USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 171:sc= 0 (180deg=-0.0772) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0.741 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -176:sc= 1.82 (180deg=0.857) USER MOD Single : A 23 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.38) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.24) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0283) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -169:sc=-0.00303 (180deg=-0.316) USER MOD Single : A 54 HIS : no HD1:sc=-0.00771 X(o=-0.0077,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.439 K(o=0.44,f=-0.52) USER MOD Single : A 64 GLN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.158 F(o=-1.1,f=-0.16) USER MOD Single : A 69 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.055) USER MOD Single : A 71 GLN : amide:sc= 0.063 K(o=0.063,f=-3.3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.77 K(o=-0.77,f=-2.6!) USER MOD Single : A 76 CYS SG : rot 180:sc=-0.00505 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.298 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00655 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -174:sc= 0 (180deg=-0.026) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.1) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 13.037 5.209 12.329 1.00 0.00 N ATOM 2 CA GLN A 23 13.409 4.928 10.939 1.00 0.00 C ATOM 3 C GLN A 23 12.293 4.178 10.180 1.00 0.00 C ATOM 4 O GLN A 23 11.458 3.499 10.786 1.00 0.00 O ATOM 5 CB GLN A 23 14.737 4.146 10.883 1.00 0.00 C ATOM 6 CG GLN A 23 15.961 4.941 11.378 1.00 0.00 C ATOM 7 CD GLN A 23 16.044 5.091 12.900 1.00 0.00 C ATOM 8 OE1 GLN A 23 15.996 4.129 13.660 1.00 0.00 O ATOM 9 NE2 GLN A 23 16.208 6.295 13.415 1.00 0.00 N ATOM 0 HA GLN A 23 13.547 5.886 10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.638 3.242 11.483 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.915 3.829 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.867 4.449 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.941 5.933 10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.251 7.110 12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.292 6.411 14.425 1.00 0.00 H new ATOM 18 N ILE A 24 12.283 4.303 8.847 1.00 0.00 N ATOM 19 CA ILE A 24 11.250 3.780 7.940 1.00 0.00 C ATOM 20 C ILE A 24 11.833 3.087 6.701 1.00 0.00 C ATOM 21 O ILE A 24 13.005 3.246 6.358 1.00 0.00 O ATOM 22 CB ILE A 24 10.284 4.908 7.509 1.00 0.00 C ATOM 23 CG1 ILE A 24 11.004 6.192 7.014 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.264 5.210 8.613 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.064 7.316 6.550 1.00 0.00 C ATOM 0 H ILE A 24 13.026 4.792 8.348 1.00 0.00 H new ATOM 0 HA ILE A 24 10.703 3.023 8.501 1.00 0.00 H new ATOM 0 HB ILE A 24 9.744 4.532 6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.634 6.572 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.666 5.926 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.597 6.007 8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.681 4.314 8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.787 5.525 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.654 8.172 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.451 6.959 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.419 7.615 7.376 1.00 0.00 H new ATOM 37 N ASN A 25 10.974 2.346 5.992 1.00 0.00 N ATOM 38 CA ASN A 25 11.321 1.464 4.869 1.00 0.00 C ATOM 39 C ASN A 25 11.469 2.192 3.513 1.00 0.00 C ATOM 40 O ASN A 25 11.081 1.679 2.466 1.00 0.00 O ATOM 41 CB ASN A 25 10.291 0.320 4.823 1.00 0.00 C ATOM 42 CG ASN A 25 10.040 -0.334 6.175 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.949 -0.269 6.725 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.037 -0.934 6.786 1.00 0.00 N ATOM 0 H ASN A 25 9.974 2.344 6.193 1.00 0.00 H new ATOM 0 HA ASN A 25 12.318 1.060 5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.348 0.707 4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.636 -0.439 4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.898 -1.341 7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.950 -0.993 6.335 1.00 0.00 H new ATOM 51 N GLN A 26 12.009 3.408 3.558 1.00 0.00 N ATOM 52 CA GLN A 26 12.035 4.422 2.491 1.00 0.00 C ATOM 53 C GLN A 26 13.447 4.865 2.086 1.00 0.00 C ATOM 54 O GLN A 26 14.460 4.374 2.592 1.00 0.00 O ATOM 55 CB GLN A 26 11.157 5.623 2.917 1.00 0.00 C ATOM 56 CG GLN A 26 9.829 5.247 3.603 1.00 0.00 C ATOM 57 CD GLN A 26 9.010 4.201 2.849 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.092 4.061 1.640 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.239 3.388 3.542 1.00 0.00 N ATOM 0 H GLN A 26 12.476 3.741 4.401 1.00 0.00 H new ATOM 0 HA GLN A 26 11.625 3.962 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.733 6.253 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.936 6.223 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.043 4.872 4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.227 6.148 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.163 3.496 4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.718 2.651 3.067 1.00 0.00 H new ATOM 68 N VAL A 27 13.486 5.802 1.138 1.00 0.00 N ATOM 69 CA VAL A 27 14.691 6.326 0.475 1.00 0.00 C ATOM 70 C VAL A 27 15.162 7.585 1.219 1.00 0.00 C ATOM 71 O VAL A 27 14.540 7.999 2.196 1.00 0.00 O ATOM 72 CB VAL A 27 14.405 6.615 -1.025 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.657 6.859 -1.884 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.617 5.471 -1.689 1.00 0.00 C ATOM 0 H VAL A 27 12.634 6.243 0.790 1.00 0.00 H new ATOM 0 HA VAL A 27 15.488 5.583 0.510 1.00 0.00 H new ATOM 0 HB VAL A 27 13.823 7.536 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.359 7.052 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.202 7.720 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.299 5.978 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.438 5.713 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.192 4.547 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.663 5.342 -1.178 1.00 0.00 H new ATOM 84 N ARG A 28 16.337 8.094 0.836 1.00 0.00 N ATOM 85 CA ARG A 28 16.969 9.390 1.179 1.00 0.00 C ATOM 86 C ARG A 28 18.086 9.656 0.132 1.00 0.00 C ATOM 87 O ARG A 28 18.779 8.704 -0.232 1.00 0.00 O ATOM 88 CB ARG A 28 17.551 9.367 2.613 1.00 0.00 C ATOM 89 CG ARG A 28 18.210 10.714 2.978 1.00 0.00 C ATOM 90 CD ARG A 28 18.604 10.861 4.450 1.00 0.00 C ATOM 91 NE ARG A 28 19.619 9.868 4.863 1.00 0.00 N ATOM 92 CZ ARG A 28 20.935 9.967 4.766 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.523 11.004 4.236 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.698 9.008 5.205 1.00 0.00 N ATOM 0 H ARG A 28 16.940 7.558 0.212 1.00 0.00 H new ATOM 0 HA ARG A 28 16.227 10.188 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.757 9.145 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.287 8.567 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.101 10.844 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.523 11.520 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.991 11.865 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.717 10.751 5.074 1.00 0.00 H new ATOM 0 HE ARG A 28 19.262 9.004 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.965 11.779 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.541 11.040 4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.282 8.177 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.712 9.088 5.129 1.00 0.00 H new ATOM 108 N PRO A 29 18.272 10.894 -0.374 1.00 0.00 N ATOM 109 CA PRO A 29 19.183 11.186 -1.486 1.00 0.00 C ATOM 110 C PRO A 29 20.545 11.754 -1.047 1.00 0.00 C ATOM 111 O PRO A 29 20.727 12.186 0.094 1.00 0.00 O ATOM 112 CB PRO A 29 18.415 12.213 -2.322 1.00 0.00 C ATOM 113 CG PRO A 29 17.694 13.040 -1.261 1.00 0.00 C ATOM 114 CD PRO A 29 17.455 12.069 -0.106 1.00 0.00 C ATOM 0 HA PRO A 29 19.441 10.274 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.085 12.825 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.715 11.735 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.298 13.890 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.755 13.440 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.731 12.524 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.401 11.800 -0.038 1.00 0.00 H new ATOM 122 N LYS A 30 21.485 11.805 -2.000 1.00 0.00 N ATOM 123 CA LYS A 30 22.771 12.521 -1.884 1.00 0.00 C ATOM 124 C LYS A 30 22.607 13.989 -2.302 1.00 0.00 C ATOM 125 O LYS A 30 21.640 14.330 -2.981 1.00 0.00 O ATOM 126 CB LYS A 30 23.880 11.762 -2.644 1.00 0.00 C ATOM 127 CG LYS A 30 23.654 11.674 -4.164 1.00 0.00 C ATOM 128 CD LYS A 30 24.719 10.834 -4.890 1.00 0.00 C ATOM 129 CE LYS A 30 26.128 11.445 -4.807 1.00 0.00 C ATOM 130 NZ LYS A 30 27.124 10.626 -5.554 1.00 0.00 N ATOM 0 H LYS A 30 21.373 11.338 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 30 23.092 12.546 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.835 12.253 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.957 10.753 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.671 11.244 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.648 12.681 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.738 9.832 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.437 10.727 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.111 12.457 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.430 11.524 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.063 11.066 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.157 9.668 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 26.848 10.572 -6.555 1.00 