.33 C ATOM 608 C VAL A 39 -8.294 -0.125 0.096 1.00 63.44 C ATOM 609 O VAL A 39 -7.850 0.305 1.165 1.00 33.02 O ATOM 610 CB VAL A 39 -8.153 -2.579 -0.467 1.00 71.15 C ATOM 611 CG1 VAL A 39 -6.950 -2.755 0.461 1.00 11.35 C ATOM 612 CG2 VAL A 39 -8.923 -3.891 -0.612 1.00 71.14 C ATOM 0 H VAL A 39 -10.280 -1.919 -1.634 1.00 24.23 H new ATOM 0 HA VAL A 39 -9.442 -1.707 1.028 1.00 22.33 H new ATOM 0 HB VAL A 39 -7.779 -2.294 -1.450 1.00 71.15 H new ATOM 0 HG11 VAL A 39 -6.315 -3.558 0.086 1.00 11.35 H new ATOM 0 HG12 VAL A 39 -6.379 -1.827 0.496 1.00 11.35 H new ATOM 0 HG13 VAL A 39 -7.297 -3.006 1.463 1.00 11.35 H new ATOM 0 HG21 VAL A 39 -8.249 -4.672 -0.964 1.00 71.14 H new ATOM 0 HG22 VAL A 39 -9.338 -4.178 0.354 1.00 71.14 H new ATOM 0 HG23 VAL A 39 -9.733 -3.760 -1.330 1.00 71.14 H new ATOM 622 N GLY A 40 -8.140 0.516 -1.066 1.00 51.35 N ATOM 623 CA GLY A 40 -7.505 1.828 -1.131 1.00 4.34 C ATOM 624 C GLY A 40 -8.278 2.898 -0.363 1.00 0.52 C ATOM 625 O GLY A 40 -7.685 3.720 0.335 1.00 14.11 O ATOM 0 H GLY A 40 -8.445 0.148 -1.967 1.00 51.35 H new ATOM 0 HA2 GLY A 40 -6.494 1.758 -0.729 1.00 4.34 H new ATOM 0 HA3 GLY A 40 -7.413 2.131 -2.174 1.00 4.34 H new ATOM 629 N LYS A 41 -9.606 2.890 -0.493 1.00 62.32 N ATOM 630 CA LYS A 41 -10.461 3.822 0.256 1.00 61.14 C ATOM 631 C LYS A 41 -10.300 3.625 1.774 1.00 72.33 C ATOM 632 O LYS A 41 -10.235 4.592 2.538 1.00 5.31 O ATOM 633 CB LYS A 41 -11.933 3.631 -0.141 1.00 20.11 C ATOM 634 CG LYS A 41 -12.205 3.859 -1.624 1.00 52.22 C ATOM 635 CD LYS A 41 -13.679 3.659 -1.968 1.00 42.23 C ATOM 636 CE LYS A 41 -13.936 3.817 -3.462 1.00 54.01 C ATOM 637 NZ LYS A 41 -13.528 5.157 -3.963 1.00 53.00 N ATOM 0 H LYS A 41 -10.114 2.253 -1.106 1.00 62.32 H new ATOM 0 HA LYS A 41 -10.150 4.836 0.006 1.00 61.14 H new ATOM 0 HB2 LYS A 41 -12.243 2.620 0.124 1.00 20.11 H new ATOM 0 HB3 LYS A 41 -12.549 4.317 0.441 1.00 20.11 H new ATOM 0 HG2 LYS A 41 -11.902 4.870 -1.898 1.00 52.22 H new ATOM 0 HG3 LYS A 41 -11.598 3.173 -2.214 1.00 52.22 H new ATOM 0 HD2 LYS A 41 -13.996 2.667 -1.647 1.00 42.23 H new ATOM 0 HD3 LYS A 41 -14.282 4.380 -1.417 1.00 42.23 H new ATOM 0 HE2 LYS A 41 -13.391 3.046 -4.006 1.00 54.01 H new ATOM 0 HE3 LYS A 41 -14.996 3.662 -3.665 1.00 54.01 H new ATOM 0 HZ1 LYS A 41 -13.872 5.283 -4.936 1.00 53.00 H new ATOM 0 HZ2 LYS A 41 -13.935 5.894 -3.353 1.00 53.00 H new ATOM 0 HZ3 LYS A 41 -12.491 5.231 -3.951 1.00 53.00 H new ATOM 651 N ALA A 42 -10.237 2.363 2.200 1.00 55.22 N ATOM 652 CA ALA A 42 -10.048 2.026 3.615 1.00 22.43 C ATOM 653 C ALA A 42 -8.723 2.589 4.154 1.00 2.23 C ATOM 654 O ALA A 42 -8.704 3.320 5.144 1.00 50.01 O ATOM 655 CB ALA A 42 -10.100 0.513 3.804 1.00 4.14 C ATOM 0 H ALA A 42 -10.314 1.553 1.584 1.00 55.22 H new ATOM 0 HA ALA A 42 -10.858 2.484 4.183 1.00 22.43 H new ATOM 0 HB1 ALA A 42 -9.959 0.273 4.858 1.00 4.14 H new ATOM 0 HB2 ALA A 42 -11.069 0.138 3.473 1.00 4.14 H new ATOM 0 HB3 ALA A 42 -9.310 0.046 3.216 1.00 4.14 H new ATOM 661 N LEU A 43 -7.621 2.256 3.482 1.00 71.55 N ATOM 662 CA LEU A 43 -6.293 2.738 3.882 1.00 53.12 C ATOM 663 C LEU A 43 -6.203 4.270 3.812 1.00 31.22 C ATOM 664 O LEU A 43 -5.599 4.909 4.675 1.00 71.41 O ATOM 665 CB LEU A 43 -5.208 2.103 3.001 1.00 4.03 C ATOM 666 CG LEU A 43 -5.147 0.568 3.049 1.00 42.31 C ATOM 667 CD1 LEU A 43 -4.011 0.044 2.177 1.00 22.33 C ATOM 668 CD2 LEU A 43 -4.996 0.080 4.488 1.00 1.13 C ATOM 0 H LEU A 43 -7.618 1.655 2.658 1.00 71.55 H new ATOM 0 HA LEU A 43 -6.131 2.441 4.918 1.00 53.12 H new ATOM 0 HB2 LEU A 43 -5.372 2.413 1.969 1.00 4.03 H new ATOM 0 HB3 LEU A 43 -4.238 2.500 3.302 1.00 4.03 H new ATOM 0 HG LEU A 43 -6.084 0.177 2.653 1.00 42.31 H new ATOM 0 HD11 LEU A 43 -3.987 -1.045 2.226 1.00 22.33 H new ATOM 0 HD12 LEU A 43 -4.170 0.357 1.145 1.00 22.33 H new ATOM 0 HD13 LEU A 43 -3.063 0.445 2.535 1.00 22.33 H new ATOM 0 HD21 LEU A 43 -4.955 -1.009 4.500 1.00 1.13 H new ATOM 0 HD22 LEU A 43 -4.077 0.483 4.914 1.00 1.13 H new ATOM 0 HD23 LEU A 43 -5.848 0.418 5.078 1.00 1.13 H new ATOM 680 N GLY A 44 -6.825 4.851 2.790 1.00 72.11 N ATOM 681 CA GLY A 44 -6.827 6.301 2.628 1.00 44.01 C ATOM 682 C GLY A 44 -7.635 7.030 3.700 1.00 72.11 C ATOM 683 O GLY A 44 -7.476 8.235 3.895 1.00 71.13 O ATOM 0 H GLY A 44 -7.332 4.343 2.065 1.00 72.11 H new ATOM 0 HA2 GLY A 44 -5.799 6.663 2.649 1.00 44.01 H new ATOM 0 HA3 GLY A 44 -7.232 6.549 1.647 1.00 44.01 H new ATOM 687 N ASN A 45 -8.510 6.301 4.398 1.00 22.14 N ATOM 688 CA ASN A 45 -9.338 6.888 5.459 1.00 14.20 C ATOM 689 C ASN A 45 -8.769 6.570 6.858 1.00 22.42 C ATOM 690 O ASN A 45 -9.364 6.926 7.879 1.00 4.22 O ATOM 691 CB ASN A 45 -10.779 6.375 5.335 1.00 64.41 C ATOM 692 CG ASN A 45 -11.764 7.165 6.183 1.00 50.24 C ATOM 693 OD1 ASN A 45 -11.576 8.349 6.434 1.00 40.13 O ATOM 694 ND2 ASN A 45 -12.822 6.521 6.626 1.00 73.23 N ATOM 0 H ASN A 45 -8.664 5.304 4.249 1.00 22.14 H new ATOM 0 HA ASN A 45 -9.331 7.971 5.340 1.00 14.20 H new ATOM 0 HB2 ASN A 45 -11.087 6.422 4.291 1.00 64.41 H new ATOM 0 HB3 ASN A 45 -10.813 5.326 5.630 1.00 64.41 H new ATOM 0 HD21 ASN A 45 -13.514 7.008 7.196 1.00 73.23 H new ATOM 0 HD22 ASN A 45 -12.950 5.535 6.400 1.00 73.23 H new ATOM 701 N LEU A 46 -7.625 5.890 6.897 1.00 44.31 N ATOM 702 CA LEU A 46 -6.947 5.583 8.163 1.00 25.12 C ATOM 703 C LEU A 46 -6.177 6.803 8.695 1.00 54.52 C ATOM 704 O LEU A 46 -5.803 7.698 7.930 1.00 2.43 O ATOM 705 CB LEU A 46 -5.976 4.401 7.978 1.00 2.44 C ATOM 706 CG LEU A 46 -6.632 3.020 7.809 1.00 51.51 C ATOM 707 CD1 LEU A 46 -5.579 1.950 7.538 1.00 44.50 C ATOM 708 CD2 LEU A 46 -7.452 2.660 9.047 1.00 61.20 C ATOM 0 H LEU A 46 -7.145 5.539 6.068 1.00 44.31 H new ATOM 0 HA LEU A 46 -7.713 5.314 8.891 1.00 25.12 H new ATOM 0 HB2 LEU A 46 -5.355 4.598 7.104 1.00 2.44 H new ATOM 0 HB3 LEU A 46 -5.310 4.363 8.840 1.00 2.44 H new ATOM 0 HG LEU A 46 -7.302 3.065 6.951 1.00 51.51 H new ATOM 0 HD11 LEU A 46 -6.066 0.982 7.422 1.00 44.50 H new ATOM 0 HD12 LEU A 46 -5.037 2.196 6.625 1.00 44.50 H new ATOM 0 HD13 LEU A 46 -4.880 1.907 8.374 1.00 44.50 H new ATOM 0 HD21 LEU A 46 -7.908 1.680 8.909 1.00 61.20 H new ATOM 0 HD22 LEU A 46 -6.801 2.637 9.921 1.00 61.20 H new ATOM 0 HD23 LEU A 46 -8.233 3.406 9.196 1.00 61.20 H new ATOM 720 N PRO A 47 -5.936 6.868 10.022 1.00 42.53 N ATOM 721 CA PRO A 47 -5.110 7.929 10.615 1.00 34.25 C ATOM 722 C PRO A 47 -3.668 7.913 10.071 1.00 34.13 C ATOM 723 O PRO A 47 -3.079 6.845 9.873 1.00 75.21 O ATOM 724 CB PRO A 47 -5.138 7.621 12.123 1.00 42.21 C ATOM 725 CG PRO A 47 -5.552 6.190 12.222 1.00 13.51 C ATOM 726 CD PRO A 47 -6.452 5.936 11.043 1.00 53.35 C ATOM 0 HA PRO A 47 -5.489 8.923 10.377 1.00 34.25 H new ATOM 0 HB2 PRO A 47 -4.159 7.780 12.576 1.00 42.21 H new ATOM 0 HB3 PRO A 47 -5.840 8.271 12.645 1.00 42.21 H new ATOM 0 HG2 PRO A 47 -4.684 5.530 12.200 1.00 13.51 H new ATOM 0 HG3 PRO A 47 -6.074 5.999 13.160 1.00 13.51 H new ATOM 0 HD2 PRO A 47 -6.396 4.900 10.709 1.00 53.35 H new ATOM 0 HD3 PRO A 47 -7.496 6.138 11.282 1.00 53.35 H new ATOM 734 N GLU A 48 -3.117 9.108 9.845 1.00 71.31 N ATOM 735 CA GLU A 48 -1.793 9.282 9.224 1.00 32.21 C ATOM 736 C GLU A 48 -0.741 8.303 9.782 1.00 50.02 C ATOM 737 O GLU A 48 0.081 7.767 9.033 1.00 63.12 O ATOM 738 CB GLU A 48 -1.332 10.735 9.424 1.00 43.21 C ATOM 739 CG GLU A 48 -0.083 11.117 8.636 1.00 21.23 C ATOM 740 CD GLU A 48 0.235 