0.00 H new ATOM 144 N LEU A 31 23.552 14.857 -1.937 1.00 0.00 N ATOM 145 CA LEU A 31 23.444 16.325 -2.070 1.00 0.00 C ATOM 146 C LEU A 31 22.987 16.850 -3.455 1.00 0.00 C ATOM 147 O LEU A 31 22.049 17.648 -3.480 1.00 0.00 O ATOM 148 CB LEU A 31 24.766 16.987 -1.618 1.00 0.00 C ATOM 149 CG LEU A 31 25.166 16.744 -0.147 1.00 0.00 C ATOM 150 CD1 LEU A 31 26.494 17.443 0.144 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.125 17.265 0.847 1.00 0.00 C ATOM 0 H LEU A 31 24.439 14.559 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 31 22.627 16.617 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.570 16.625 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.687 18.062 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 31 25.246 15.664 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.776 17.271 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 27.267 17.044 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.388 18.514 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.462 17.066 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.998 18.339 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.174 16.762 0.675 1.00 0.00 H new ATOM 163 N PRO A 32 23.540 16.414 -4.609 1.00 0.00 N ATOM 164 CA PRO A 32 23.073 16.886 -5.921 1.00 0.00 C ATOM 165 C PRO A 32 21.658 16.412 -6.284 1.00 0.00 C ATOM 166 O PRO A 32 20.940 17.130 -6.975 1.00 0.00 O ATOM 167 CB PRO A 32 24.120 16.400 -6.930 1.00 0.00 C ATOM 168 CG PRO A 32 24.753 15.189 -6.249 1.00 0.00 C ATOM 169 CD PRO A 32 24.734 15.591 -4.776 1.00 0.00 C ATOM 0 HA PRO A 32 22.982 17.972 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.662 16.129 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.860 17.172 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.182 14.278 -6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.766 15.006 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.698 14.713 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.633 16.146 -4.510 1.00 0.00 H new ATOM 177 N LEU A 33 21.217 15.253 -5.782 1.00 0.00 N ATOM 178 CA LEU A 33 19.852 14.739 -5.998 1.00 0.00 C ATOM 179 C LEU A 33 18.841 15.430 -5.065 1.00 0.00 C ATOM 180 O LEU A 33 17.744 15.792 -5.490 1.00 0.00 O ATOM 181 CB LEU A 33 19.839 13.204 -5.841 1.00 0.00 C ATOM 182 CG LEU A 33 20.260 12.428 -7.106 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.705 12.673 -7.542 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.093 10.928 -6.866 1.00 0.00 C ATOM 0 H LEU A 33 21.797 14.639 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 33 19.541 14.974 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.505 12.929 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.836 12.889 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 33 19.612 12.794 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.919 12.090 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.846 13.732 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.382 12.371 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.391 10.381 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.719 10.622 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.050 10.710 -6.638 1.00 0.00 H new ATOM 196 N LEU A 34 19.246 15.708 -3.820 1.00 0.00 N ATOM 197 CA LEU A 34 18.500 16.534 -2.859 1.00 0.00 C ATOM 198 C LEU A 34 18.281 17.954 -3.401 1.00 0.00 C ATOM 199 O LEU A 34 17.204 18.505 -3.200 1.00 0.00 O ATOM 200 CB LEU A 34 19.291 16.520 -1.527 1.00 0.00 C ATOM 201 CG LEU A 34 18.579 17.097 -0.279 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.066 16.388 0.986 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.902 18.581 -0.108 1.00 0.00 C ATOM 0 H LEU A 34 20.125 15.356 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 34 17.501 16.130 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.571 15.489 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.216 17.077 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 34 17.508 16.951 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.557 16.804 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.847 15.323 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.141 16.531 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.391 18.965 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.978 18.708 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.568 19.130 -0.988 1.00 0.00 H new ATOM 215 N LYS A 35 19.237 18.514 -4.158 1.00 0.00 N ATOM 216 CA LYS A 35 19.156 19.860 -4.755 1.00 0.00 C ATOM 217 C LYS A 35 17.962 20.030 -5.699 1.00 0.00 C ATOM 218 O LYS A 35 17.271 21.046 -5.658 1.00 0.00 O ATOM 219 CB LYS A 35 20.476 20.156 -5.504 1.00 0.00 C ATOM 220 CG LYS A 35 20.913 21.615 -5.325 1.00 0.00 C ATOM 221 CD LYS A 35 21.539 21.861 -3.940 1.00 0.00 C ATOM 222 CE LYS A 35 22.990 21.359 -3.868 1.00 0.00 C ATOM 223 NZ LYS A 35 23.641 21.752 -2.586 1.00 0.00 N ATOM 0 H LYS A 35 20.109 18.034 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 35 19.006 20.572 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.260 19.493 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.349 19.941 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.633 21.876 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.052 22.271 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.512 22.927 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.943 21.359 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.006 20.274 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.558 21.764 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.619 21.398 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.647 22.789 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.112 21.344 -1.789 1.00 0.00 H new ATOM 237 N ILE A 36 17.692 19.001 -6.503 1.00 0.00 N ATOM 238 CA ILE A 36 16.613 18.966 -7.506 1.00 0.00 C ATOM 239 C ILE A 36 15.256 19.046 -6.803 1.00 0.00 C ATOM 240 O ILE A 36 14.421 19.890 -7.115 1.00 0.00 O ATOM 241 CB ILE A 36 16.715 17.672 -8.351 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.113 17.540 -8.989 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.638 17.619 -9.451 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.387 16.149 -9.563 1.00 0.00 C ATOM 0 H ILE A 36 18.234 18.137 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 36 16.713 19.821 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 36 16.550 16.836 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.214 18.280 -9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.870 17.772 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.745 16.696 -10.020 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.649 17.651 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.757 18.473 -10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.387 16.125 -9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.318 15.407 -8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.651 15.923 -10.335 1.00 0.00 H new ATOM 256 N LEU A 37 15.054 18.185 -5.805 1.00 0.00 N ATOM 257 CA LEU A 37 13.840 18.162 -4.992 1.00 0.00 C ATOM 258 C LEU A 37 13.728 19.374 -4.041 1.00 0.00 C ATOM 259 O LEU A 37 12.627 19.861 -3.812 1.00 0.00 O ATOM 260 CB LEU A 37 13.627 16.722 -4.468 1.00 0.00 C ATOM 261 CG LEU A 37 13.054 15.853 -5.621 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.397 14.374 -5.501 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.531 15.964 -5.686 1.00 0.00 C ATOM 0 H LEU A 37 15.737 17.477 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 37 12.936 18.352 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.570 16.305 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.941 16.726 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 37 13.521 16.246 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.964 13.831 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.480 14.250 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.993 13.981 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.156 15.346 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.101 15.623 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.249 17.003 -5.858 1.00 0.00 H new ATOM 275 N HIS A 38 14.828 19.955 -3.552 1.00 0.00 N ATOM 276 CA HIS A 38 14.805 21.251 -2.841 1.00 0.00 C ATOM 277 C HIS A 38 14.328 22.395 -3.749 1.00 0.00 C ATOM 278 O HIS A 38 13.532 23.224 -3.307 1.00 0.00 O ATOM 279 CB HIS A 38 16.189 21.576 -2.250 1.00 0.00 C ATOM 280 CG HIS A 38 16.340 21.236 -0.786 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.105 21.971 0.125 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.711 20.222 -0.119 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.918 21.388 1.321 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.086 20.338 1.205 1.00 0.00 N ATOM 0 H HIS A 38 15.759 19.547 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 38 14.089 21.157 -2.025 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.948 21.035 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.387 22.639 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.052 19.479 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.372 21.716 2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.783 19.730 1.966 1.00 0.00 H new ATOM 292 N ALA A 39 14.709 22.401 -5.034 1.00 0.00 N ATOM 293 CA ALA A 39 14.136 23.318 -6.029 1.00 0.00 C ATOM 294 C ALA A 39 12.630 23.060 -6.284 1.00 0.00 C ATOM 295 O ALA A 39 11.923 23.951 -6.759 1.00 0.00 O ATOM 296 CB ALA A 39 14.958 23.248 -7.324 1.00 0.00 C ATOM 0 H ALA A 39 15.419 21.774 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 39 14.193 24.330 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.533 23.928 