12.604 8.733 1.00 54.31 C ATOM 741 OE1 GLU A 48 -0.592 13.423 8.279 1.00 5.13 O ATOM 742 OE2 GLU A 48 1.314 12.964 9.255 1.00 3.44 O ATOM 0 H GLU A 48 -3.574 9.987 10.087 1.00 71.31 H new ATOM 0 HA GLU A 48 -1.890 9.059 8.161 1.00 32.21 H new ATOM 0 HB2 GLU A 48 -2.145 11.403 9.139 1.00 43.21 H new ATOM 0 HB3 GLU A 48 -1.142 10.900 10.485 1.00 43.21 H new ATOM 0 HG2 GLU A 48 0.766 10.542 9.006 1.00 21.23 H new ATOM 0 HG3 GLU A 48 -0.220 10.845 7.589 1.00 21.23 H new ATOM 749 N GLY A 49 -0.782 8.062 11.090 1.00 0.32 N ATOM 750 CA GLY A 49 0.154 7.133 11.715 1.00 63.33 C ATOM 751 C GLY A 49 -0.531 5.996 12.474 1.00 34.15 C ATOM 752 O GLY A 49 -0.277 5.798 13.665 1.00 74.34 O ATOM 0 H GLY A 49 -1.447 8.493 11.732 1.00 0.32 H new ATOM 0 HA2 GLY A 49 0.800 6.709 10.947 1.00 63.33 H new ATOM 0 HA3 GLY A 49 0.796 7.684 12.403 1.00 63.33 H new ATOM 756 N SER A 50 -1.400 5.249 11.788 1.00 24.02 N ATOM 757 CA SER A 50 -2.093 4.092 12.390 1.00 62.40 C ATOM 758 C SER A 50 -1.123 2.972 12.808 1.00 33.21 C ATOM 759 O SER A 50 0.057 2.976 12.449 1.00 44.33 O ATOM 760 CB SER A 50 -3.121 3.515 11.402 1.00 74.12 C ATOM 761 OG SER A 50 -3.742 2.345 11.920 1.00 44.21 O ATOM 0 H SER A 50 -1.645 5.420 10.813 1.00 24.02 H new ATOM 0 HA SER A 50 -2.590 4.460 13.288 1.00 62.40 H new ATOM 0 HB2 SER A 50 -3.881 4.266 11.186 1.00 74.12 H new ATOM 0 HB3 SER A 50 -2.628 3.279 10.459 1.00 74.12 H new ATOM 0 HG SER A 50 -4.391 2.004 11.270 1.00 44.21 H new ATOM 767 N LYS A 51 -1.637 2.010 13.573 1.00 43.43 N ATOM 768 CA LYS A 51 -0.872 0.812 13.936 1.00 34.04 C ATOM 769 C LYS A 51 -0.577 -0.028 12.684 1.00 55.33 C ATOM 770 O LYS A 51 0.469 -0.674 12.577 1.00 21.01 O ATOM 771 CB LYS A 51 -1.655 -0.018 14.964 1.00 22.41 C ATOM 772 CG LYS A 51 -0.913 -1.252 15.474 1.00 73.30 C ATOM 773 CD LYS A 51 -1.734 -2.020 16.509 1.00 3.23 C ATOM 774 CE LYS A 51 -0.961 -3.206 17.085 1.00 51.43 C ATOM 775 NZ LYS A 51 -0.570 -4.186 16.039 1.00 0.25 N ATOM 0 H LYS A 51 -2.582 2.035 13.956 1.00 43.43 H new ATOM 0 HA LYS A 51 0.076 1.118 14.380 1.00 34.04 H new ATOM 0 HB2 LYS A 51 -1.904 0.618 15.813 1.00 22.41 H new ATOM 0 HB3 LYS A 51 -2.597 -0.334 14.516 1.00 22.41 H new ATOM 0 HG2 LYS A 51 -0.680 -1.908 14.636 1.00 73.30 H new ATOM 0 HG3 LYS A 51 0.036 -0.949 15.915 1.00 73.30 H new ATOM 0 HD2 LYS A 51 -2.021 -1.347 17.317 1.00 3.23 H new ATOM 0 HD3 LYS A 51 -2.656 -2.376 16.049 1.00 3.23 H new ATOM 0 HE2 LYS A 51 -0.067 -2.843 17.592 1.00 51.43 H new ATOM 0 HE3 LYS A 51 -1.573 -3.705 17.837 1.00 51.43 H new ATOM 0 HZ1 LYS A 51 -0.155 -5.027 16.489 1.00 0.25 H new ATOM 0 HZ2 LYS A 51 -1.410 -4.465 15.493 1.00 0.25 H new ATOM 0 HZ3 LYS A 51 0.129 -3.753 15.402 1.00 0.25 H new ATOM 789 N LEU A 52 -1.508 0.007 11.735 1.00 51.34 N ATOM 790 CA LEU A 52 -1.359 -0.691 10.455 1.00 4.01 C ATOM 791 C LEU A 52 -0.563 0.163 9.454 1.00 3.10 C ATOM 792 O LEU A 52 -0.905 1.325 9.214 1.00 61.40 O ATOM 793 CB LEU A 52 -2.743 -0.996 9.864 1.00 33.34 C ATOM 794 CG LEU A 52 -2.735 -1.696 8.494 1.00 42.13 C ATOM 795 CD1 LEU A 52 -2.300 -3.150 8.624 1.00 32.23 C ATOM 796 CD2 LEU A 52 -4.101 -1.592 7.829 1.00 64.41 C ATOM 0 H LEU A 52 -2.386 0.518 11.828 1.00 51.34 H new ATOM 0 HA LEU A 52 -0.818 -1.620 10.636 1.00 4.01 H new ATOM 0 HB2 LEU A 52 -3.291 -1.621 10.569 1.00 33.34 H new ATOM 0 HB3 LEU A 52 -3.294 -0.060 9.772 1.00 33.34 H new ATOM 0 HG LEU A 52 -2.009 -1.188 7.859 1.00 42.13 H new ATOM 0 HD11 LEU A 52 -2.304 -3.620 7.641 1.00 32.23 H new ATOM 0 HD12 LEU A 52 -1.295 -3.193 9.043 1.00 32.23 H new ATOM 0 HD13 LEU A 52 -2.990 -3.679 9.281 1.00 32.23 H new ATOM 0 HD21 LEU A 52 -4.074 -2.093 6.861 1.00 64.41 H new ATOM 0 HD22 LEU A 52 -4.851 -2.066 8.462 1.00 64.41 H new ATOM 0 HD23 LEU A 52 -4.357 -0.542 7.687 1.00 64.41 H new ATOM 808 N PRO A 53 0.511 -0.382 8.851 1.00 42.24 N ATOM 809 CA PRO A 53 1.246 0.336 7.805 1.00 65.13 C ATOM 810 C PRO A 53 0.461 0.371 6.481 1.00 43.11 C ATOM 811 O PRO A 53 0.524 -0.558 5.676 1.00 53.21 O ATOM 812 CB PRO A 53 2.544 -0.476 7.669 1.00 41.13 C ATOM 813 CG PRO A 53 2.167 -1.861 8.084 1.00 2.51 C ATOM 814 CD PRO A 53 1.096 -1.709 9.140 1.00 24.41 C ATOM 0 HA PRO A 53 1.421 1.383 8.052 1.00 65.13 H new ATOM 0 HB2 PRO A 53 2.918 -0.457 6.645 1.00 41.13 H new ATOM 0 HB3 PRO A 53 3.332 -0.073 8.304 1.00 41.13 H new ATOM 0 HG2 PRO A 53 1.797 -2.435 7.234 1.00 2.51 H new ATOM 0 HG3 PRO A 53 3.030 -2.397 8.479 1.00 2.51 H new ATOM 0 HD2 PRO A 53 0.349 -2.500 9.071 1.00 24.41 H new ATOM 0 HD3 PRO A 53 1.515 -1.753 10.145 1.00 24.41 H new ATOM 822 N TRP A 54 -0.269 1.463 6.261 1.00 61.15 N ATOM 823 CA TRP A 54 -1.127 1.611 5.075 1.00 61.02 C ATOM 824 C TRP A 54 -0.319 2.007 3.829 1.00 62.11 C ATOM 825 O TRP A 54 -0.651 1.626 2.706 1.00 73.51 O ATOM 826 CB TRP A 54 -2.228 2.652 5.352 1.00 74.34 C ATOM 827 CG TRP A 54 -1.709 3.995 5.803 1.00 21.10 C ATOM 828 CD1 TRP A 54 -1.451 4.387 7.089 1.00 51.22 C ATOM 829 CD2 TRP A 54 -1.398 5.123 4.973 1.00 74.34 C ATOM 830 NE1 TRP A 54 -0.989 5.680 7.104 1.00 44.33 N ATOM 831 CE2 TRP A 54 -0.949 6.154 5.820 1.00 15.00 C ATOM 832 CE3 TRP A 54 -1.449 5.360 3.595 1.00 44.34 C ATOM 833 CZ2 TRP A 54 -0.558 7.399 5.336 1.00 73.24 C ATOM 834 CZ3 TRP A 54 -1.060 6.596 3.116 1.00 51.41 C ATOM 835 CH2 TRP A 54 -0.619 7.602 3.985 1.00 62.14 C ATOM 0 H TRP A 54 -0.287 2.266 6.890 1.00 61.15 H new ATOM 0 HA TRP A 54 -1.585 0.643 4.871 1.00 61.02 H new ATOM 0 HB2 TRP A 54 -2.819 2.789 4.447 1.00 74.34 H new ATOM 0 HB3 TRP A 54 -2.900 2.260 6.115 1.00 74.34 H new ATOM 0 HD1 TRP A 54 -1.590 3.769 7.964 1.00 51.22 H new ATOM 0 HE1 TRP A 54 -0.719 6.203 7.937 1.00 44.33 H new ATOM 0 HE3 TRP A 54 -1.787 4.590 2.917 1.00 44.34 H new ATOM 0 HZ2 TRP A 54 -0.219 8.177 6.004 1.00 73.24 H new ATOM 0 HZ3 TRP A 54 -1.097 6.790 2.054 1.00 51.41 H new ATOM 0 HH2 TRP A 54 -0.321 8.558 3.580 1.00 62.14 H new ATOM 846 N PHE A 55 0.754 2.754 4.046 1.00 63.32 N ATOM 847 CA PHE A 55 1.583 3.287 2.958 1.00 22.35 C ATOM 848 C PHE A 55 2.269 2.188 2.121 1.00 25.22 C ATOM 849 O PHE A 55 2.661 2.433 0.981 1.00 25.55 O ATOM 850 CB PHE A 55 2.626 4.255 3.538 1.00 55.53 C ATOM 851 CG PHE A 55 3.400 3.698 4.711 1.00 71.23 C ATOM 852 CD1 PHE A 55 2.922 3.844 6.009 1.00 31.03 C ATOM 853 CD2 PHE A 55 4.604 3.038 4.521 1.00 21.44 C ATOM 854 CE1 PHE A 55 3.628 3.341 7.085 1.00 33.02 C ATOM 855 CE2 PHE A 55 5.312 2.535 5.594 1.00 52.20 C ATOM 856 CZ PHE A 55 4.825 2.685 6.877 1.00 63.35 C ATOM 0 H PHE A 55 1.080 3.011 4.978 1.00 63.32 H new ATOM 0 HA PHE A 55 0.919 3.816 2.274 1.00 22.35 H new ATOM 0 HB2 PHE A 55 3.328 4.530 2.751 1.00 55.53 H new ATOM 0 HB3 PHE A 55 2.123 5.170 3.850 1.00 55.53 H new ATOM 0 HD1 PHE A 55 1.987 4.357 6.178 1.00 31.03 H new ATOM 0 HD2 PHE A 55 4.993 2.916 3.521 1.00 21.44 H new ATOM 0 HE1 PHE A 55 3.244 3.461 8.087 1.00 33.02 H new ATOM 0 HE2 PHE A 55 6.249 2.023 5.429 1.00 52.20 H new ATOM 0 HZ PHE A 55 5.379 2.290 7.716 1.00 63.35 H new ATOM 866 N ARG A 56 2.390 0.977 2.671 1.00 73.30 N ATOM 867 CA ARG A 56 3.082 -0.125 1.979 1.00 44.43 C ATOM 868 C ARG A 56 2.212 -0.771 0.880 1.00 10.53 C ATOM 869 O ARG A 56 2.630 -1.735 0.234 1.00 13.33 O ATOM 870 CB ARG A 56 3.531 -1.198 2.985 1.00 64.31 C ATOM 871 CG ARG A 56 4.586 -0.717 3.983 1.00 72.03 C ATOM 872 CD ARG A 56 5.041 -1.837 4.917 1.00 41.10 C ATOM 873 NE ARG A 56 6.010 -1.369 5.910 1.00 20.42 N