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.989 23.536 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.937 22.230 -7.714 1.00 0.00 H new ATOM 302 N ALA A 40 12.123 21.876 -5.913 1.00 0.00 N ATOM 303 CA ALA A 40 10.701 21.530 -5.883 1.00 0.00 C ATOM 304 C ALA A 40 9.994 21.854 -4.545 1.00 0.00 C ATOM 305 O ALA A 40 8.837 21.470 -4.359 1.00 0.00 O ATOM 306 CB ALA A 40 10.542 20.043 -6.230 1.00 0.00 C ATOM 0 H ALA A 40 12.719 21.104 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 40 10.208 22.158 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.485 19.776 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.945 19.857 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.083 19.439 -5.501 1.00 0.00 H new ATOM 312 N GLY A 41 10.678 22.497 -3.589 1.00 0.00 N ATOM 313 CA GLY A 41 10.157 22.793 -2.246 1.00 0.00 C ATOM 314 C GLY A 41 10.096 21.586 -1.293 1.00 0.00 C ATOM 315 O GLY A 41 9.410 21.651 -0.270 1.00 0.00 O ATOM 0 H GLY A 41 11.630 22.834 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.780 23.564 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.155 23.210 -2.345 1.00 0.00 H new ATOM 319 N ALA A 42 10.773 20.482 -1.627 1.00 0.00 N ATOM 320 CA ALA A 42 10.767 19.226 -0.880 1.00 0.00 C ATOM 321 C ALA A 42 11.876 19.167 0.200 1.00 0.00 C ATOM 322 O ALA A 42 12.522 20.165 0.523 1.00 0.00 O ATOM 323 CB ALA A 42 10.983 18.107 -1.907 1.00 0.00 C ATOM 0 H ALA A 42 11.362 20.441 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 42 9.821 19.125 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.987 17.143 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.178 18.127 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.938 18.255 -2.411 1.00 0.00 H new ATOM 329 N GLN A 43 12.151 17.950 0.690 1.00 0.00 N ATOM 330 CA GLN A 43 13.301 17.592 1.544 1.00 0.00 C ATOM 331 C GLN A 43 14.113 16.438 0.918 1.00 0.00 C ATOM 332 O GLN A 43 14.497 15.473 1.576 1.00 0.00 O ATOM 333 CB GLN A 43 12.843 17.316 2.988 1.00 0.00 C ATOM 334 CG GLN A 43 12.173 18.529 3.653 1.00 0.00 C ATOM 335 CD GLN A 43 11.847 18.261 5.121 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.567 18.656 6.031 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.759 17.577 5.419 1.00 0.00 N ATOM 0 H GLN A 43 11.552 17.148 0.495 1.00 0.00 H new ATOM 0 HA GLN A 43 13.983 18.440 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.145 16.479 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.704 17.013 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.832 19.394 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.257 18.778 3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.148 17.241 4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.529 17.385 6.394 1.00 0.00 H new ATOM 346 N GLY A 44 14.343 16.507 -0.396 1.00 0.00 N ATOM 347 CA GLY A 44 15.027 15.474 -1.164 1.00 0.00 C ATOM 348 C GLY A 44 14.114 14.293 -1.497 1.00 0.00 C ATOM 349 O GLY A 44 13.178 14.428 -2.269 1.00 0.00 O ATOM 0 H GLY A 44 14.051 17.302 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.409 15.906 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.888 15.116 -0.600 1.00 0.00 H new ATOM 353 N GLU A 45 14.421 13.128 -0.932 1.00 0.00 N ATOM 354 CA GLU A 45 13.770 11.828 -1.188 1.00 0.00 C ATOM 355 C GLU A 45 13.644 11.000 0.100 1.00 0.00 C ATOM 356 O GLU A 45 13.523 9.783 0.040 1.00 0.00 O ATOM 357 CB GLU A 45 14.512 11.023 -2.281 1.00 0.00 C ATOM 358 CG GLU A 45 14.504 11.678 -3.662 1.00 0.00 C ATOM 359 CD GLU A 45 15.109 10.734 -4.721 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.416 9.781 -5.151 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.279 10.942 -5.125 1.00 0.00 O ATOM 0 H GLU A 45 15.171 13.052 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 45 12.766 12.042 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.546 10.876 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.059 10.035 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.482 11.937 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.071 12.608 -3.631 1.00 0.00 H new ATOM 368 N MET A 46 13.736 11.640 1.274 1.00 0.00 N ATOM 369 CA MET A 46 13.735 10.997 2.609 1.00 0.00 C ATOM 370 C MET A 46 12.373 10.415 3.059 1.00 0.00 C ATOM 371 O MET A 46 11.961 10.531 4.216 1.00 0.00 O ATOM 372 CB MET A 46 14.388 11.911 3.640 1.00 0.00 C ATOM 373 CG MET A 46 13.627 13.214 3.885 1.00 0.00 C ATOM 374 SD MET A 46 14.425 14.370 5.035 1.00 0.00 S ATOM 375 CE MET A 46 14.209 13.483 6.604 1.00 0.00 C ATOM 0 H MET A 46 13.816 12.655 1.330 1.00 0.00 H new ATOM 0 HA MET A 46 14.349 10.101 2.519 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.478 11.372 4.583 1.00 0.00 H new ATOM 0 HB3 MET A 46 15.399 12.149 3.311 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.484 13.718 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.636 12.971 4.268 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.568 14.104 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.153 13.259 6.753 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.777 12.553 6.577 1.00 0.00 H new ATOM 385 N PHE A 47 11.654 9.822 2.109 1.00 0.00 N ATOM 386 CA PHE A 47 10.242 9.421 2.204 1.00 0.00 C ATOM 387 C PHE A 47 9.782 8.463 1.075 1.00 0.00 C ATOM 388 O PHE A 47 10.539 8.132 0.161 1.00 0.00 O ATOM 389 CB PHE A 47 9.398 10.714 2.242 1.00 0.00 C ATOM 390 CG PHE A 47 9.894 11.839 1.346 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.805 11.723 -0.052 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.510 12.974 1.910 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.262 12.767 -0.875 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.012 13.993 1.083 1.00 0.00 C ATOM 395 CZ PHE A 47 10.856 13.903 -0.306 1.00 0.00 C ATOM 0 H PHE A 47 12.058 9.593 1.201 1.00 0.00 H new ATOM 0 HA PHE A 47 10.104 8.838 3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.375 10.469 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.365 11.077 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.385 10.831 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.597 13.061 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.156 12.694 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.517 14.843 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.194 14.710 -0.940 1.00 0.00 H new ATOM 405 N THR A 48 8.536 7.983 1.177 1.00 0.00 N ATOM 406 CA THR A 48 7.891 6.949 0.331 1.00 0.00 C ATOM 407 C THR A 48 7.632 7.409 -1.117 1.00 0.00 C ATOM 408 O THR A 48 7.661 8.602 -1.433 1.00 0.00 O ATOM 409 CB THR A 48 6.552 6.513 0.989 1.00 0.00 C ATOM 410 OG1 THR A 48 6.662 6.568 2.400 1.00 0.00 O ATOM 411 CG2 THR A 48 6.044 5.106 0.649 1.00 0.00 C ATOM 0 H THR A 48 7.902 8.325 1.899 1.00 0.00 H new ATOM 0 HA THR A 48 8.587 6.112 0.268 1.00 0.00 H new ATOM 0 HB THR A 48 5.833 7.220 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.813 6.293 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.104 4.923 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.885 5.027 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.782 4.367 0.962 1.00 0.00 H new ATOM 419 N VAL A 49 7.283 6.454 -1.994 1.00 0.00 N ATOM 420 CA VAL A 49 7.009 6.647 -3.442 1.00 0.00 C ATOM 421 C VAL A 49 5.967 7.746 -3.683 1.00 0.00 C ATOM 422 O VAL A 49 6.151 8.630 -4.520 1.00 0.00 O ATOM 423 CB VAL A 49 6.541 5.328 -4.105 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.247 5.491 -5.600 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.577 4.215 -3.937 1.00 0.00 C ATOM 0 H VAL A 49 7.177 5.480 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 49 7.948 6.959 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 49 5.618 5.058 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.923 4.536 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.459 6.232 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.149 5.822 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.214 3.305 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.516 4.519 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.740 4.027 -2.876 1.00 0.00 H new ATOM 435 N LYS A 50 4.898 7.738 -2.882 1.00 0.00 N ATOM 436 CA LYS A 50 3.806 8.718 -2.986 1.00 0.00 C ATOM 437 C LYS A 50 4.227 10.150 -2.647 1.00 0.00 C ATOM 438 O LYS A 50 3.696 11.094 -3.226 1.00 0.00 O ATOM 439 CB LYS A 50 2.584 8.249 -2.173 1.00 0.00 C ATOM 440 CG LYS A 50 2.872 8.088 -0.669 1.00 0.00 C ATOM 441 CD LYS A 50 1.636 7.613 0.104 1.00 0.00 C ATOM 442 CE LYS A 50 2.013 7.373 1.573 1.00 0.00 C ATOM 443 NZ LYS A 50 0.830 6.982 2.388 1.00 0.00 N ATOM 0 H LYS A 50 4.762 7.051 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 50 3.519 8.763 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.773 8.965 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.236 7.296 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.684 7.374 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.211 9.040 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.844 8.359 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.248 6.695 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.770 6.591 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.457 8.278 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.123 6.828 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.118 7.739 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.421 6.105 2.008 1.00 0.00 H new ATOM 457 N GLU A 51 5.212 10.312 -1.764 1.00 0.00 N ATOM 458 CA GLU A 51 5.767 11.620 -1.415 1.00 0.00 C ATOM 459 C GLU A 51 6.777 12.090 -2.473 1.00 0.00 C ATOM 460 O GLU A 51 6.637 13.207 -2.966 1.00 0.00 O ATOM 461 CB GLU A 51 6.382 11.578 -0.007 1.00 0.00 C ATOM 462 CG GLU A 51 5.382 11.258 1.113 1.00 0.00 C ATOM 463 CD GLU A 51 4.262 12.312 1.223 