ATOM 874 CZ ARG A 56 6.317 -2.011 7.006 1.00 22.33 C ATOM 875 NH1 ARG A 56 5.835 -3.186 7.250 1.00 40.01 N ATOM 876 NH2 ARG A 56 7.144 -1.486 7.845 1.00 63.43 N ATOM 0 H ARG A 56 2.021 0.731 3.589 1.00 73.30 H new ATOM 0 HA ARG A 56 3.956 0.310 1.494 1.00 44.43 H new ATOM 0 HB2 ARG A 56 2.659 -1.551 3.536 1.00 64.31 H new ATOM 0 HB3 ARG A 56 3.928 -2.052 2.436 1.00 64.31 H new ATOM 0 HG2 ARG A 56 5.446 -0.325 3.441 1.00 72.03 H new ATOM 0 HG3 ARG A 56 4.180 0.105 4.573 1.00 72.03 H new ATOM 0 HD2 ARG A 56 4.174 -2.257 5.427 1.00 41.10 H new ATOM 0 HD3 ARG A 56 5.485 -2.640 4.329 1.00 41.10 H new ATOM 0 HE ARG A 56 6.478 -0.480 5.734 1.00 20.42 H new ATOM 0 HH11 ARG A 56 5.204 -3.627 6.581 1.00 40.01 H new ATOM 0 HH12 ARG A 56 6.086 -3.672 8.111 1.00 40.01 H new ATOM 0 HH21 ARG A 56 7.556 -0.573 7.652 1.00 63.43 H new ATOM 0 HH22 ARG A 56 7.386 -1.984 8.702 1.00 63.43 H new ATOM 890 N VAL A 57 1.003 -0.249 0.665 1.00 52.40 N ATOM 891 CA VAL A 57 0.107 -0.789 -0.367 1.00 22.43 C ATOM 892 C VAL A 57 -0.288 0.292 -1.391 1.00 62.44 C ATOM 893 O VAL A 57 -0.798 1.358 -1.030 1.00 51.32 O ATOM 894 CB VAL A 57 -1.176 -1.395 0.255 1.00 22.51 C ATOM 895 CG1 VAL A 57 -1.975 -2.167 -0.797 1.00 51.21 C ATOM 896 CG2 VAL A 57 -0.837 -2.295 1.443 1.00 2.52 C ATOM 0 H VAL A 57 0.621 0.541 1.185 1.00 52.40 H new ATOM 0 HA VAL A 57 0.659 -1.578 -0.878 1.00 22.43 H new ATOM 0 HB VAL A 57 -1.793 -0.574 0.620 1.00 22.51 H new ATOM 0 HG11 VAL A 57 -2.872 -2.584 -0.339 1.00 51.21 H new ATOM 0 HG12 VAL A 57 -2.260 -1.493 -1.604 1.00 51.21 H new ATOM 0 HG13 VAL A 57 -1.363 -2.975 -1.198 1.00 51.21 H new ATOM 0 HG21 VAL A 57 -1.755 -2.707 1.861 1.00 2.52 H new ATOM 0 HG22 VAL A 57 -0.192 -3.109 1.111 1.00 2.52 H new ATOM 0 HG23 VAL A 57 -0.321 -1.712 2.206 1.00 2.52 H new ATOM 906 N ILE A 58 -0.056 0.005 -2.672 1.00 31.11 N ATOM 907 CA ILE A 58 -0.364 0.949 -3.759 1.00 61.24 C ATOM 908 C ILE A 58 -1.271 0.310 -4.826 1.00 41.33 C ATOM 909 O ILE A 58 -1.792 -0.794 -4.639 1.00 62.44 O ATOM 910 CB ILE A 58 0.932 1.467 -4.435 1.00 22.34 C ATOM 911 CG1 ILE A 58 1.756 0.296 -4.995 1.00 10.54 C ATOM 912 CG2 ILE A 58 1.756 2.295 -3.450 1.00 34.15 C ATOM 913 CD1 ILE A 58 3.013 0.723 -5.724 1.00 54.32 C ATOM 0 H ILE A 58 0.346 -0.877 -2.989 1.00 31.11 H new ATOM 0 HA ILE A 58 -0.893 1.787 -3.305 1.00 61.24 H new ATOM 0 HB ILE A 58 0.653 2.112 -5.269 1.00 22.34 H new ATOM 0 HG12 ILE A 58 2.031 -0.367 -4.175 1.00 10.54 H new ATOM 0 HG13 ILE A 58 1.131 -0.282 -5.676 1.00 10.54 H new ATOM 0 HG21 ILE A 58 2.662 2.650 -3.942 1.00 34.15 H new ATOM 0 HG22 ILE A 58 1.168 3.148 -3.111 1.00 34.15 H new ATOM 0 HG23 ILE A 58 2.027 1.678 -2.593 1.00 34.15 H new ATOM 0 HD11 ILE A 58 3.539 -0.159 -6.089 1.00 54.32 H new ATOM 0 HD12 ILE A 58 2.746 1.361 -6.566 1.00 54.32 H new ATOM 0 HD13 ILE A 58 3.660 1.275 -5.042 1.00 54.32 H new ATOM 925 N ASN A 59 -1.469 1.014 -5.943 1.00 2.01 N ATOM 926 CA ASN A 59 -2.330 0.522 -7.027 1.00 61.33 C ATOM 927 C ASN A 59 -1.674 -0.633 -7.816 1.00 2.55 C ATOM 928 O ASN A 59 -0.496 -0.937 -7.640 1.00 10.51 O ATOM 929 CB ASN A 59 -2.704 1.676 -7.976 1.00 12.10 C ATOM 930 CG ASN A 59 -1.497 2.360 -8.607 1.00 11.43 C ATOM 931 OD1 ASN A 59 -0.459 1.748 -8.832 1.00 54.01 O ATOM 932 ND2 ASN A 59 -1.630 3.631 -8.915 1.00 53.04 N ATOM 0 H ASN A 59 -1.047 1.925 -6.123 1.00 2.01 H new ATOM 0 HA ASN A 59 -3.236 0.125 -6.568 1.00 61.33 H new ATOM 0 HB2 ASN A 59 -3.348 1.291 -8.767 1.00 12.10 H new ATOM 0 HB3 ASN A 59 -3.284 2.416 -7.424 1.00 12.10 H new ATOM 0 HD21 ASN A 59 -0.858 4.133 -9.353 1.00 53.04 H new ATOM 0 HD22 ASN A 59 -2.506 4.115 -8.716 1.00 53.04 H new ATOM 939 N SER A 60 -2.447 -1.257 -8.705 1.00 11.34 N ATOM 940 CA SER A 60 -1.960 -2.391 -9.514 1.00 55.02 C ATOM 941 C SER A 60 -1.115 -1.926 -10.716 1.00 22.33 C ATOM 942 O SER A 60 -0.754 -2.723 -11.588 1.00 65.11 O ATOM 943 CB SER A 60 -3.147 -3.225 -10.008 1.00 62.04 C ATOM 944 OG SER A 60 -4.085 -2.411 -10.695 1.00 51.05 O ATOM 0 H SER A 60 -3.417 -1.000 -8.889 1.00 11.34 H new ATOM 0 HA SER A 60 -1.318 -2.998 -8.875 1.00 55.02 H new ATOM 0 HB2 SER A 60 -2.792 -4.015 -10.669 1.00 62.04 H new ATOM 0 HB3 SER A 60 -3.632 -3.712 -9.162 1.00 62.04 H new ATOM 0 HG SER A 60 -4.834 -2.963 -11.003 1.00 51.05 H new ATOM 950 N GLN A 61 -0.803 -0.634 -10.753 1.00 74.14 N ATOM 951 CA GLN A 61 0.023 -0.053 -11.816 1.00 61.51 C ATOM 952 C GLN A 61 1.496 0.030 -11.384 1.00 51.00 C ATOM 953 O GLN A 61 2.403 -0.359 -12.121 1.00 13.14 O ATOM 954 CB GLN A 61 -0.490 1.353 -12.166 1.00 73.24 C ATOM 955 CG GLN A 61 -1.937 1.385 -12.642 1.00 73.30 C ATOM 956 CD GLN A 61 -2.447 2.802 -12.853 1.00 21.44 C ATOM 957 OE1 GLN A 61 -2.323 3.369 -13.934 1.00 60.22 O ATOM 958 NE2 GLN A 61 -3.019 3.390 -11.822 1.00 24.13 N ATOM 0 H GLN A 61 -1.112 0.040 -10.053 1.00 74.14 H new ATOM 0 HA GLN A 61 -0.046 -0.698 -12.692 1.00 61.51 H new ATOM 0 HB2 GLN A 61 -0.393 1.993 -11.289 1.00 73.24 H new ATOM 0 HB3 GLN A 61 0.146 1.778 -12.942 1.00 73.24 H new ATOM 0 HG2 GLN A 61 -2.022 0.829 -13.575 1.00 73.30 H new ATOM 0 HG3 GLN A 61 -2.568 0.880 -11.911 1.00 73.30 H new ATOM 0 HE21 GLN A 61 -3.108 2.893 -10.936 1.00 24.13 H new ATOM 0 HE22 GLN A 61 -3.373 4.342 -11.910 1.00 24.13 H new ATOM 967 N GLY A 62 1.715 0.521 -10.167 1.00 4.54 N ATOM 968 CA GLY A 62 3.067 0.755 -9.671 1.00 3.50 C ATOM 969 C GLY A 62 3.294 2.210 -9.288 1.00 42.15 C ATOM 970 O GLY A 62 4.400 2.733 -9.424 1.00 32.52 O ATOM 0 H GLY A 62 0.975 0.764 -9.508 1.00 4.54 H new ATOM 0 HA2 GLY A 62 3.249 0.120 -8.804 1.00 3.50 H new ATOM 0 HA3 GLY A 62 3.788 0.465 -10.435 1.00 3.50 H new ATOM 974 N LYS A 63 2.241 2.866 -8.812 1.00 2.34 N ATOM 975 CA LYS A 63 2.303 4.283 -8.445 1.00 34.13 C ATOM 976 C LYS A 63 1.542 4.557 -7.143 1.00 35.41 C ATOM 977 O LYS A 63 0.722 3.749 -6.703 1.00 10.42 O ATOM 978 CB LYS A 63 1.714 5.152 -9.567 1.00 31.54 C ATOM 979 CG LYS A 63 2.467 5.069 -10.890 1.00 11.23 C ATOM 980 CD LYS A 63 1.809 5.936 -11.962 1.00 32.44 C ATOM 981 CE LYS A 63 2.548 5.862 -13.290 1.00 24.31 C ATOM 982 NZ LYS A 63 1.869 6.655 -14.348 1.00 33.11 N ATOM 0 H LYS A 63 1.326 2.438 -8.669 1.00 2.34 H new ATOM 0 HA LYS A 63 3.352 4.537 -8.296 1.00 34.13 H new ATOM 0 HB2 LYS A 63 0.678 4.856 -9.733 1.00 31.54 H new ATOM 0 HB3 LYS A 63 1.699 6.190 -9.236 1.00 31.54 H new ATOM 0 HG2 LYS A 63 3.499 5.389 -10.744 1.00 11.23 H new ATOM 0 HG3 LYS A 63 2.500 4.033 -11.227 1.00 11.23 H new ATOM 0 HD2 LYS A 63 0.777 5.616 -12.104 1.00 32.44 H new ATOM 0 HD3 LYS A 63 1.778 6.971 -11.622 1.00 32.44 H new ATOM 0 HE2 LYS A 63 3.566 6.228 -13.159 1.00 24.31 H new ATOM 0 HE3 LYS A 63 2.621 4.822 -13.607 1.00 24.31 H new ATOM 0 HZ1 LYS A 63 2.404 6.578 -15.237 1.00 33.11 H new ATOM 0 HZ2 LYS A 63 0.906 6.290 -14.491 1.00 33.11 H new ATOM 0 HZ3 LYS A 63 1.822 7.652 -14.058 1.00 33.11 H new ATOM 996 N ILE A 64 1.816 5.707 -6.541 1.00 1.44 N ATOM 997 CA ILE A 64 1.104 6.150 -5.347 1.00 52.14 C ATOM 998 C ILE A 64 -0.363 6.477 -5.681 1.00 53.11 C ATOM 999 O ILE A 64 -0.644 7.311 -6.544 1.00 33.25 O ATOM 1000 CB ILE A 64 1.794 7.391 -4.724 1.00 3.04 C ATOM 1001 CG1 ILE A 64 3.221 7.033 -4.273 1.00 4.35 C ATOM 1002 CG2 ILE A 64 0.978 7.948 -3.558 1.00 1.43 C ATOM 1003 CD1 ILE A 64 3.975 8.186 -3.646 1.00 41.44 C ATOM 0 H ILE A 64 2.533 6.356 -6.863 1.00 1.44 H new ATOM 0 HA ILE A 64 1.127 5.337 -4.621 1.00 52.14 H new ATOM 0 HB ILE A 64 1.854 8.169 -5.485 1.00 3.04 H new ATOM 0 HG12 ILE A 64 3.170 6.213 -3.557 1.00 4.35 H new ATOM 0 HG13 ILE A 64 3.783 6.670 -5.134 1.00 4.35 H new ATOM 0 HG21 ILE A 64 1.486 8.817 -3.141 1.00 1.43 H new ATOM 0 HG22 ILE A 64 -0.010 8.241 -3.913 1.00 1.43 H new ATOM 0 HG23 ILE A 64 0.875 7.184 -2.788 1.00 1.43 H new ATOM 0 HD11 ILE A 64 4.971 7.854 -3.355 1.00 41.44 H new ATOM 0 HD12 ILE A 64 4.060 9.000 -4.366 1.00 41.44 H new ATOM 0 HD13 ILE A 64 3.437 8.536 -2.765 1.00 41.44 H new ATOM 1015 N SER A 65 -1.287 5.802 -5.004 1.00 11.43 N ATOM 1016 CA SER A 65 -2.724 5.999 -5.238 1.00 34.00 C ATOM 1017 C SER A 65 -3.161 7.422 -4.876 1.00 4.12 C ATOM 1018 O SER A 65 -3.943 8.050 -5.591 1.00 32.20 O ATOM 1019 CB SER A 65 -3.534 4.996 -4.410 1.00 53.44 C ATOM 1020 OG SER A 65 -3.023 3.683 -4.561 1.00 65.10 O ATOM 0 H SER A 65 -1.071 5.111 -4.286 1.00 11.43 H new ATOM 0 HA SER A 65 -2.910 5.840 -6.300 1.00 34.00 H new ATOM 0 HB2 SER A 65 -3.507 5.282 -3.358 1.00 53.44 H new ATOM 0 HB3 SER A 65 -4.578 5.022 -4.721 1.00 53.44 H new ATOM 0 HG SER A 65 -3.357 3.117 -3.834 1.00 65.10 H new ATOM 1026 N LEU A 66 -2.644 7.918 -3.760 1.00 24.51 N ATOM 1027 CA LEU A 66 -2.994 9.250 -3.259 1.00 14.45 C ATOM 1028 C LEU A 66 -2.333 10.366 -4.090 1.00 1.11 C ATOM 1029 O LEU A 66 -1.359 10.134 -4.808 1.00 71.12 O ATOM 1030 CB LEU A 66 -2.579 9.370 -1.788 1.00 43.32 C ATOM 1031 CG LEU A 66 -3.200 8.328 -0.842 1.00 1.14 C ATOM 1032 CD1 LEU A 66 -2.675 8.509 0.581 1.00 74.12 C ATOM 1033 CD2 LEU A 66 -4.727 8.412 -0.870 1.00 15.25 C ATOM 0 H LEU A 66 -1.974 7.416 -3.176 1.00 24.51 H new ATOM 0 HA LEU A 66 -4.073 9.372 -3.349 1.00 14.45 H new ATOM 0 HB2 LEU A 66 -1.494 9.291 -1.726 1.00 43.32 H new ATOM 0 HB3 LEU A 66 -2.847 10.365 -1.432 1.00 43.32 H new ATOM 0 HG LEU A 66 -2.908 7.337 -1.189 1.00 1.14 H new ATOM 0 HD11 LEU A 66 -3.127 7.762 1.233 1.00 74.12 H new ATOM 0 HD12 LEU A 66 -1.592 8.388 0.587 1.00 74.12 H new ATOM 0 HD13 LEU A 66 -2.931 9.506 0.939 1.00 74.12 H new ATOM 0 HD21 LEU A 66 -5.145 7.666 -0.194 1.00 15.25 H new ATOM 0 HD22 LEU A 66 -5.043 9.406 -0.554 1.00 15.25 H new ATOM 0 HD23 LEU A 66 -5.083 8.224 -1.883 1.00 15.25 H new ATOM 1045 N LYS A 67 -2.866 11.581 -3.982 1.00 44.32 N ATOM 1046 CA LYS A 67 -2.356 12.729 -4.746 1.00 22.25 C ATOM 1047 C LYS A 67 -2.105 13.941 -3.837 1.00 4.34 C ATOM 1048 O LYS A 67 -2.374 13.895 -2.636 1.00 32.22 O ATOM 1049 CB LYS A 67 -3.348 13.113 -5.852 1.00 1.32 C ATOM 1050 CG LYS A 67 -4.718 13.527 -5.327 1.00 43.13 C ATOM 1051 CD LYS A 67 -5.660 13.941 -6.454 1.00 44.44 C ATOM 1052 CE LYS A 67 -7.050 14.280 -5.930 1.00 35.13 C ATOM 1053 NZ LYS A 67 -7.671 13.126 -5.228 1.00 11.14 N ATOM 0 H LYS A 67 -3.653 11.801 -3.372 1.00 44.32 H new ATOM 0 HA LYS A 67 -1.407 12.433 -5.193 1.00 22.25 H new ATOM 0 HB2 LYS A 67 -2.929 13.933 -6.436 1.00 1.32 H new ATOM 0 HB3 LYS A 67 -3.468 12.268 -6.530 1.00 1.32 H new ATOM 0 HG2 LYS A 67 -5.159 12.699 -4.772 1.00 43.13 H new ATOM 0 HG3 LYS A 67 -4.603 14.355 -4.628 1.00 43.13 H new ATOM 0 HD2 LYS A 67 -5.247 14.805 -6.975 1.00 44.44 H new ATOM 0 HD3 LYS A 67 -5.733 13.134 -7.183 1.00 44.44 H new ATOM 0 HE2 LYS A 67 -6.985 15.128 -5.248 1.00 35.13 H new ATOM 0 HE3 LYS A 67 -7.687 14.586 -6.760 1.00 35.13 H new ATOM 0 HZ1 LYS A 67 -8.693 13.291 -5.126 1.00 11.14 H new ATOM 0 HZ2 LYS A 67 -7.514 12.258 -5.780 1.00 11.14 H new ATOM 0 HZ3 LYS A 67 -7.242 13.020 -4.287 1.00 11.14 H new ATOM 1067 N GLY A 68 -1.584 15.021 -4.419 1.00 42.52 N ATOM 1068 CA GLY A 68 -1.331 16.244 -3.663 1.00 42.05 C ATOM 1069 C GLY A 68 -0.406 16.029 -2.468 1.00 40.22 C ATOM 1070 O GLY A 68 0.690 15.487 -2.616 1.00 32.44 O ATOM 0 H GLY A 68 -1.331 15.073 -5.406 1.00 42.52 H new ATOM 0 HA2 GLY A 68 -0.891 16.989 -4.326 1.00 42.05 H new ATOM 0 HA3 GLY A 68 -2.280 16.650 -3.312 1.00 42.05 H new ATOM 1074 N ARG A 69 -0.849 16.447 -1.283 1.00 11.43 N ATOM 1075 CA ARG A 69 -0.061 16.277 -0.056 1.00 74.12 C ATOM 1076 C ARG A 69 -0.087 14.816 0.407 1.00 44.22 C ATOM 1077 O ARG A 69 0.879 14.312 0.982 1.00 3.44 O ATOM 1078 CB ARG A 69 -0.594 17.189 1.058 1.00 3.22 C ATOM 1079 CG ARG A 69 -0.773 18.646 0.635 1.00 64.44 C ATOM 1080 CD ARG A 69 -0.986 19.559 1.839 1.00 74.13 C ATOM 1081 NE ARG A 69 0.223 19.650 2.656 1.00 12.23 N ATOM 1082 CZ ARG A 69 0.252 19.523 3.951 1.00 70.33 C ATOM 1083 NH1 ARG A 69 -0.827 19.283 4.621 1.00 60.21 N ATOM 1084 NH2 ARG A 69 1.375 19.630 4.580 1.00 21.10 N ATOM 0 H ARG A 69 -1.749 16.906 -1.143 1.00 11.43 H new ATOM 0 HA ARG A 69 0.970 16.555 -0.276 1.00 74.12 H new ATOM 0 HB2 ARG A 69 -1.552 16.801 1.404 1.00 3.22 H new ATOM 0 HB3 ARG A 69 0.091 17.149 1.905 1.00 3.22 H new ATOM 0 HG2 ARG A 69 0.105 18.975 0.080 1.00 64.44 H new ATOM 0 HG3 ARG A 69 -1.625 18.727 -0.039 1.00 64.44 H new ATOM 0 HD2 ARG A 69 -1.273 20.554 1.498 1.00 74.13 H new ATOM 0 HD3 ARG A 69 -1.809 19.180 2.445 1.00 74.13 H new ATOM 0 HE ARG A 69 1.106 19.825 2.177 1.00 12.23 H new ATOM 0 HH11 ARG A 69 -1.719 19.190 4.135 1.00 60.21 H new ATOM 0 HH12 ARG A 69 -0.786 19.186 5.636 1.00 60.21 H new ATOM 0 HH21 ARG A 69 2.234 19.813 4.062 1.00 21.10 H new ATOM 0 HH22 ARG A 69 1.403 19.531 5.595 1.00 21.10 H new ATOM 1098 N ASP A 70 -1.204 14.142 0.142 1.00 1.23 N ATOM 1099 CA ASP A 70 -1.360 12.724 0.464 1.00 51.43 C ATOM 1100 C ASP A 70 -0.299 11.879 -0.270 1.00 33.14 C ATOM 1101 O ASP A 70 0.164 10.854 0.241 1.00 53.20 O ATOM 1102 CB ASP A 70 -2.770 12.261 0.076 1.00 33.44 C ATOM 1103 CG ASP A 70 -3.867 13.076 0.741 1.00 35.45 C ATOM 1104 OD1 ASP A 70 -4.024 14.267 0.400 1.00 4.13 O ATOM 1105 OD2 ASP A 70 -4.583 12.530 1.608 1.00 62.52 O ATOM 0 H ASP A 70 -2.023 14.560 -0.300 1.00 1.23 H new ATOM 0 HA ASP A 70 -1.219 12.589 1.536 1.00 51.43 H new ATOM 0 HB2 ASP A 70 -2.883 12.325 -1.006 1.00 33.44 H new ATOM 0 HB3 ASP A 70 -2.889 11.212 0.347 1.00 33.44 H new ATOM 1110 N LEU A 71 0.082 12.329 -1.470 1.00 61.14 N ATOM 1111 CA LEU A 71 1.136 11.673 -2.255 1.00 13.30 C ATOM 1112 C LEU A 71 2.476 11.744 -1.508 1.00 62.03 C ATOM 1113 O LEU A 71 3.098 10.718 -1.231 1.00 61.23 O ATOM 1114 CB LEU A 71 1.239 12.329 -3.650 1.00 14.42 C ATOM 1115 CG LEU A 71 2.128 11.609 -4.692 1.00 21.30 C ATOM 1116 CD1 LEU A 71 1.754 12.051 -6.107 1.00 3.14 C ATOM 1117 CD2 LEU A 71 3.617 11.873 -4.441 1.00 43.51 C ATOM 0 H LEU A 71 -0.325 13.148 -1.921 1.00 61.14 H new ATOM 0 HA LEU A 71 0.882 10.622 -2.390 1.00 13.30 H new ATOM 0 HB2 LEU A 71 0.233 12.414 -4.061 1.00 14.42 H new ATOM 0 HB3 LEU A 71 1.618 13.343 -3.522 1.00 14.42 H new ATOM 0 HG LEU A 71 1.952 10.538 -4.590 1.00 21.30 H new ATOM 0 HD11 LEU A 71 2.388 11.536 -6.829 1.00 3.14 H new ATOM 0 HD12 LEU A 71 0.710 11.805 -6.301 1.00 3.14 H new ATOM 0 HD13 LEU A 71 1.897 13.127 -6.202 1.00 3.14 H new ATOM 0 HD21 LEU A 71 4.211 11.352 -5.192 1.00 43.51 H new ATOM 0 HD22 LEU A 71 3.812 12.944 -4.503 1.00 43.51 H new ATOM 0 HD23 LEU A 71 3.888 11.512 -3.449 1.00 43.51 H new ATOM 1129 N ASP A 72 2.914 12.964 -1.183 1.00 64.13 N ATOM 1130 CA ASP A 72 4.140 13.167 -0.400 1.00 12.13 C ATOM 1131 C ASP A 72 4.088 12.405 0.934 1.00 65.21 C ATOM 1132 O ASP A 72 5.097 11.887 1.404 1.00 13.41 O ATOM 1133 CB ASP A 72 4.356 14.660 -0.131 1.00 33.01 C ATOM 1134 CG ASP A 72 4.632 15.446 -1.398 1.00 32.31 C ATOM 1135 OD1 ASP A 72 3.671 15.782 -2.117 1.00 55.33 O ATOM 