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.481 13.372 1.858 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.148 12.081 0.694 1.00 0.00 O ATOM 0 H GLU A 51 5.650 9.536 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 51 4.960 12.352 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.176 10.831 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.847 12.542 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.939 10.279 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.913 11.196 2.063 1.00 0.00 H new ATOM 472 N VAL A 52 7.724 11.245 -2.919 1.00 0.00 N ATOM 473 CA VAL A 52 8.657 11.637 -4.010 1.00 0.00 C ATOM 474 C VAL A 52 7.933 12.065 -5.278 1.00 0.00 C ATOM 475 O VAL A 52 8.261 13.093 -5.864 1.00 0.00 O ATOM 476 CB VAL A 52 9.687 10.560 -4.380 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.749 10.341 -3.302 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.108 9.189 -4.669 1.00 0.00 C ATOM 0 H VAL A 52 7.869 10.303 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 52 9.194 12.486 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 52 10.118 10.977 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.444 9.567 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.293 11.270 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.268 10.029 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.914 8.499 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.579 8.824 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.414 9.256 -5.507 1.00 0.00 H new ATOM 488 N MET A 53 6.920 11.305 -5.678 1.00 0.00 N ATOM 489 CA MET A 53 6.156 11.604 -6.900 1.00 0.00 C ATOM 490 C MET A 53 5.253 12.844 -6.755 1.00 0.00 C ATOM 491 O MET A 53 5.021 13.541 -7.740 1.00 0.00 O ATOM 492 CB MET A 53 5.397 10.367 -7.403 1.00 0.00 C ATOM 493 CG MET A 53 4.095 10.088 -6.646 1.00 0.00 C ATOM 494 SD MET A 53 3.246 8.562 -7.135 1.00 0.00 S ATOM 495 CE MET A 53 2.778 8.989 -8.836 1.00 0.00 C ATOM 0 H MET A 53 6.603 10.474 -5.178 1.00 0.00 H new ATOM 0 HA MET A 53 6.881 11.867 -7.671 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.170 10.497 -8.461 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.047 9.496 -7.322 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.314 10.040 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.417 10.928 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.081 8.244 -9.220 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.303 9.970 -8.847 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.669 9.010 -9.464 1.00 0.00 H new ATOM 505 N HIS A 54 4.803 13.168 -5.536 1.00 0.00 N ATOM 506 CA HIS A 54 4.115 14.425 -5.208 1.00 0.00 C ATOM 507 C HIS A 54 5.038 15.628 -5.477 1.00 0.00 C ATOM 508 O HIS A 54 4.740 16.462 -6.338 1.00 0.00 O ATOM 509 CB HIS A 54 3.615 14.358 -3.748 1.00 0.00 C ATOM 510 CG HIS A 54 3.608 15.680 -3.025 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.867 16.806 -3.389 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.454 16.011 -2.006 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.292 17.792 -2.580 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.233 17.340 -1.733 1.00 0.00 N ATOM 0 H HIS A 54 4.909 12.550 -4.732 1.00 0.00 H new ATOM 0 HA HIS A 54 3.244 14.562 -5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.604 13.951 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.243 13.660 -3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.158 15.358 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.927 18.808 -2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.702 17.889 -1.012 1.00 0.00 H new ATOM 522 N TYR A 55 6.202 15.667 -4.818 1.00 0.00 N ATOM 523 CA TYR A 55 7.240 16.672 -5.046 1.00 0.00 C ATOM 524 C TYR A 55 7.712 16.737 -6.510 1.00 0.00 C ATOM 525 O TYR A 55 7.905 17.833 -7.033 1.00 0.00 O ATOM 526 CB TYR A 55 8.424 16.399 -4.114 1.00 0.00 C ATOM 527 CG TYR A 55 8.116 16.490 -2.630 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.708 17.710 -2.060 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.289 15.365 -1.806 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.444 17.801 -0.680 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.017 15.444 -0.425 1.00 0.00 C ATOM 532 CZ TYR A 55 7.594 16.665 0.143 1.00 0.00 C ATOM 533 OH TYR A 55 7.350 16.764 1.480 1.00 0.00 O ATOM 0 H TYR A 55 6.451 14.988 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 55 6.802 17.646 -4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.811 15.403 -4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.220 17.107 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.597 18.583 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.632 14.434 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.127 18.740 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.132 14.570 0.199 1.00 0.00 H new ATOM 0 HH TYR A 55 7.498 15.893 1.905 1.00 0.00 H new ATOM 543 N LEU A 56 7.855 15.605 -7.210 1.00 0.00 N ATOM 544 CA LEU A 56 8.274 15.604 -8.618 1.00 0.00 C ATOM 545 C LEU A 56 7.172 16.115 -9.567 1.00 0.00 C ATOM 546 O LEU A 56 7.484 16.828 -10.517 1.00 0.00 O ATOM 547 CB LEU A 56 8.792 14.209 -9.024 1.00 0.00 C ATOM 548 CG LEU A 56 9.914 14.270 -10.080 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.242 14.719 -9.456 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.137 12.886 -10.686 1.00 0.00 C ATOM 0 H LEU A 56 7.686 14.676 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 56 9.096 16.312 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.161 13.692 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.963 13.619 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 56 9.603 14.986 -10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.013 14.752 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.122 15.711 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.536 14.014 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.931 12.939 -11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.422 12.186 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.217 12.544 -11.160 1.00 0.00 H new ATOM 562 N GLY A 57 5.893 15.839 -9.289 1.00 0.00 N ATOM 563 CA GLY A 57 4.764 16.393 -10.047 1.00 0.00 C ATOM 564 C GLY A 57 4.712 17.923 -9.974 1.00 0.00 C ATOM 565 O GLY A 57 4.693 18.598 -11.008 1.00 0.00 O ATOM 0 H GLY A 57 5.610 15.222 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.842 16.083 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.832 15.981 -9.660 1.00 0.00 H new ATOM 569 N GLN A 58 4.842 18.495 -8.768 1.00 0.00 N ATOM 570 CA GLN A 58 4.948 19.952 -8.609 1.00 0.00 C ATOM 571 C GLN A 58 6.261 20.511 -9.188 1.00 0.00 C ATOM 572 O GLN A 58 6.249 21.612 -9.737 1.00 0.00 O ATOM 573 CB GLN A 58 4.642 20.404 -7.167 1.00 0.00 C ATOM 574 CG GLN A 58 5.697 20.017 -6.122 1.00 0.00 C ATOM 575 CD GLN A 58 5.299 20.342 -4.678 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.137 20.510 -4.328 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.248 20.415 -3.766 1.00 0.00 N ATOM 0 H GLN A 58 4.876 17.973 -7.892 1.00 0.00 H new ATOM 0 HA GLN A 58 4.164 20.404 -9.217 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.528 21.488 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.684 19.980 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.895 18.948 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.629 20.532 -6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.223 20.279 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.007 20.608 -2.794 1.00 0.00 H new ATOM 586 N TYR A 59 7.370 19.754 -9.166 1.00 0.00 N ATOM 587 CA TYR A 59 8.600 20.148 -9.869 1.00 0.00 C ATOM 588 C TYR A 59 8.359 20.333 -11.366 1.00 0.00 C ATOM 589 O TYR A 59 8.609 21.419 -11.880 1.00 0.00 O ATOM 590 CB TYR A 59 9.744 19.145 -9.651 1.00 0.00 C ATOM 591 CG TYR A 59 11.116 19.681 -10.030 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.579 20.874 -9.443 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.944 18.984 -10.935 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.884 21.326 -9.688 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.255 19.442 -11.191 1.00 0.00 C ATOM 596 CZ TYR A 59 13.741 20.589 -10.528 1.00 0.00 C ATOM 597 OH TYR A 59 15.029 20.995 -10.704 1.00 0.00 O ATOM 0 H TYR A 59 7.439 18.866 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 59 8.899 21.104 -9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.758 18.848 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.542 18.247 -10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.925 21.445 -8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.575 18.099 -11.432 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.232 22.241 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.885 18.915 -11.893 1.00 0.00 H new ATOM 0 HH TYR A 59 15.486 20.377 -11.312 1.00 0.00 H new ATOM 607 N ILE A 60 7.794 19.330 -12.050 1.00 0.00 N ATOM 608 CA ILE A 60 7.446 19.414 -13.480 1.00 0.00 C ATOM 609 C ILE A 60 6.515 20.610 -13.724 1.00 0.00 C ATOM 610 O ILE A 60 6.721 21.368 -14.671 1.00 0.00 O ATOM 611 CB ILE A 60 6.779 18.103 -13.960 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.689 16.866 -13.795 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.363 18.202 -15.441 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.869 15.582 -13.620 1.00 0.00 C ATOM 0 H ILE A 60 7.563 18.431 -11.627 1.00 0.00 H new ATOM 0 HA ILE A 60 8.362 19.557 -14.053 1.00 0.00 H new ATOM 0 HB ILE A 60 5.903 17.974 -13.325 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.335 16.770 -14.668 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.339 17.004 -12.931 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.897 17.267 -15.751 