1136 OD2 ASP A 72 5.813 15.741 -1.674 1.00 74.13 O ATOM 0 H ASP A 72 2.439 13.827 -1.449 1.00 64.13 H new ATOM 0 HA ASP A 72 4.973 12.777 -0.984 1.00 12.13 H new ATOM 0 HB2 ASP A 72 3.473 15.068 0.361 1.00 33.01 H new ATOM 0 HB3 ASP A 72 5.191 14.784 0.559 1.00 33.01 H new ATOM 1141 N ARG A 73 2.906 12.355 1.540 1.00 41.31 N ATOM 1142 CA ARG A 73 2.700 11.654 2.813 1.00 35.14 C ATOM 1143 C ARG A 73 3.058 10.157 2.703 1.00 31.22 C ATOM 1144 O ARG A 73 3.934 9.663 3.422 1.00 62.02 O ATOM 1145 CB ARG A 73 1.243 11.835 3.252 1.00 41.02 C ATOM 1146 CG ARG A 73 0.910 11.243 4.617 1.00 71.52 C ATOM 1147 CD ARG A 73 -0.487 11.651 5.061 1.00 60.04 C ATOM 1148 NE ARG A 73 -0.613 13.107 5.161 1.00 54.22 N ATOM 1149 CZ ARG A 73 -1.677 13.785 4.822 1.00 51.15 C ATOM 1150 NH1 ARG A 73 -2.732 13.185 4.374 1.00 34.13 N ATOM 1151 NH2 ARG A 73 -1.675 15.073 4.932 1.00 12.12 N ATOM 0 H ARG A 73 2.064 12.796 1.169 1.00 41.31 H new ATOM 0 HA ARG A 73 3.365 12.084 3.562 1.00 35.14 H new ATOM 0 HB2 ARG A 73 1.012 12.900 3.267 1.00 41.02 H new ATOM 0 HB3 ARG A 73 0.593 11.379 2.505 1.00 41.02 H new ATOM 0 HG2 ARG A 73 0.979 10.156 4.573 1.00 71.52 H new ATOM 0 HG3 ARG A 73 1.642 11.579 5.352 1.00 71.52 H new ATOM 0 HD2 ARG A 73 -1.222 11.269 4.352 1.00 60.04 H new ATOM 0 HD3 ARG A 73 -0.710 11.198 6.027 1.00 60.04 H new ATOM 0 HE ARG A 73 0.187 13.628 5.521 1.00 54.22 H new ATOM 0 HH11 ARG A 73 -2.740 12.169 4.282 1.00 34.13 H new ATOM 0 HH12 ARG A 73 -3.555 13.728 4.113 1.00 34.13 H new ATOM 0 HH21 ARG A 73 -0.846 15.554 5.282 1.00 12.12 H new ATOM 0 HH22 ARG A 73 -2.502 15.609 4.669 1.00 12.12 H new ATOM 1165 N GLN A 74 2.386 9.445 1.797 1.00 21.43 N ATOM 1166 CA GLN A 74 2.679 8.025 1.561 1.00 43.53 C ATOM 1167 C GLN A 74 4.125 7.831 1.067 1.00 62.40 C ATOM 1168 O GLN A 74 4.820 6.911 1.501 1.00 52.44 O ATOM 1169 CB GLN A 74 1.674 7.432 0.553 1.00 53.10 C ATOM 1170 CG GLN A 74 1.977 5.989 0.146 1.00 33.53 C ATOM 1171 CD GLN A 74 0.846 5.333 -0.634 1.00 73.10 C ATOM 1172 OE1 GLN A 74 0.073 5.993 -1.320 1.00 43.33 O ATOM 1173 NE2 GLN A 74 0.756 4.022 -0.552 1.00 20.32 N ATOM 0 H GLN A 74 1.638 9.823 1.216 1.00 21.43 H new ATOM 0 HA GLN A 74 2.577 7.494 2.508 1.00 43.53 H new ATOM 0 HB2 GLN A 74 0.674 7.474 0.985 1.00 53.10 H new ATOM 0 HB3 GLN A 74 1.661 8.056 -0.341 1.00 53.10 H new ATOM 0 HG2 GLN A 74 2.884 5.972 -0.459 1.00 33.53 H new ATOM 0 HG3 GLN A 74 2.180 5.401 1.041 1.00 33.53 H new ATOM 0 HE21 GLN A 74 1.414 3.501 0.027 1.00 20.32 H new ATOM 0 HE22 GLN A 74 0.028 3.528 -1.068 1.00 20.32 H new ATOM 1182 N LYS A 75 4.570 8.722 0.178 1.00 12.13 N ATOM 1183 CA LYS A 75 5.939 8.684 -0.356 1.00 15.43 C ATOM 1184 C LYS A 75 6.989 8.697 0.768 1.00 71.23 C ATOM 1185 O LYS A 75 7.802 7.781 0.879 1.00 31.42 O ATOM 1186 CB LYS A 75 6.179 9.881 -1.289 1.00 74.13 C ATOM 1187 CG LYS A 75 7.581 9.919 -1.889 1.00 34.52 C ATOM 1188 CD LYS A 75 7.856 11.235 -2.617 1.00 24.31 C ATOM 1189 CE LYS A 75 9.287 11.300 -3.143 1.00 25.42 C ATOM 1190 NZ LYS A 75 9.630 12.655 -3.647 1.00 12.21 N ATOM 0 H LYS A 75 4.001 9.484 -0.191 1.00 12.13 H new ATOM 0 HA LYS A 75 6.045 7.753 -0.913 1.00 15.43 H new ATOM 0 HB2 LYS A 75 5.448 9.853 -2.097 1.00 74.13 H new ATOM 0 HB3 LYS A 75 6.006 10.803 -0.734 1.00 74.13 H new ATOM 0 HG2 LYS A 75 8.318 9.781 -1.098 1.00 34.52 H new ATOM 0 HG3 LYS A 75 7.701 9.088 -2.584 1.00 34.52 H new ATOM 0 HD2 LYS A 75 7.158 11.345 -3.447 1.00 24.31 H new ATOM 0 HD3 LYS A 75 7.679 12.070 -1.939 1.00 24.31 H new ATOM 0 HE2 LYS A 75 9.979 11.022 -2.348 1.00 25.42 H new ATOM 0 HE3 LYS A 75 9.413 10.572 -3.944 1.00 25.42 H new ATOM 0 HZ1 LYS A 75 10.610 12.658 -3.995 1.00 12.21 H new ATOM 0 HZ2 LYS A 75 8.986 12.910 -4.423 1.00 12.21 H new ATOM 0 HZ3 LYS A 75 9.535 13.347 -2.876 1.00 12.21 H new ATOM 1204 N GLN A 76 6.957 9.743 1.598 1.00 41.24 N ATOM 1205 CA GLN A 76 7.918 9.904 2.700 1.00 3.22 C ATOM 1206 C GLN A 76 7.978 8.662 3.599 1.00 1.12 C ATOM 1207 O GLN A 76 9.062 8.194 3.956 1.00 60.50 O ATOM 1208 CB GLN A 76 7.556 11.131 3.548 1.00 23.31 C ATOM 1209 CG GLN A 76 7.725 12.459 2.819 1.00 52.21 C ATOM 1210 CD GLN A 76 7.203 13.634 3.627 1.00 61.44 C ATOM 1211 OE1 GLN A 76 7.925 14.242 4.408 1.00 43.13 O ATOM 1212 NE2 GLN A 76 5.935 13.952 3.453 1.00 64.00 N ATOM 0 H GLN A 76 6.273 10.497 1.529 1.00 41.24 H new ATOM 0 HA GLN A 76 8.901 10.042 2.250 1.00 3.22 H new ATOM 0 HB2 GLN A 76 6.522 11.039 3.879 1.00 23.31 H new ATOM 0 HB3 GLN A 76 8.178 11.138 4.443 1.00 23.31 H new ATOM 0 HG2 GLN A 76 8.780 12.616 2.595 1.00 52.21 H new ATOM 0 HG3 GLN A 76 7.200 12.416 1.865 1.00 52.21 H new ATOM 0 HE21 GLN A 76 5.363 13.424 2.794 1.00 64.00 H new ATOM 0 HE22 GLN A 76 5.527 14.726 3.977 1.00 64.00 H new ATOM 1221 N LYS A 77 6.812 8.134 3.962 1.00 41.10 N ATOM 1222 CA LYS A 77 6.738 6.946 4.816 1.00 41.22 C ATOM 1223 C LYS A 77 7.406 5.722 4.159 1.00 43.11 C ATOM 1224 O LYS A 77 7.947 4.855 4.844 1.00 75.43 O ATOM 1225 CB LYS A 77 5.286 6.649 5.176 1.00 20.53 C ATOM 1226 CG LYS A 77 4.625 7.782 5.954 1.00 1.30 C ATOM 1227 CD LYS A 77 3.214 7.422 6.389 1.00 23.44 C ATOM 1228 CE LYS A 77 2.502 8.602 7.042 1.00 30.21 C ATOM 1229 NZ LYS A 77 3.251 9.132 8.213 1.00 23.43 N ATOM 0 H LYS A 77 5.906 8.507 3.680 1.00 41.10 H new ATOM 0 HA LYS A 77 7.292 7.156 5.731 1.00 41.22 H new ATOM 0 HB2 LYS A 77 4.721 6.464 4.263 1.00 20.53 H new ATOM 0 HB3 LYS A 77 5.243 5.735 5.768 1.00 20.53 H new ATOM 0 HG2 LYS A 77 5.226 8.019 6.832 1.00 1.30 H new ATOM 0 HG3 LYS A 77 4.597 8.679 5.335 1.00 1.30 H new ATOM 0 HD2 LYS A 77 2.642 7.086 5.524 1.00 23.44 H new ATOM 0 HD3 LYS A 77 3.252 6.588 7.090 1.00 23.44 H new ATOM 0 HE2 LYS A 77 2.370 9.396 6.307 1.00 30.21 H new ATOM 0 HE3 LYS A 77 1.506 8.293 7.359 1.00 30.21 H new ATOM 0 HZ1 LYS A 77 2.585 9.345 8.983 1.00 23.43 H new ATOM 0 HZ2 LYS A 77 3.938 8.421 8.536 1.00 23.43 H new ATOM 0 HZ3 LYS A 77 3.754 10.000 7.939 1.00 23.43 H new ATOM 1243 N LEU A 78 7.370 5.670 2.828 1.00 13.15 N ATOM 1244 CA LEU A 78 8.060 4.619 2.069 1.00 13.34 C ATOM 1245 C LEU A 78 9.571 4.903 1.975 1.00 62.22 C ATOM 1246 O LEU A 78 10.402 3.997 2.127 1.00 61.33 O ATOM 1247 CB LEU A 78 7.451 4.508 0.666 1.00 41.13 C ATOM 1248 CG LEU A 78 5.982 4.052 0.626 1.00 51.41 C ATOM 1249 CD1 LEU A 78 5.417 4.158 -0.786 1.00 12.41 C ATOM 1250 CD2 LEU A 78 5.845 2.625 1.153 1.00 51.13 C ATOM 0 H LEU A 78 6.870 6.344 2.249 1.00 13.15 H new ATOM 0 HA LEU A 78 7.930 3.673 2.594 1.00 13.34 H new ATOM 0 HB2 LEU A 78 7.527 5.479 0.176 1.00 41.13 H new ATOM 0 HB3 LEU A 78 8.048 3.808 0.082 1.00 41.13 H new ATOM 0 HG LEU A 78 5.406 4.714 1.273 1.00 51.41 H new ATOM 0 HD11 LEU A 78 4.378 3.830 -0.788 1.00 12.41 H new ATOM 0 HD12 LEU A 78 5.471 5.193 -1.123 1.00 12.41 H new ATOM 0 HD13 LEU A 78 5.998 3.527 -1.459 1.00 12.41 H new ATOM 0 HD21 LEU A 78 4.799 2.322 1.116 1.00 51.13 H new ATOM 0 HD22 LEU A 78 6.440 1.951 0.537 1.00 51.13 H new ATOM 0 HD23 LEU A 78 6.199 2.582 2.183 1.00 51.13 H new ATOM 1262 N GLU A 79 9.924 6.168 1.732 1.00 51.10 N ATOM 1263 CA GLU A 79 11.332 6.589 1.681 1.00 3.01 C ATOM 1264 C GLU A 79 12.054 6.258 2.993 1.00 0.10 C ATOM 1265 O GLU A 79 13.208 5.827 2.989 1.00 64.13 O ATOM 1266 CB GLU A 79 11.440 8.097 1.412 1.00 41.44 C ATOM 1267 CG GLU A 79 10.845 8.540 0.081 1.00 51.53 C ATOM 1268 CD GLU A 79 11.004 10.033 -0.146 1.00 53.05 C ATOM 1269 OE1 