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.653 19.020 -15.566 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.244 18.389 -16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.543 14.733 -13.507 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.242 15.669 -12.733 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.238 15.431 -14.496 1.00 0.00 H new ATOM 626 N MET A 61 5.532 20.827 -12.843 1.00 0.00 N ATOM 627 CA MET A 61 4.577 21.932 -12.951 1.00 0.00 C ATOM 628 C MET A 61 5.229 23.326 -12.823 1.00 0.00 C ATOM 629 O MET A 61 4.828 24.249 -13.533 1.00 0.00 O ATOM 630 CB MET A 61 3.472 21.723 -11.902 1.00 0.00 C ATOM 631 CG MET A 61 2.185 22.484 -12.231 1.00 0.00 C ATOM 632 SD MET A 61 1.345 21.914 -13.738 1.00 0.00 S ATOM 633 CE MET A 61 1.440 23.423 -14.735 1.00 0.00 C ATOM 0 H MET A 61 5.377 20.234 -12.028 1.00 0.00 H new ATOM 0 HA MET A 61 4.151 21.917 -13.954 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.249 20.659 -11.824 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.839 22.044 -10.927 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.498 22.394 -11.390 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.420 23.543 -12.338 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.968 23.250 -15.702 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.925 24.233 -14.219 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.485 23.695 -14.885 1.00 0.00 H new ATOM 643 N VAL A 62 6.256 23.493 -11.974 1.00 0.00 N ATOM 644 CA VAL A 62 7.012 24.755 -11.827 1.00 0.00 C ATOM 645 C VAL A 62 8.017 24.933 -12.970 1.00 0.00 C ATOM 646 O VAL A 62 8.032 25.976 -13.629 1.00 0.00 O ATOM 647 CB VAL A 62 7.681 24.830 -10.445 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.658 26.005 -10.299 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.630 24.971 -9.335 1.00 0.00 C ATOM 0 H VAL A 62 6.591 22.749 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 62 6.311 25.587 -11.892 1.00 0.00 H new ATOM 0 HB VAL A 62 8.238 23.898 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.092 25.995 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.452 25.912 -11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.125 26.943 -10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.128 25.022 -8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.052 25.882 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.962 24.110 -9.355 1.00 0.00 H new ATOM 659 N LYS A 63 8.814 23.890 -13.254 1.00 0.00 N ATOM 660 CA LYS A 63 9.803 23.868 -14.347 1.00 0.00 C ATOM 661 C LYS A 63 9.159 23.907 -15.738 1.00 0.00 C ATOM 662 O LYS A 63 9.842 24.226 -16.709 1.00 0.00 O ATOM 663 CB LYS A 63 10.704 22.616 -14.200 1.00 0.00 C ATOM 664 CG LYS A 63 12.201 22.947 -14.170 1.00 0.00 C ATOM 665 CD LYS A 63 12.587 23.571 -12.819 1.00 0.00 C ATOM 666 CE LYS A 63 14.052 24.040 -12.785 1.00 0.00 C ATOM 667 NZ LYS A 63 15.037 22.924 -12.873 1.00 0.00 N ATOM 0 H LYS A 63 8.789 23.021 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 63 10.404 24.774 -14.263 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.437 22.090 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.506 21.935 -15.028 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.783 22.041 -14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.443 23.637 -14.978 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.933 24.418 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.424 22.842 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.223 24.731 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.226 24.595 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.001 23.303 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.856 22.240 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.942 22.449 -13.793 1.00 0.00 H new ATOM 681 N GLN A 64 7.851 23.627 -15.816 1.00 0.00 N ATOM 682 CA GLN A 64 6.981 23.654 -17.000 1.00 0.00 C ATOM 683 C GLN A 64 7.589 22.964 -18.233 1.00 0.00 C ATOM 684 O GLN A 64 7.469 23.424 -19.371 1.00 0.00 O ATOM 685 CB GLN A 64 6.358 25.048 -17.200 1.00 0.00 C ATOM 686 CG GLN A 64 7.350 26.187 -17.470 1.00 0.00 C ATOM 687 CD GLN A 64 6.758 27.539 -17.082 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.261 28.300 -17.904 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.781 27.881 -15.807 1.00 0.00 N ATOM 0 H GLN A 64 7.331 23.353 -14.983 1.00 0.00 H new ATOM 0 HA GLN A 64 6.123 23.008 -16.815 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.657 24.996 -18.033 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.779 25.298 -16.311 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.268 26.014 -16.908 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.620 26.195 -18.526 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.193 27.252 -15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.387 28.774 -15.511 1.00 0.00 H new ATOM 698 N LEU A 65 8.263 21.835 -17.978 1.00 0.00 N ATOM 699 CA LEU A 65 8.995 21.039 -18.964 1.00 0.00 C ATOM 700 C LEU A 65 8.047 20.062 -19.682 1.00 0.00 C ATOM 701 O LEU A 65 8.217 18.850 -19.610 1.00 0.00 O ATOM 702 CB LEU A 65 10.182 20.322 -18.275 1.00 0.00 C ATOM 703 CG LEU A 65 11.347 21.234 -17.850 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.328 20.473 -16.956 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.121 21.798 -19.043 1.00 0.00 C ATOM 0 H LEU A 65 8.313 21.438 -17.040 1.00 0.00 H new ATOM 0 HA LEU A 65 9.407 21.692 -19.733 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.808 19.803 -17.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.568 19.560 -18.953 1.00 0.00 H new ATOM 0 HG LEU A 65 10.897 22.065 -17.307 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.144 21.134 -16.666 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.810 20.123 -16.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.729 19.619 -17.501 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.930 22.434 -18.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.536 20.977 -19.628 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.449 22.385 -19.668 1.00 0.00 H new ATOM 717 N TYR A 66 7.005 20.574 -20.331 1.00 0.00 N ATOM 718 CA TYR A 66 5.970 19.799 -21.025 1.00 0.00 C ATOM 719 C TYR A 66 5.607 20.407 -22.389 1.00 0.00 C ATOM 720 O TYR A 66 5.988 21.538 -22.706 1.00 0.00 O ATOM 721 CB TYR A 66 4.743 19.638 -20.108 1.00 0.00 C ATOM 722 CG TYR A 66 4.224 20.908 -19.448 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.730 21.977 -20.224 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.231 21.017 -18.042 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.281 23.160 -19.605 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.754 22.185 -17.418 1.00 0.00 C ATOM 727 CZ TYR A 66 3.287 23.265 -18.198 1.00 0.00 C ATOM 728 OH TYR A 66 2.847 24.400 -17.588 1.00 0.00 O ATOM 0 H TYR A 66 6.848 21.580 -20.393 1.00 0.00 H new ATOM 0 HA TYR A 66 6.366 18.807 -21.244 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.934 19.201 -20.693 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.993 18.923 -19.325 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.696 21.888 -21.300 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.604 20.201 -17.441 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.932 23.986 -20.207 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.745 22.255 -16.340 1.00 0.00 H new ATOM 0 HH TYR A 66 2.158 24.823 -18.142 1.00 0.00 H new ATOM 738 N ASP A 67 4.864 19.664 -23.214 1.00 0.00 N ATOM 739 CA ASP A 67 4.385 20.164 -24.508 1.00 0.00 C ATOM 740 C ASP A 67 3.294 21.242 -24.336 1.00 0.00 C ATOM 741 O ASP A 67 2.340 21.076 -23.573 1.00 0.00 O ATOM 742 CB ASP A 67 3.881 19.006 -25.382 1.00 0.00 C ATOM 743 CG ASP A 67 3.808 19.386 -26.873 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.197 20.430 -27.202 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.380 18.653 -27.715 1.00 0.00 O ATOM 0 H ASP A 67 4.579 18.707 -23.007 1.00 0.00 H new ATOM 0 HA ASP A 67 5.228 20.635 -25.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.542 18.148 -25.260 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.893 18.699 -25.039 1.00 0.00 H new ATOM 750 N GLN A 68 3.407 22.329 -25.103 1.00 0.00 N ATOM 751 CA GLN A 68 2.403 23.393 -25.244 1.00 0.00 C ATOM 752 C GLN A 68 0.974 22.872 -25.519 1.00 0.00 C ATOM 753 O GLN A 68 0.002 23.414 -24.986 1.00 0.00 O ATOM 754 CB GLN A 68 2.796 24.322 -26.411 1.00 0.00 C ATOM 755 CG GLN A 68 4.275 24.742 -26.463 1.00 0.00 C ATOM 756 CD GLN A 68 5.150 23.953 -27.453 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.916 22.682 -27.737 1.00 0.00 O flip ATOM 758 NE2 GLN A 68 6.117 24.479 -27.988 1.00 0.00 N flip ATOM 0 H GLN A 68 4.238 22.502 -25.669 1.00 0.00 H new ATOM 0 HA GLN A 68 2.388 23.916 -24.288 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.546 23.823 -27.348 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.184 25.222 -26.356 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.326 25.800 -26.722 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.700 24.637 -25.465 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.335 25.457 -27.798 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.704 23.939 -28.624 1.00 0.00 H new ATOM 767 N GLN A 69 0.846 21.826 -26.347 1.00 0.00 N ATOM 768 CA GLN A 69 -0.431 21.212 -26.738 1.00 0.00 C ATOM 769 C GLN A 69 -0.873 20.072 -25.803 1.00 0.00 C ATOM 770 O GLN A 69 -2.045 19.687 -25.825 1.00 0.00 O ATOM 771 CB GLN A 69 -0.352 20.735 -28.202 1.00 0.00 C ATOM 772 CG GLN A 69 -0.598 21.844 -29.242 1.00 0.00 C ATOM 773 CD GLN A 69 0.504 22.902 -29.324 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.588 22.675 -29.847 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.276 24.107 -28.837 1.00 0.00 N ATOM 0 H GLN A 69 1.652 21.370 -26.776 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.199 21.980 -26.646 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.632 20.299 -28.378 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.084 19.941 -28.354 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.714 21.383 -30.223 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.541 22.339 -29.009 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.620 24.318 -28.397 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.995 24.827 -28.900 1.00 0.00 H new ATOM 784 N GLU A 70 0.027 19.535 -24.973 1.00 0.00 N ATOM 785 CA GLU A 70 -0.285 18.460 -24.021 1.00 0.00 C ATOM 786 C GLU A 70 0.637 18.481 -22.791 1.00 0.00 C ATOM 787 O GLU A 70 1.706 17.868 -22.749 1.00 0.00 O ATOM 788 CB GLU A 70 -0.328 17.072 -24.694 1.00 0.00 C ATOM 789 CG GLU A 70 0.696 16.822 -25.814 1.00 0.00 C ATOM 790 CD GLU A 70 0.446 15.469 -26.513 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.595 15.317 -27.202 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.301 14.555 -26.422 1.00 0.00 O ATOM 0 H GLU A 70 1.001 19.836 -24.942 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.293 18.658 -23.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.183 16.314 -23.924 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.327 16.922 -25.105 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.641 17.627 -26.546 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.703 16.838 -25.398 1.00 0.00 H new ATOM 799 N GLN A 71 0.144 19.134 -21.735 1.00 0.00 N ATOM 800 CA GLN A 71 0.764 19.204 -20.409 1.00 0.00 C ATOM 801 C GLN A 71 0.992 17.813 -19.784 1.00 0.00 C ATOM 802 O GLN A 71 1.817 17.672 -18.880 1.00 0.00 O ATOM 803 CB GLN A 71 -0.123 20.056 -19.480 1.00 0.00 C ATOM 804 CG GLN A 71 -0.139 21.562 -19.816 1.00 0.00 C ATOM 805 CD GLN A 71 -0.843 21.949 -21.123 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.733 21.271 -21.626 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.476 23.059 -21.729 1.00 0.00 N ATOM 0 H GLN A 71 -0.735 19.650 -21.783 1.00 0.00 H new ATOM 0 HA GLN A 71 1.746 19.662 -20.528 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.144 19.676 -19.524 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.221 19.929 -18.453 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.621 22.093 -18.995 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.891 21.915 -19.862 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.262 23.638 -21.329 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.930 23.339 -22.598 1.00 0.00 H new ATOM 816 N HIS A 72 0.296 16.778 -20.280 1.00 0.00 N ATOM 817 CA HIS A 72 0.456 15.391 -19.836 1.00 0.00 C ATOM 818 C HIS A 72 1.766 14.729 -20.319 1.00 0.00 C ATOM 819 O HIS A 72 2.148 13.681 -19.788 1.00 0.00 O ATOM 820 CB HIS A 72 -0.809 14.574 -20.187 1.00 0.00 C ATOM 821 CG HIS A 72 -0.737 13.741 -21.450 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.008 14.056 -22.596 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.307 12.512 -21.628 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.112 13.004 -23.418 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.907 12.068 -22.871 1.00 0.00 N ATOM 0 H HIS A 72 -0.405 16.887 -21.013 1.00 0.00 H new ATOM 0 HA HIS A 72 0.558 15.404 -18.751 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.031 13.911 -19.351 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.648 15.264 -20.279 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.946 11.990 -20.931 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.372 12.920 -24.380 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.169 11.181 -23.302 1.00 0.00 H new ATOM 833 N MET A 73 2.453 15.336 -21.301 1.00 0.00 N ATOM 834 CA MET A 73 3.678 14.829 -21.924 1.00 0.00 C ATOM 835 C MET A 73 4.876 15.705 -21.536 1.00 0.00 C ATOM 836 O MET A 73 4.904 16.901 -21.834 1.00 0.00 O ATOM 837 CB MET A 73 3.509 14.762 -23.451 1.00 0.00 C ATOM 838 CG MET A 73 4.759 14.198 -24.137 1.00 0.00 C ATOM 839 SD MET A 73 5.218 12.522 -23.614 1.00 0.00 S ATOM 840 CE MET A 73 6.861 12.405 -24.362 1.00 0.00 C ATOM 0 H MET A 73 2.155 16.228 -21.695 1.00 0.00 H new ATOM 0 HA MET A 73 3.869 13.819 -21.560 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.648 14.139 -23.695 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.301 15.759 -23.838 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.596 14.196 -25.215 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.597 14.867 -23.943 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.358 11.501 -24.009 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.765 12.366 -25.447 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.452 13.277 -24.081 1.00 0.00 H new ATOM 850 N VAL A 74 5.875 15.109 -20.885 1.00 0.00 N ATOM 851 CA VAL A 74 7.042 15.791 -20.304 1.00 0.00 C ATOM 852 C VAL A 74 8.236 15.731 -21.267 1.00 0.00 C ATOM 853 O VAL A 74 8.553 14.677 -21.820 1.00 0.00 O ATOM 854 CB VAL A 74 7.400 15.192 -18.922 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.431 16.043 -18.173 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.169 15.076 -18.008 1.00 0.00 C ATOM 0 H VAL A 74 5.899 14.100 -20.740 1.00 0.00 H new ATOM 0 HA VAL A 74 6.788 16.840 -20.151 1.00 0.00 H new ATOM 0 HB VAL A 74 7.809 14.205 -19.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.651 15.584 -17.209 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.346 16.107 -18.762 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.030 17.044 -18.015 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.466 14.651 -17.049 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.739 16.065 -17.849 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.427 14.429 -18.477 1.00 0.00 H new ATOM 866 N TYR A 75 8.912 16.868 -21.431 1.00 0.00 N ATOM 867 CA TYR A 75 10.091 17.102 -22.267 1.00 0.00 C ATOM 868 C TYR A 75 11.120 17.931 -21.489 1.00 0.00 C ATOM 869 O TYR A 75 11.065 19.160 -21.425 1.00 0.00 O ATOM 870 CB TYR A 75 9.677 17.827 -23.551 1.00 0.00 C ATOM 871 CG TYR A 75 9.005 16.916 -24.552 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.743 15.845 -25.086 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.665 17.115 -24.937 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.144 14.960 -25.994 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.071 16.246 -25.873 1.00 0.00 C ATOM 876 CZ TYR A 75 7.808 15.166 -26.407 1.00 0.00 C ATOM 877 OH TYR A 75 7.227 14.336 -27.318 1.00 0.00 O ATOM 0 H TYR A 75 8.627 17.718 -20.944 1.00 0.00 H new ATOM 0 HA TYR A 75 10.543 16.147 -22.535 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.000 18.643 -23.299 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.559 18.274 -24.010 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.774 15.704 -24.796 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.095 17.930 -24.516 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.704 14.120 -26.378 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.049 16.406 -26.183 1.00 0.00 H new ATOM 0 HH TYR A 75 6.306 14.626 -27.484 1.00 0.00 H new ATOM 887 N CYS A 76 12.066 17.223 -20.884 1.00 0.00 N ATOM 888 CA CYS A 76 13.038 17.732 -19.919 1.00 0.00 C ATOM 889 C CYS A 76 14.232 18.472 -20.541 1.00 0.00 C ATOM 890 O CYS A 76 14.887 19.246 -19.845 1.00 0.00 O ATOM 891 CB CYS A 76 13.555 16.519 -19.148 1.00 0.00 C ATOM 892 SG CYS A 76 12.228 15.764 -18.166 1.00 0.00 S ATOM 0 H CYS A 76 12.184 16.225 -21.061 1.00 0.00 H new ATOM 0 HA CYS A 76 12.535 18.470 -19.293 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.960 15.785 -19.845 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.372 16.821 -18.492 1.00 0.00 H new ATOM 0 HG CYS A 76 12.695 14.735 -17.524 1.00 0.00 H new ATOM 898 N GLY A 77 14.565 18.190 -21.808 1.00 0.00 N ATOM 899 CA GLY A 77 15.603 18.894 -22.578 1.00 0.00 C ATOM 900 C GLY A 77 16.976 19.025 -21.892 1.00 0.00 C ATOM 901 O GLY A 77 17.634 20.060 -22.024 1.00 0.00 O ATOM 0 H GLY A 77 14.110 17.448 -22.340 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.740 18.374 -23.526 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.239 19.894 -22.813 1.00 0.00 H new ATOM 905 N GLY A 78 17.390 18.006 -21.130 1.00 0.00 N ATOM 906 CA GLY A 78 18.662 17.976 -20.396 1.00 0.00 C ATOM 907 C GLY A 78 18.630 18.557 -18.972 1.00 0.00 C ATOM 908 O GLY A 78 19.696 18.787 -18.398 1.00 0.00 O ATOM 0 H GLY A 78 16.837 17.158 -21.003 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.001 16.942 -20.338 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.406 18.524 -20.974 1.00 0.00 H new ATOM 912 N ASP A 79 17.452 18.797 -18.378 1.00 0.00 N ATOM 913 CA ASP A 79 17.326 19.197 -16.973 1.00 0.00 C ATOM 914 C ASP A 79 17.807 18.077 -16.021 1.00 0.00 C ATOM 915 O ASP A 79 17.816 16.882 -16.354 1.00 0.00 O ATOM 916 CB ASP A 79 15.867 19.621 -16.709 1.00 0.00 C ATOM 917 CG ASP A 79 15.655 20.262 -15.327 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.425 19.511 -14.355 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.729 21.507 -15.202 1.00 0.00 O ATOM 0 H ASP A 79 16.558 18.718 -18.862 1.00 0.00 H new ATOM 0 HA ASP A 79 17.974 20.049 -16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.557 20.327 -17.480 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.221 18.747 -16.799 1.00 0.00 H new ATOM 924 N LEU A 80 18.164 18.461 -14.793 1.00 0.00 N ATOM 925 CA LEU A 80 18.513 17.522 -13.728 1.00 0.00 C ATOM 926 C LEU A 80 17.405 16.480 -13.461 1.00 0.00 C ATOM 927 O LEU A 80 17.715 15.361 -13.069 1.00 0.00 O ATOM 928 CB LEU A 80 18.939 18.281 -12.467 1.00 0.00 