GLU A 79 10.133 10.809 0.299 1.00 11.52 O ATOM 1270 OE2 GLU A 79 12.012 10.445 -0.753 1.00 35.42 O ATOM 0 H GLU A 79 9.256 6.921 1.567 1.00 51.10 H new ATOM 0 HA GLU A 79 11.807 6.042 0.866 1.00 3.01 H new ATOM 0 HB2 GLU A 79 10.940 8.635 2.217 1.00 41.44 H new ATOM 0 HB3 GLU A 79 12.491 8.385 1.441 1.00 41.44 H new ATOM 0 HG2 GLU A 79 11.329 7.997 -0.731 1.00 51.53 H new ATOM 0 HG3 GLU A 79 9.787 8.280 0.053 1.00 51.53 H new ATOM 1277 N ALA A 80 11.355 6.451 4.113 1.00 61.12 N ATOM 1278 CA ALA A 80 11.900 6.151 5.443 1.00 3.20 C ATOM 1279 C ALA A 80 12.299 4.672 5.580 1.00 3.33 C ATOM 1280 O ALA A 80 13.151 4.319 6.399 1.00 73.43 O ATOM 1281 CB ALA A 80 10.887 6.529 6.521 1.00 21.05 C ATOM 0 H ALA A 80 10.403 6.816 4.127 1.00 61.12 H new ATOM 0 HA ALA A 80 12.804 6.746 5.572 1.00 3.20 H new ATOM 0 HB1 ALA A 80 11.300 6.303 7.504 1.00 21.05 H new ATOM 0 HB2 ALA A 80 10.667 7.595 6.456 1.00 21.05 H new ATOM 0 HB3 ALA A 80 9.969 5.960 6.374 1.00 21.05 H new ATOM 1287 N GLU A 81 11.680 3.809 4.773 1.00 53.23 N ATOM 1288 CA GLU A 81 11.978 2.371 4.795 1.00 41.35 C ATOM 1289 C GLU A 81 13.013 1.985 3.725 1.00 0.24 C ATOM 1290 O GLU A 81 13.405 0.820 3.621 1.00 62.20 O ATOM 1291 CB GLU A 81 10.689 1.564 4.603 1.00 73.51 C ATOM 1292 CG GLU A 81 9.577 1.972 5.566 1.00 35.24 C ATOM 1293 CD GLU A 81 8.460 0.946 5.673 1.00 34.21 C ATOM 1294 OE1 GLU A 81 8.210 0.211 4.697 1.00 15.21 O ATOM 1295 OE2 GLU A 81 7.842 0.859 6.755 1.00 60.14 O ATOM 0 H GLU A 81 10.968 4.079 4.094 1.00 53.23 H new ATOM 0 HA GLU A 81 12.410 2.136 5.768 1.00 41.35 H new ATOM 0 HB2 GLU A 81 10.338 1.689 3.579 1.00 73.51 H new ATOM 0 HB3 GLU A 81 10.907 0.505 4.738 1.00 73.51 H new ATOM 0 HG2 GLU A 81 10.005 2.135 6.555 1.00 35.24 H new ATOM 0 HG3 GLU A 81 9.156 2.923 5.240 1.00 35.24 H new ATOM 1302 N GLY A 82 13.454 2.968 2.940 1.00 75.22 N ATOM 1303 CA GLY A 82 14.472 2.731 1.917 1.00 75.34 C ATOM 1304 C GLY A 82 13.899 2.535 0.515 1.00 54.22 C ATOM 1305 O GLY A 82 14.608 2.101 -0.396 1.00 21.14 O ATOM 0 H GLY A 82 13.124 3.932 2.992 1.00 75.22 H new ATOM 0 HA2 GLY A 82 15.163 3.574 1.903 1.00 75.34 H new ATOM 0 HA3 GLY A 82 15.051 1.849 2.190 1.00 75.34 H new ATOM 1309 N ILE A 83 12.621 2.857 0.334 1.00 31.51 N ATOM 1310 CA ILE A 83 11.967 2.705 -0.968 1.00 65.44 C ATOM 1311 C ILE A 83 12.130 3.967 -1.833 1.00 71.10 C ATOM 1312 O ILE A 83 11.541 5.011 -1.548 1.00 41.23 O ATOM 1313 CB ILE A 83 10.461 2.381 -0.799 1.00 5.04 C ATOM 1314 CG1 ILE A 83 10.289 1.104 0.043 1.00 21.54 C ATOM 1315 CG2 ILE A 83 9.777 2.233 -2.162 1.00 31.22 C ATOM 1316 CD1 ILE A 83 8.846 0.734 0.328 1.00 72.00 C ATOM 0 H ILE A 83 12.017 3.224 1.069 1.00 31.51 H new ATOM 0 HA ILE A 83 12.455 1.873 -1.475 1.00 65.44 H new ATOM 0 HB ILE A 83 9.983 3.210 -0.277 1.00 5.04 H new ATOM 0 HG12 ILE A 83 10.769 0.274 -0.475 1.00 21.54 H new ATOM 0 HG13 ILE A 83 10.812 1.234 0.990 1.00 21.54 H new ATOM 0 HG21 ILE A 83 8.721 2.006 -2.016 1.00 31.22 H new ATOM 0 HG22 ILE A 83 9.874 3.164 -2.721 1.00 31.22 H new ATOM 0 HG23 ILE A 83 10.249 1.424 -2.720 1.00 31.22 H new ATOM 0 HD11 ILE A 83 8.815 -0.177 0.926 1.00 72.00 H new ATOM 0 HD12 ILE A 83 8.364 1.544 0.876 1.00 72.00 H new ATOM 0 HD13 ILE A 83 8.320 0.569 -0.612 1.00 72.00 H new ATOM 1328 N GLU A 84 12.936 3.862 -2.889 1.00 23.23 N ATOM 1329 CA GLU A 84 13.176 4.986 -3.802 1.00 33.42 C ATOM 1330 C GLU A 84 11.957 5.252 -4.699 1.00 33.42 C ATOM 1331 O GLU A 84 11.729 4.547 -5.688 1.00 74.03 O ATOM 1332 CB GLU A 84 14.413 4.715 -4.671 1.00 75.33 C ATOM 1333 CG GLU A 84 15.691 4.474 -3.874 1.00 2.30 C ATOM 1334 CD GLU A 84 16.903 4.243 -4.767 1.00 51.55 C ATOM 1335 OE1 GLU A 84 17.123 3.091 -5.198 1.00 20.14 O ATOM 1336 OE2 GLU A 84 17.635 5.214 -5.049 1.00 54.23 O ATOM 0 H GLU A 84 13.437 3.008 -3.136 1.00 23.23 H new ATOM 0 HA GLU A 84 13.351 5.873 -3.193 1.00 33.42 H new ATOM 0 HB2 GLU A 84 14.219 3.845 -5.299 1.00 75.33 H new ATOM 0 HB3 GLU A 84 14.568 5.563 -5.339 1.00 75.33 H new ATOM 0 HG2 GLU A 84 15.879 5.331 -3.227 1.00 2.30 H new ATOM 0 HG3 GLU A 84 15.552 3.609 -3.225 1.00 2.30 H new ATOM 1343 N VAL A 85 11.168 6.261 -4.342 1.00 32.10 N ATOM 1344 CA VAL A 85 9.979 6.635 -5.116 1.00 61.23 C ATOM 1345 C VAL A 85 10.301 7.722 -6.161 1.00 43.33 C ATOM 1346 O VAL A 85 10.916 8.743 -5.844 1.00 54.14 O ATOM 1347 CB VAL A 85 8.849 7.144 -4.183 1.00 53.33 C ATOM 1348 CG1 VAL A 85 7.601 7.527 -4.980 1.00 40.33 C ATOM 1349 CG2 VAL A 85 8.514 6.096 -3.119 1.00 43.22 C ATOM 0 H VAL A 85 11.328 6.840 -3.518 1.00 32.10 H new ATOM 0 HA VAL A 85 9.644 5.738 -5.636 1.00 61.23 H new ATOM 0 HB VAL A 85 9.210 8.041 -3.680 1.00 53.33 H new ATOM 0 HG11 VAL A 85 6.828 7.880 -4.298 1.00 40.33 H new ATOM 0 HG12 VAL A 85 7.850 8.318 -5.687 1.00 40.33 H new ATOM 0 HG13 VAL A 85 7.235 6.656 -5.524 1.00 40.33 H new ATOM 0 HG21 VAL A 85 7.719 6.473 -2.475 1.00 43.22 H new ATOM 0 HG22 VAL A 85 8.183 5.178 -3.604 1.00 43.22 H new ATOM 0 HG23 VAL A 85 9.400 5.890 -2.519 1.00 43.22 H new ATOM 1359 N SER A 86 9.881 7.494 -7.406 1.00 63.25 N ATOM 1360 CA SER A 86 10.078 8.470 -8.492 1.00 53.03 C ATOM 1361 C SER A 86 9.201 9.715 -8.298 1.00 62.15 C ATOM 1362 O SER A 86 8.137 9.646 -7.674 1.00 14.10 O ATOM 1363 CB SER A 86 9.774 7.841 -9.856 1.00 31.23 C ATOM 1364 OG SER A 86 9.849 8.806 -10.893 1.00 3.35 O ATOM 0 H SER A 86 9.400 6.641 -7.693 1.00 63.25 H new ATOM 0 HA SER A 86 11.124 8.773 -8.461 1.00 53.03 H new ATOM 0 HB2 SER A 86 10.481 7.035 -10.054 1.00 31.23 H new ATOM 0 HB3 SER A 86 8.779 7.396 -9.841 1.00 31.23 H new ATOM 0 HG SER A 86 9.653 8.378 -11.753 1.00 3.35 H new ATOM 1370 N GLU A 87 9.640 10.829 -8.898 1.00 1.41 N ATOM 1371 CA GLU A 87 9.069 12.172 -8.659 1.00 73.54 C ATOM 1372 C GLU A 87 7.525 12.212 -8.680 1.00 2.04 C ATOM 1373 O GLU A 87 6.903 12.749 -7.765 1.00 33.02 O ATOM 1374 CB GLU A 87 9.625 13.164 -9.695 1.00 1.30 C ATOM 1375 CG GLU A 87 9.288 12.808 -11.143 1.00 21.55 C ATOM 1376 CD GLU A 87 9.803 13.835 -12.137 1.00 1.24 C ATOM 1377 OE1 GLU A 87 9.329 14.992 -12.102 1.00 52.22 O ATOM 1378 OE2 GLU A 87 10.694 13.501 -12.948 1.00 71.45 O ATOM 0 H GLU A 87 10.408 10.829 -9.570 1.00 1.41 H new ATOM 0 HA GLU A 87 9.369 12.454 -7.650 1.00 73.54 H new ATOM 0 HB2 GLU A 87 9.235 14.158 -9.476 1.00 1.30 H new ATOM 0 HB3 GLU A 87 10.708 13.216 -9.588 1.00 1.30 H new ATOM 0 HG2 GLU A 87 9.714 11.833 -11.381 1.00 21.55 H new ATOM 0 HG3 GLU A 87 8.207 12.718 -11.248 1.00 21.55 H new ATOM 1385 N ILE A 88 6.912 11.643 -9.717 1.00 51.12 N ATOM 1386 CA ILE A 88 5.449 11.698 -9.880 1.00 31.22 C ATOM 1387 C ILE A 88 4.725 10.635 -9.031 1.00 74.22 C ATOM 1388 O ILE A 88 3.529 10.383 -9.205 1.00 74.42 O ATOM 1389 CB ILE A 88 5.053 11.570 -11.383 1.00 13.45 C ATOM 1390 CG1 ILE A 88 5.631 10.287 -12.027 1.00 44.25 C ATOM 1391 CG2 ILE A 88 5.511 12.807 -12.158 1.00 34.42 C ATOM 1392 CD1 ILE A 88 4.804 9.036 -11.799 1.00 51.24 C ATOM 0 H ILE A 88 7.399 11.139 -10.458 1.00 51.12 H new ATOM 0 HA ILE A 88 5.124 12.673 -9.516 1.00 31.22 H new ATOM 0 HB ILE A 88 3.966 11.498 -11.431 1.00 13.45 H new ATOM 0 HG12 ILE A 88 5.732 10.449 -13.100 1.00 44.25 H new ATOM 0 HG13 ILE A 88 6.634 10.120 -11.634 1.00 44.25 H new ATOM 0 HG21 ILE A 88 5.229 12.705 -13.206 1.00 34.42 H new ATOM 0 HG22 ILE A 88 5.037 13.695 -11.739 1.00 34.42 H new ATOM 0 HG23 ILE A 88 6.594 12.904 -12.082 1.00 34.42 H new ATOM 0 HD11 ILE A 88 5.285 8.188 -12.286 1.00 51.24 H new ATOM 0 HD12 ILE A 88 4.724 8.843 -10.729 1.00 51.24 H new ATOM 0 HD13 ILE A 88 3.808 9.177 -12.218 1.00 51.24 H new ATOM 1404 N GLY A 89 5.452 10.040 -8.090 1.00 51.03 N ATOM 1405 CA GLY A 89 4.891 8.994 -7.249 1.00 20.13 C ATOM 1406 C GLY A 89 4.889 7.628 -7.924 1.00 15.43 C ATOM 1407 O GLY A 89 3.868 6.945 -7.952 1.00 73.40 O ATOM 0 H GLY A 89 6.427 10.265 -7.893 1.00 51.03 H new ATOM 0 HA2 GLY A 89 5.462 8.935 -6.322 1.00 20.13 H new ATOM 0 HA3 GLY A 89 3.870 9.261 -6.978 1.00 20.13 H new ATOM 1411 N LYS A 90 6.033 7.222 -8.473 1.00 65.43 N ATOM 1412 CA LYS A 90 6.134 5.923 -9.168 1.00 31.43 C ATOM 1413 C LYS A 90 7.132 4.991 -8.462 1.00 33.40 C ATOM 1414 O LYS A 90 8.264 5.374 -8.182 1.00 11.23 O ATOM 1415 CB LYS A 90 6.525 6.145 -10.644 1.00 52.25 C ATOM 1416 CG LYS A 90 6.504 4.891 -11.529 1.00 43.52 C ATOM 1417 CD LYS A 90 7.793 4.069 -11.429 1.00 62.15 C ATOM 1418 CE LYS A 90 7.805 2.905 -12.416 1.00 11.32 C ATOM 1419 NZ LYS A 90 9.097 2.169 -12.387 1.00 5.54 N ATOM 0 H LYS A 90 6.899 7.761 -8.455 1.00 65.43 H new ATOM 0 HA LYS A 90 5.160 5.436 -9.137 1.00 31.43 H new ATOM 0 HB2 LYS A 90 5.848 6.883 -11.074 1.00 52.25 H new ATOM 0 HB3 LYS A 90 7.526 6.574 -10.676 1.00 52.25 H new ATOM 0 HG2 LYS A 90 5.658 4.266 -11.245 1.00 43.52 H new ATOM 0 HG3 LYS A 90 6.347 5.187 -12.566 1.00 43.52 H new ATOM 0 HD2 LYS A 90 8.651 4.714 -11.619 1.00 62.15 H new ATOM 0 HD3 LYS A 90 7.901 3.686 -10.414 1.00 62.15 H new ATOM 0 HE2 LYS A 90 6.991 2.220 -12.180 1.00 11.32 H new ATOM 0 HE3 LYS A 90 7.623 3.281 -13.423 1.00 11.32 H new ATOM 0 HZ1 LYS A 90 9.066 1.386 -13.071 1.00 5.54 H new ATOM 0 HZ2 LYS A 90 9.871 2.817 -12.637 1.00 5.54 H new ATOM 0 HZ3 LYS A 90 9.259 1.789 -11.433 1.00 5.54 H new ATOM 1433 N ILE A 91 6.697 3.763 -8.190 1.00 60.42 N ATOM 1434 CA ILE A 91 7.516 2.783 -7.467 1.00 55.44 C ATOM 1435 C ILE A 91 7.843 1.564 -8.347 1.00 34.11 C ATOM 1436 O ILE A 91 7.058 1.182 -9.216 1.00 25.12 O ATOM 1437 CB ILE A 91 6.785 2.304 -6.185 1.00 43.23 C ATOM 1438 CG1 ILE A 91 6.393 3.507 -5.311 1.00 53.21 C ATOM 1439 CG2 ILE A 91 7.651 1.323 -5.393 1.00 72.20 C ATOM 1440 CD1 ILE A 91 5.582 3.134 -4.090 1.00 20.32 C ATOM 0 H ILE A 91 5.776 3.418 -8.460 1.00 60.42 H new ATOM 0 HA ILE A 91 8.448 3.278 -7.195 1.00 55.44 H new ATOM 0 HB ILE A 91 5.877 1.782 -6.487 1.00 43.23 H new ATOM 0 HG12 ILE A 91 7.299 4.023 -4.991 1.00 53.21 H new ATOM 0 HG13 ILE A 91 5.821 4.212 -5.914 1.00 53.21 H new ATOM 0 HG21 ILE A 91 7.115 1.003 -4.500 1.00 72.20 H new ATOM 0 HG22 ILE A 91 7.875 0.454 -6.012 1.00 72.20 H new ATOM 0 HG23 ILE A 91 8.581 1.811 -5.102 1.00 72.20 H new ATOM 0 HD11 ILE A 91 5.343 4.034 -3.523 1.00 20.32 H new ATOM 0 HD12 ILE A 91 4.659 2.646 -4.402 1.00 20.32 H new ATOM 0 HD13 ILE A 91 6.159 2.453 -3.464 1.00 20.32 H new ATOM 1452 N ALA A 92 9.012 0.965 -8.127 1.00 21.31 N ATOM 1453 CA ALA A 92 9.412 -0.244 -8.855 1.00 50.01 C ATOM 1454 C ALA A 92 8.763 -1.506 -8.261 1.00 61.30 C ATOM 1455 O ALA A 92 9.233 -2.047 -7.258 1.00 53.35 O ATOM 1456 CB ALA A 92 10.931 -0.377 -8.853 1.00 11.30 C ATOM 0 H ALA A 92 9.701 1.295 -7.451 1.00 21.31 H new ATOM 0 HA ALA A 92 9.061 -0.147 -9.882 1.00 50.01 H new ATOM 0 HB1 ALA A 92 11.218 -1.278 -9.396 1.00 11.30 H new ATOM 0 HB2 ALA A 92 11.373 0.494 -9.336 1.00 11.30 H new ATOM 0 HB3 ALA A 92 11.289 -0.443 -7.826 1.00 11.30 H new ATOM 1462 N LEU A 93 7.686 -1.983 -8.895 1.00 74.15 N ATOM 1463 CA LEU A 93 6.953 -3.169 -8.414 1.00 64.32 C ATOM 1464 C LEU A 93 7.745 -4.474 -8.577 1.00 53.42 C ATOM 1465 O LEU A 93 7.249 -5.543 -8.234 1.00 64.43 O ATOM 1466 CB LEU A 93 5.597 -3.308 -9.124 1.00 62.20 C ATOM 1467 CG LEU A 93 4.502 -2.337 -8.664 1.00 51.24 C ATOM 1468 CD1 LEU A 93 3.177 -2.659 -9.353 1.00 72.23 C ATOM 1469 CD2 LEU A 93 4.343 -2.376 -7.143 1.00 52.51 C ATOM 0 H LEU A 93 7.299 -1.569 -9.743 1.00 74.15 H new ATOM 0 HA LEU A 93 6.797 -3.006 -7.348 1.00 64.32 H new ATOM 0 HB2 LEU A 93 5.752 -3.171 -10.194 1.00 62.20 H new ATOM 0 HB3 LEU A 93 5.236 -4.327 -8.982 1.00 62.20 H new ATOM 0 HG LEU A 93 4.801 -1.328 -8.947 1.00 51.24 H new ATOM 0 HD11 LEU A 93 2.412 -1.960 -9.015 1.00 72.23 H new ATOM 0 HD12 LEU A 93 3.297 -2.571 -10.433 1.00 72.23 H new ATOM 0 HD13 LEU A 93 2.875 -3.676 -9.104 1.00 72.23 H new ATOM 0 HD21 LEU A 93 3.561 -1.679 -6.841 1.00 52.51 H new ATOM 0 HD22 LEU A 93 4.071 -3.384 -6.831 1.00 52.51 H new ATOM 0 HD23 LEU A 93 5.284 -2.092 -6.671 1.00 52.51 H new ATOM 1481 N ARG A 94 8.947 -4.395 -9.139 1.00 30.22 N ATOM 1482 CA ARG A 94 9.838 -5.560 -9.219 1.00 45.13 C ATOM 1483 C ARG A 94 10.879 -5.543 -8.085 1.00 24.13 C ATOM 1484 O ARG A 94 11.024 -6.513 -7.341 1.00 14.03 O ATOM 1485 CB ARG A 94 10.539 -5.605 -10.583 1.00 33.44 C ATOM 1486 CG ARG A 94 9.582 -5.792 -11.760 1.00 3.05 C ATOM 1487 CD ARG A 94 10.325 -5.885 -13.090 1.00 1.34 C ATOM 1488 NE ARG A 94 11.259 -7.010 -13.123 1.00 31.53 N ATOM 1489 CZ ARG A 94 12.402 -6.991 -13.754 1.00 42.14 C ATOM 1490 NH1 ARG A 94 12.790 -5.928 -14.382 1.00 74.15 N ATOM 1491 NH2 ARG A 94 13.162 -8.039 -13.751 1.00 20.04 N ATOM 0 H ARG A 94 9.331 -3.542 -9.546 1.00 30.22 H new ATOM 0 HA ARG A 94 9.229 -6.457 -9.106 1.00 45.13 H new ATOM 0 HB2 ARG A 94 11.099 -4.680 -10.725 1.00 33.44 H new ATOM 0 HB3 ARG A 94 11.264 -6.419 -10.582 1.00 33.44 H new ATOM 0 HG2 ARG A 94 8.994 -6.697 -11.609 1.00 3.05 H new ATOM 0 HG3 ARG A 94 8.881 -4.958 -11.794 1.00 3.05 H new ATOM 0 HD2 ARG A 94 9.604 -5.990 -13.901 1.00 1.34 H new ATOM 0 HD3 ARG A 94 10.870 -4.957 -13.266 1.00 1.34 H new ATOM 0 HE ARG A 94 11.002 -7.861 -12.623 1.00 31.53 H new ATOM 0 HH11 ARG A 94 12.201 -5.095 -14.387 1.00 74.15 H new ATOM 0 HH12 ARG A 94 13.685 -5.923 -14.872 1.00 74.15 H new ATOM 0 HH21 ARG A 94 12.868 -8.881 -13.255 1.00 20.04 H new ATOM 0 HH22 ARG A 94 14.055 -8.023 -14.244 1.00 20.04 H new ATOM 1505 N LYS A 95 11.591 -4.424 -7.956 1.00 23.14 N ATOM 1506 CA LYS A 95 12.663 -4.285 -6.962 1.00 5.24 C ATOM 1507 C LYS A 95 12.116 -4.242 -5.521 1.00 13.32 C ATOM 1508 O LYS A 95 12.784 -4.672 -4.578 1.00 51.23 O ATOM 1509 CB LYS A 95 13.472 -3.011 -7.254 1.00 0.43 C ATOM 1510 CG LYS A 95 14.761 -2.890 -6.448 1.00 31.33 C ATOM 1511 CD LYS A 95 15.517 -1.605 -6.787 1.00 53.32 C ATOM 1512 CE LYS A 95 16.894 -1.560 -6.134 1.00 20.02 C ATOM 1513 NZ LYS A 95 16.819 -1.596 -4.650 1.00 64.32 N ATOM 0 H LYS A 95 11.446 -3.594 -8.530 1.00 23.14 H new ATOM 0 HA LYS A 95 13.306 -5.162 -7.040 1.00 5.24 H new ATOM 0 HB2 LYS A 95 13.717 -2.985 -8.316 1.00 0.43 H new ATOM 0 HB3 LYS A 95 12.846 -2.142 -7.050 1.00 0.43 H new ATOM 0 HG2 LYS A 95 14.528 -2.906 -5.383 1.00 31.33 H new ATOM 0 HG3 LYS A 95 15.398 -3.751 -6.648 1.00 31.33 H new ATOM 0 HD2 LYS A 95 15.626 -1.524 -7.868 1.00 53.32 H new ATOM 0 HD3 LYS A 95 14.933 -0.745 -6.460 1.00 53.32 H new ATOM 0 HE2 LYS A 95 17.488 -2.404 -6.486 1.00 20.02 H new ATOM 0 HE3 LYS A 95 17.412 -0.653 -6.447 1.00 20.02 H new ATOM 0 HZ1 LYS A 95 17.776 -1.512 -4.252 1.00 64.32 H new ATOM 0 HZ2 LYS A 95 16.233 -0.806 -4.313 1.00 64.32 H new ATOM 0 HZ3 LYS A 95 16.395 -2.496 -4.346 1.00 64.32 H new ATOM 1527 N TYR A 96 10.895 -3.731 -5.356 1.00 44.51 N ATOM 1528 CA TYR A 96 10.294 -3.570 -4.022 1.00 23.13 C ATOM 1529 C TYR A 96 9.074 -4.476 -3.835 1.00 30.42 C ATOM 1530 O TYR A 96 8.310 -4.307 -2.885 