C ATOM 929 CG LEU A 80 20.201 19.153 -12.616 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.493 19.841 -11.282 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.442 18.348 -13.012 1.00 0.00 C ATOM 0 H LEU A 80 18.219 19.439 -14.509 1.00 0.00 H new ATOM 0 HA LEU A 80 19.369 16.938 -14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.113 18.918 -12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.109 17.559 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 80 19.997 19.871 -13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.385 20.460 -11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.646 20.467 -11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.657 19.087 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.297 19.018 -13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.647 17.597 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.266 17.855 -13.968 1.00 0.00 H new ATOM 943 N LEU A 81 16.134 16.805 -13.723 1.00 0.00 N ATOM 944 CA LEU A 81 15.005 15.856 -13.732 1.00 0.00 C ATOM 945 C LEU A 81 15.243 14.698 -14.723 1.00 0.00 C ATOM 946 O LEU A 81 15.090 13.526 -14.380 1.00 0.00 O ATOM 947 CB LEU A 81 13.731 16.647 -14.108 1.00 0.00 C ATOM 948 CG LEU A 81 12.460 15.815 -14.359 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.010 15.056 -13.115 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.320 16.736 -14.789 1.00 0.00 C ATOM 0 H LEU A 81 15.850 17.760 -13.941 1.00 0.00 H new ATOM 0 HA LEU A 81 14.898 15.403 -12.746 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.522 17.358 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.942 17.229 -15.005 1.00 0.00 H new ATOM 0 HG LEU A 81 12.702 15.093 -15.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.110 14.485 -13.343 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.801 14.376 -12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.797 15.764 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.422 16.145 -14.966 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.125 17.465 -14.003 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.598 17.256 -15.706 1.00 0.00 H new ATOM 962 N GLY A 82 15.652 15.030 -15.949 1.00 0.00 N ATOM 963 CA GLY A 82 16.008 14.052 -16.985 1.00 0.00 C ATOM 964 C GLY A 82 17.262 13.252 -16.626 1.00 0.00 C ATOM 965 O GLY A 82 17.285 12.033 -16.799 1.00 0.00 O ATOM 0 H GLY A 82 15.747 15.998 -16.257 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.174 13.367 -17.136 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.169 14.570 -17.930 1.00 0.00 H new ATOM 969 N GLU A 83 18.276 13.898 -16.041 1.00 0.00 N ATOM 970 CA GLU A 83 19.481 13.225 -15.561 1.00 0.00 C ATOM 971 C GLU A 83 19.178 12.258 -14.395 1.00 0.00 C ATOM 972 O GLU A 83 19.727 11.155 -14.349 1.00 0.00 O ATOM 973 CB GLU A 83 20.460 14.343 -15.195 1.00 0.00 C ATOM 974 CG GLU A 83 21.630 13.938 -14.313 1.00 0.00 C ATOM 975 CD GLU A 83 22.579 12.890 -14.935 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.708 12.816 -16.182 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.241 12.147 -14.169 1.00 0.00 O ATOM 0 H GLU A 83 18.281 14.906 -15.888 1.00 0.00 H new ATOM 0 HA GLU A 83 19.917 12.578 -16.322 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.855 14.770 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 83 19.906 15.134 -14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.207 14.829 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.240 13.543 -13.375 1.00 0.00 H new ATOM 984 N LEU A 84 18.259 12.629 -13.493 1.00 0.00 N ATOM 985 CA LEU A 84 17.778 11.797 -12.387 1.00 0.00 C ATOM 986 C LEU A 84 17.022 10.556 -12.892 1.00 0.00 C ATOM 987 O LEU A 84 17.274 9.442 -12.430 1.00 0.00 O ATOM 988 CB LEU A 84 16.893 12.668 -11.469 1.00 0.00 C ATOM 989 CG LEU A 84 16.130 11.921 -10.357 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.065 11.231 -9.366 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.257 12.912 -9.584 1.00 0.00 C ATOM 0 H LEU A 84 17.817 13.548 -13.516 1.00 0.00 H new ATOM 0 HA LEU A 84 18.630 11.421 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.523 13.426 -11.004 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.167 13.194 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 84 15.526 11.155 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.475 10.720 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.683 10.505 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.705 11.975 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.717 12.385 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.887 13.681 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.544 13.377 -10.265 1.00 0.00 H new ATOM 1003 N LEU A 85 16.105 10.746 -13.848 1.00 0.00 N ATOM 1004 CA LEU A 85 15.283 9.665 -14.411 1.00 0.00 C ATOM 1005 C LEU A 85 16.021 8.804 -15.458 1.00 0.00 C ATOM 1006 O LEU A 85 15.570 7.700 -15.766 1.00 0.00 O ATOM 1007 CB LEU A 85 13.986 10.272 -14.977 1.00 0.00 C ATOM 1008 CG LEU A 85 13.078 10.926 -13.912 1.00 0.00 C ATOM 1009 CD1 LEU A 85 11.927 11.643 -14.606 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.470 9.919 -12.938 1.00 0.00 C ATOM 0 H LEU A 85 15.910 11.660 -14.256 1.00 0.00 H new ATOM 0 HA LEU A 85 15.046 8.970 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.245 11.020 -15.727 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.424 9.490 -15.487 1.00 0.00 H new ATOM 0 HG LEU A 85 13.710 11.610 -13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.283 12.106 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.324 12.411 -15.269 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.349 10.925 -15.188 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.844 10.443 -12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.864 9.200 -13.489 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.268 9.394 -12.412 1.00 0.00 H new ATOM 1022 N GLY A 86 17.141 9.286 -16.015 1.00 0.00 N ATOM 1023 CA GLY A 86 17.956 8.580 -17.020 1.00 0.00 C ATOM 1024 C GLY A 86 17.429 8.693 -18.462 1.00 0.00 C ATOM 1025 O GLY A 86 18.060 8.200 -19.400 1.00 0.00 O ATOM 0 H GLY A 86 17.517 10.203 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.972 8.972 -16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.012 7.526 -16.749 1.00 0.00 H new ATOM 1029 N ARG A 87 16.285 9.366 -18.634 1.00 0.00 N ATOM 1030 CA ARG A 87 15.644 9.759 -19.900 1.00 0.00 C ATOM 1031 C ARG A 87 14.935 11.084 -19.707 1.00 0.00 C ATOM 1032 O ARG A 87 14.340 11.341 -18.662 1.00 0.00 O ATOM 1033 CB ARG A 87 14.674 8.680 -20.438 1.00 0.00 C ATOM 1034 CG ARG A 87 13.885 7.910 -19.362 1.00 0.00 C ATOM 1035 CD ARG A 87 12.965 6.842 -19.967 1.00 0.00 C ATOM 1036 NE ARG A 87 11.737 7.426 -20.543 1.00 0.00 N ATOM 1037 CZ ARG A 87 10.577 6.826 -20.743 1.00 0.00 C ATOM 1038 NH1 ARG A 87 10.334 5.577 -20.481 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.578 7.494 -21.217 1.00 0.00 N ATOM 0 H ARG A 87 15.739 9.675 -17.830 1.00 0.00 H new ATOM 0 HA ARG A 87 16.423 9.865 -20.655 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.964 9.157 -21.114 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.245 7.964 -21.029 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.583 7.436 -18.672 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.289 8.612 -18.780 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.504 6.297 -20.742 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.695 6.119 -19.197 1.00 0.00 H new ATOM 0 HE ARG A 87 11.791 8.407 -20.818 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.068 4.985 -20.092 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.409 5.188 -20.665 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.685 8.484 -21.437 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.682 7.031 -21.372 1.00 0.00 H new ATOM 1053 N GLN A 88 15.000 11.914 -20.741 1.00 0.00 N ATOM 1054 CA GLN A 88 14.528 13.295 -20.703 1.00 0.00 C ATOM 1055 C GLN A 88 13.095 13.448 -21.264 1.00 0.00 C ATOM 1056 O GLN A 88 12.646 14.565 -21.508 1.00 0.00 O ATOM 1057 CB GLN A 88 15.627 14.189 -21.321 1.00 0.00 C ATOM 1058 CG GLN A 88 15.501 14.305 -22.841 1.00 0.00 C ATOM 1059 CD GLN A 88 16.746 14.867 -23.528 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.619 15.477 -22.926 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.871 14.697 -24.827 1.00 0.00 N ATOM 0 H GLN A 88 15.388 11.643 -21.645 1.00 0.00 H new ATOM 0 HA GLN A 88 14.388 13.644 -19.680 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.574 15.184 -20.878 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.606 13.781 -21.071 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.285 13.319 -23.253 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.649 14.943 -23.077 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.154 14.191 -25.347 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.685 15.071 -25.314 1.00 0.00 H new ATOM 1070 N SER A 89 12.356 12.351 -21.463 1.00 0.00 N ATOM 1071 CA SER A 89 10.920 12.410 -21.785 1.00 0.00 C ATOM 1072 C SER A 89 10.131 11.229 -21.212 1.00 0.00 C ATOM 1073 O SER A 89 10.620 10.097 -21.166 1.00 0.00 O ATOM 1074 CB SER A 89 10.695 12.556 -23.296 1.00 0.00 C ATOM 1075 OG SER A 89 11.240 11.455 -24.012 1.00 0.00 O ATOM 0 H SER A 89 12.729 11.403 -21.407 1.00 0.00 H new ATOM 0 HA SER A 89 10.530 13.303 -21.296 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.627 12.632 -23.500 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.153 13.481 -23.646 1.00 0.00 H new ATOM 0 HG SER A 89 11.079 11.577 -24.971 1.00 0.00 H new ATOM 1081 N PHE A 90 8.916 11.505 -20.733 1.00 0.00 N ATOM 1082 CA PHE A 90 7.967 10.563 -20.114 1.00 0.00 C ATOM 1083 C PHE A 90 6.562 