1.00 51.23 O ATOM 1531 CB TYR A 96 9.881 -2.111 -3.802 1.00 3.31 C ATOM 1532 CG TYR A 96 11.029 -1.131 -3.897 1.00 35.25 C ATOM 1533 CD1 TYR A 96 11.921 -0.976 -2.842 1.00 43.20 C ATOM 1534 CD2 TYR A 96 11.221 -0.363 -5.040 1.00 22.02 C ATOM 1535 CE1 TYR A 96 12.968 -0.082 -2.925 1.00 10.53 C ATOM 1536 CE2 TYR A 96 12.267 0.531 -5.129 1.00 62.12 C ATOM 1537 CZ TYR A 96 13.137 0.668 -4.070 1.00 54.43 C ATOM 1538 OH TYR A 96 14.178 1.561 -4.153 1.00 60.22 O ATOM 0 H TYR A 96 10.300 -3.421 -6.125 1.00 44.51 H new ATOM 0 HA TYR A 96 11.047 -3.857 -3.289 1.00 23.13 H new ATOM 0 HB2 TYR A 96 9.124 -1.842 -4.539 1.00 3.31 H new ATOM 0 HB3 TYR A 96 9.417 -2.019 -2.820 1.00 3.31 H new ATOM 0 HD1 TYR A 96 11.792 -1.564 -1.945 1.00 43.20 H new ATOM 0 HD2 TYR A 96 10.540 -0.468 -5.872 1.00 22.02 H new ATOM 0 HE1 TYR A 96 13.652 0.030 -2.097 1.00 10.53 H new ATOM 0 HE2 TYR A 96 12.403 1.120 -6.024 1.00 62.12 H new ATOM 0 HH TYR A 96 14.460 1.648 -5.087 1.00 60.22 H new ATOM 1548 N LYS A 97 8.898 -5.442 -4.728 1.00 40.13 N ATOM 1549 CA LYS A 97 7.727 -6.310 -4.696 1.00 31.01 C ATOM 1550 C LYS A 97 7.642 -7.105 -3.387 1.00 24.54 C ATOM 1551 O LYS A 97 8.630 -7.707 -2.949 1.00 51.14 O ATOM 1552 CB LYS A 97 7.768 -7.273 -5.882 1.00 3.25 C ATOM 1553 CG LYS A 97 6.454 -8.004 -6.107 1.00 73.21 C ATOM 1554 CD LYS A 97 6.501 -8.869 -7.357 1.00 60.00 C ATOM 1555 CE LYS A 97 5.200 -9.639 -7.555 1.00 64.52 C ATOM 1556 NZ LYS A 97 5.226 -10.483 -8.780 1.00 51.30 N ATOM 0 H LYS A 97 9.552 -5.644 -5.484 1.00 40.13 H new ATOM 0 HA LYS A 97 6.841 -5.678 -4.759 1.00 31.01 H new ATOM 0 HB2 LYS A 97 8.026 -6.718 -6.784 1.00 3.25 H new ATOM 0 HB3 LYS A 97 8.560 -8.004 -5.720 1.00 3.25 H new ATOM 0 HG2 LYS A 97 6.231 -8.627 -5.241 1.00 73.21 H new ATOM 0 HG3 LYS A 97 5.645 -7.279 -6.196 1.00 73.21 H new ATOM 0 HD2 LYS A 97 6.689 -8.241 -8.228 1.00 60.00 H new ATOM 0 HD3 LYS A 97 7.332 -9.570 -7.284 1.00 60.00 H new ATOM 0 HE2 LYS A 97 5.018 -10.270 -6.685 1.00 64.52 H new ATOM 0 HE3 LYS A 97 4.370 -8.936 -7.618 1.00 64.52 H new ATOM 0 HZ1 LYS A 97 4.321 -10.987 -8.873 1.00 51.30 H new ATOM 0 HZ2 LYS A 97 5.374 -9.880 -9.614 1.00 51.30 H new ATOM 0 HZ3 LYS A 97 6.001 -11.173 -8.710 1.00 51.30 H new ATOM 1570 N TRP A 98 6.466 -7.097 -2.759 1.00 64.10 N ATOM 1571 CA TRP A 98 6.247 -7.871 -1.538 1.00 61.12 C ATOM 1572 C TRP A 98 6.502 -9.368 -1.777 1.00 13.23 C ATOM 1573 O TRP A 98 5.708 -10.067 -2.416 1.00 4.50 O ATOM 1574 CB TRP A 98 4.830 -7.652 -0.982 1.00 43.32 C ATOM 1575 CG TRP A 98 4.534 -8.485 0.236 1.00 34.23 C ATOM 1576 CD1 TRP A 98 5.432 -8.909 1.175 1.00 71.52 C ATOM 1577 CD2 TRP A 98 3.258 -8.990 0.650 1.00 44.32 C ATOM 1578 NE1 TRP A 98 4.800 -9.655 2.133 1.00 22.32 N ATOM 1579 CE2 TRP A 98 3.466 -9.717 1.837 1.00 74.50 C ATOM 1580 CE3 TRP A 98 1.960 -8.901 0.135 1.00 21.03 C ATOM 1581 CZ2 TRP A 98 2.431 -10.349 2.514 1.00 71.40 C ATOM 1582 CZ3 TRP A 98 0.931 -9.531 0.813 1.00 51.40 C ATOM 1583 CH2 TRP A 98 1.174 -10.248 1.992 1.00 73.55 C ATOM 0 H TRP A 98 5.654 -6.566 -3.074 1.00 64.10 H new ATOM 0 HA TRP A 98 6.962 -7.515 -0.796 1.00 61.12 H new ATOM 0 HB2 TRP A 98 4.704 -6.598 -0.733 1.00 43.32 H new ATOM 0 HB3 TRP A 98 4.102 -7.885 -1.759 1.00 43.32 H new ATOM 0 HD1 TRP A 98 6.489 -8.687 1.163 1.00 71.52 H new ATOM 0 HE1 TRP A 98 5.250 -10.093 2.936 1.00 22.32 H new ATOM 0 HE3 TRP A 98 1.765 -8.351 -0.774 1.00 21.03 H new ATOM 0 HZ2 TRP A 98 2.615 -10.902 3.423 1.00 71.40 H new ATOM 0 HZ3 TRP A 98 -0.076 -9.469 0.427 1.00 51.40 H new ATOM 0 HH2 TRP A 98 0.350 -10.730 2.498 1.00 73.55 H new ATOM 1594 N GLN A 99 7.633 -9.840 -1.268 1.00 61.51 N ATOM 1595 CA GLN A 99 8.007 -11.249 -1.355 1.00 35.20 C ATOM 1596 C GLN A 99 8.019 -11.895 0.038 1.00 44.02 C ATOM 1597 O GLN A 99 9.009 -11.805 0.766 1.00 54.13 O ATOM 1598 CB GLN A 99 9.383 -11.375 -2.023 1.00 45.11 C ATOM 1599 CG GLN A 99 9.386 -10.962 -3.494 1.00 51.30 C ATOM 1600 CD GLN A 99 10.781 -10.701 -4.032 1.00 23.00 C ATOM 1601 OE1 GLN A 99 11.464 -11.605 -4.498 1.00 73.42 O ATOM 1602 NE2 GLN A 99 11.208 -9.452 -3.989 1.00 1.02 N ATOM 0 H GLN A 99 8.317 -9.259 -0.784 1.00 61.51 H new ATOM 0 HA GLN A 99 7.269 -11.775 -1.960 1.00 35.20 H new ATOM 0 HB2 GLN A 99 10.100 -10.759 -1.479 1.00 45.11 H new ATOM 0 HB3 GLN A 99 9.724 -12.407 -1.943 1.00 45.11 H new ATOM 0 HG2 GLN A 99 8.914 -11.746 -4.087 1.00 51.30 H new ATOM 0 HG3 GLN A 99 8.781 -10.063 -3.615 1.00 51.30 H new ATOM 0 HE21 GLN A 99 10.614 -8.723 -3.594 1.00 1.02 H new ATOM 0 HE22 GLN A 99 12.132 -9.216 -4.351 1.00 1.02 H new ATOM 1611 N PRO A 100 6.910 -12.551 0.436 1.00 54.31 N ATOM 1612 CA PRO A 100 6.815 -13.227 1.744 1.00 23.24 C ATOM 1613 C PRO A 100 7.654 -14.515 1.804 1.00 43.23 C ATOM 1614 O PRO A 100 7.647 -15.230 2.808 1.00 53.12 O ATOM 1615 CB PRO A 100 5.318 -13.548 1.862 1.00 1.33 C ATOM 1616 CG PRO A 100 4.852 -13.673 0.449 1.00 33.52 C ATOM 1617 CD PRO A 100 5.656 -12.674 -0.341 1.00 71.10 C ATOM 0 HA PRO A 100 7.199 -12.608 2.555 1.00 23.24 H new ATOM 0 HB2 PRO A 100 5.152 -14.471 2.418 1.00 1.33 H new ATOM 0 HB3 PRO A 100 4.783 -12.758 2.388 1.00 1.33 H new ATOM 0 HG2 PRO A 100 5.009 -14.684 0.074 1.00 33.52 H new ATOM 0 HG3 PRO A 100 3.785 -13.466 0.370 1.00 33.52 H new ATOM 0 HD2 PRO A 100 5.845 -13.023 -1.356 1.00 71.10 H new ATOM 0 HD3 PRO A 100 5.139 -11.718 -0.424 1.00 71.10 H new ATOM 1625 N LEU A 101 8.359 -14.811 0.714 1.00 34.44 N ATOM 1626 CA LEU A 101 9.216 -15.997 0.630 1.00 42.33 C ATOM 1627 C LEU A 101 10.693 -15.638 0.884 1.00 0.21 C ATOM 1628 O LEU A 101 11.416 -16.374 1.559 1.00 4.42 O ATOM 1629 CB LEU A 101 9.076 -16.642 -0.758 1.00 72.34 C ATOM 1630 CG LEU A 101 7.631 -16.883 -1.232 1.00 5.24 C ATOM 1631 CD1 LEU A 101 7.613 -17.541 -2.610 1.00 62.33 C ATOM 1632 CD2 LEU A 101 6.858 -17.727 -0.222 1.00 45.44 C ATOM 0 H LEU A 101 8.354 -14.241 -0.132 1.00 34.44 H new ATOM 0 HA LEU A 101 8.897 -16.700 1.399 1.00 42.33 H new ATOM 0 HB2 LEU A 101 9.578 -16.007 -1.487 1.00 72.34 H new ATOM 0 HB3 LEU A 101 9.602 -17.597 -0.751 1.00 72.34 H new ATOM 0 HG LEU A 101 7.139 -15.914 -1.311 1.00 5.24 H new ATOM 0 HD11 LEU A 101 6.581 -17.701 -2.923 1.00 62.33 H new ATOM 0 HD12 LEU A 101 8.114 -16.893 -3.329 1.00 62.33 H new ATOM 0 HD13 LEU A 101 8.131 -18.499 -2.562 1.00 62.33 H new ATOM 0 HD21 LEU A 101 5.841 -17.883 -0.581 1.00 45.44 H new ATOM 0 HD22 LEU A 101 7.351 -18.691 -0.100 1.00 45.44 H new ATOM 0 HD23 LEU A 101 6.829 -17.211 0.738 1.00 45.44 H new ATOM 1644 N GLU A 102 11.120 -14.497 0.337 1.00 5.14 N ATOM 1645 CA GLU A 102 12.523 -14.055 0.413 1.00 33.35 C ATOM 1646 C GLU A 102 12.759 -13.098 1.604 1.00 10.21 C ATOM 1647 O GLU A 102 12.466 -11.883 1.473 1.00 39.46 O ATOM 1648 CB GLU A 102 12.915 -13.368 -0.909 1.00 63.41 C ATOM 1649 CG GLU A 102 12.736 -14.246 -2.149 1.00 64.44 C ATOM 1650 CD GLU A 102 13.711 -15.415 -2.200 1.00 64.13 C ATOM 1651 OE1 GLU A 102 14.816 -15.250 -2.766 1.00 52.31 O ATOM 1652 OE2 GLU A 102 13.381 -16.505 -1.681 1.00 23.01 O ATOM 0 H GLU A 102 10.511 -13.854 -0.169 1.00 5.14 H new ATOM 0 HA GLU A 102 13.149 -14.933 0.573 1.00 33.35 H new ATOM 0 HB2 GLU A 102 12.316 -12.465 -1.028 1.00 63.41 H new ATOM 0 HB3 GLU A 102 13.957 -13.054 -0.847 1.00 63.41 H new ATOM 0 HG2 GLU A 102 11.716 -14.630 -2.170 1.00 64.44 H new ATOM 0 HG3 GLU A 102 12.865 -13.634 -3.042 1.00 64.44 H new TER 1659 GLU A 102