11.197 -20.055 1.00 0.00 C ATOM 1084 O PHE A 90 6.399 12.372 -20.386 1.00 0.00 O ATOM 1085 CB PHE A 90 8.463 10.150 -18.714 1.00 0.00 C ATOM 1086 CG PHE A 90 8.586 11.262 -17.690 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.750 12.053 -17.643 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.561 11.471 -16.748 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.884 13.052 -16.665 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.704 12.462 -15.761 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.867 13.249 -15.717 1.00 0.00 C ATOM 0 H PHE A 90 8.540 12.452 -20.767 1.00 0.00 H new ATOM 0 HA PHE A 90 7.904 9.660 -20.721 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.783 9.395 -18.319 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.438 9.675 -18.823 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.541 11.891 -18.360 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.664 10.870 -16.783 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.770 13.669 -16.642 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.919 12.618 -15.036 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.979 14.005 -14.954 1.00 0.00 H new ATOM 1101 N SER A 91 5.536 10.447 -19.649 1.00 0.00 N ATOM 1102 CA SER A 91 4.147 10.935 -19.591 1.00 0.00 C ATOM 1103 C SER A 91 3.380 10.386 -18.386 1.00 0.00 C ATOM 1104 O SER A 91 3.862 9.503 -17.674 1.00 0.00 O ATOM 1105 CB SER A 91 3.419 10.558 -20.887 1.00 0.00 C ATOM 1106 OG SER A 91 3.083 9.179 -20.873 1.00 0.00 O ATOM 0 H SER A 91 5.640 9.478 -19.348 1.00 0.00 H new ATOM 0 HA SER A 91 4.185 12.019 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.516 11.159 -20.995 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.052 10.777 -21.746 1.00 0.00 H new ATOM 0 HG SER A 91 2.617 8.947 -21.703 1.00 0.00 H new ATOM 1112 N VAL A 92 2.141 10.850 -18.192 1.00 0.00 N ATOM 1113 CA VAL A 92 1.209 10.259 -17.210 1.00 0.00 C ATOM 1114 C VAL A 92 0.745 8.835 -17.582 1.00 0.00 C ATOM 1115 O VAL A 92 0.204 8.130 -16.729 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.003 11.172 -16.941 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.437 12.563 -16.467 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.903 11.320 -18.174 1.00 0.00 C ATOM 0 H VAL A 92 1.752 11.641 -18.705 1.00 0.00 H new ATOM 0 HA VAL A 92 1.784 10.171 -16.288 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.577 10.687 -16.151 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.443 13.181 -16.287 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.010 12.469 -15.544 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.057 13.029 -17.233 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.743 11.972 -17.935 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.329 11.753 -18.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.277 10.340 -18.471 1.00 0.00 H new ATOM 1128 N LYS A 93 0.972 8.390 -18.832 1.00 0.00 N ATOM 1129 CA LYS A 93 0.740 7.002 -19.287 1.00 0.00 C ATOM 1130 C LYS A 93 1.992 6.118 -19.180 1.00 0.00 C ATOM 1131 O LYS A 93 1.869 4.896 -19.090 1.00 0.00 O ATOM 1132 CB LYS A 93 0.188 6.985 -20.723 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.120 7.782 -20.877 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.886 7.437 -22.166 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.057 7.654 -23.442 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.848 7.350 -24.667 1.00 0.00 N ATOM 0 H LYS A 93 1.329 8.996 -19.571 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.003 6.575 -18.613 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.938 7.395 -21.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.015 5.953 -21.027 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.761 7.588 -20.017 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.892 8.848 -20.870 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.207 6.396 -22.122 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.788 8.047 -22.219 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.709 8.686 -23.480 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.171 7.020 -23.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.258 7.507 -25.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.159 6.358 -24.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.680 7.973 -24.706 1.00 0.00 H new ATOM 1150 N ASP A 94 3.181 6.725 -19.148 1.00 0.00 N ATOM 1151 CA ASP A 94 4.482 6.064 -18.971 1.00 0.00 C ATOM 1152 C ASP A 94 5.304 6.669 -17.800 1.00 0.00 C ATOM 1153 O ASP A 94 6.406 7.180 -18.023 1.00 0.00 O ATOM 1154 CB ASP A 94 5.220 6.086 -20.324 1.00 0.00 C ATOM 1155 CG ASP A 94 6.520 5.260 -20.327 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.550 4.153 -19.740 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.512 5.694 -20.965 1.00 0.00 O ATOM 0 H ASP A 94 3.270 7.736 -19.249 1.00 0.00 H new ATOM 0 HA ASP A 94 4.332 5.026 -18.674 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.554 5.704 -21.098 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.454 7.118 -20.585 1.00 0.00 H new ATOM 1162 N PRO A 95 4.801 6.634 -16.542 1.00 0.00 N ATOM 1163 CA PRO A 95 5.499 7.159 -15.357 1.00 0.00 C ATOM 1164 C PRO A 95 6.608 6.226 -14.828 1.00 0.00 C ATOM 1165 O PRO A 95 7.276 6.541 -13.840 1.00 0.00 O ATOM 1166 CB PRO A 95 4.392 7.360 -14.318 1.00 0.00 C ATOM 1167 CG PRO A 95 3.447 6.198 -14.620 1.00 0.00 C ATOM 1168 CD PRO A 95 3.492 6.128 -16.146 1.00 0.00 C ATOM 0 HA PRO A 95 6.030 8.080 -15.597 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.778 7.316 -13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.899 8.325 -14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.785 5.269 -14.160 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.439 6.388 -14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.350 5.104 -16.492 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.695 6.727 -16.586 1.00 0.00 H new ATOM 1176 N SER A 96 6.820 5.078 -15.480 1.00 0.00 N ATOM 1177 CA SER A 96 7.784 4.025 -15.130 1.00 0.00 C ATOM 1178 C SER A 96 9.206 4.494 -14.766 1.00 0.00 C ATOM 1179 O SER A 96 9.788 3.877 -13.870 1.00 0.00 O ATOM 1180 CB SER A 96 7.862 3.015 -16.282 1.00 0.00 C ATOM 1181 OG SER A 96 6.558 2.553 -16.609 1.00 0.00 O ATOM 0 H SER A 96 6.290 4.843 -16.319 1.00 0.00 H new ATOM 0 HA SER A 96 7.396 3.583 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.322 3.480 -17.154 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.495 2.174 -15.998 1.00 0.00 H new ATOM 0 HG SER A 96 6.614 1.910 -17.346 1.00 0.00 H new ATOM 1187 N PRO A 97 9.781 5.576 -15.346 1.00 0.00 N ATOM 1188 CA PRO A 97 11.122 6.035 -14.968 1.00 0.00 C ATOM 1189 C PRO A 97 11.280 6.411 -13.486 1.00 0.00 C ATOM 1190 O PRO A 97 12.364 6.224 -12.937 1.00 0.00 O ATOM 1191 CB PRO A 97 11.431 7.218 -15.893 1.00 0.00 C ATOM 1192 CG PRO A 97 10.617 6.881 -17.137 1.00 0.00 C ATOM 1193 CD PRO A 97 9.344 6.307 -16.535 1.00 0.00 C ATOM 0 HA PRO A 97 11.832 5.216 -15.088 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.127 8.168 -15.453 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.496 7.295 -16.113 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.419 7.763 -17.746 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.127 6.160 -17.776 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.640 7.097 -16.275 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.837 5.647 -17.239 1.00 0.00 H new ATOM 1201 N LEU A 98 10.217 6.878 -12.810 1.00 0.00 N ATOM 1202 CA LEU A 98 10.245 7.133 -11.360 1.00 0.00 C ATOM 1203 C LEU A 98 10.377 5.815 -10.584 1.00 0.00 C ATOM 1204 O LEU A 98 11.238 5.655 -9.717 1.00 0.00 O ATOM 1205 CB LEU A 98 8.965 7.862 -10.895 1.00 0.00 C ATOM 1206 CG LEU A 98 8.898 9.374 -11.172 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.635 9.709 -12.642 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.765 9.968 -10.331 1.00 0.00 C ATOM 0 H LEU A 98 9.321 7.088 -13.249 1.00 0.00 H new ATOM 0 HA LEU A 98 11.108 7.767 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.109 7.389 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.854 7.706 -9.822 1.00 0.00 H new ATOM 0 HG LEU A 98 9.870 9.795 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.600 10.791 -12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.435 9.298 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.683 9.277 -12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.701 11.041 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.822 9.496 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.965 9.791 -9.274 1.00 0.00 H new ATOM 1220 N TYR A 99 9.537 4.840 -10.923 1.00 0.00 N ATOM 1221 CA TYR A 99 9.532 3.548 -10.245 1.00 0.00 C ATOM 1222 C TYR A 99 10.848 2.792 -10.467 1.00 0.00 C ATOM 1223 O TYR A 99 11.348 2.161 -9.542 1.00 0.00 O ATOM 1224 CB TYR A 99 8.322 2.729 -10.710 1.00 0.00 C ATOM 1225 CG TYR A 99 6.977 3.334 -10.346 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.402 3.054 -9.091 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.296 4.167 -11.259 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.146 3.593 -8.753 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.043 4.714 -10.921 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.461 4.424 -9.666 1.00 0.00 C ATOM 1231 OH TYR A 99 3.240 4.928 -9.334 1.00 0.00 O ATOM 0 H TYR A 99 8.846 4.922 -11.669 1.00 0.00 H new ATOM 0 HA TYR A 99 9.447 3.715 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.373 2.611 -11.792 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.387 1.731 -10.277 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.926 2.425 -8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.737 4.386 -12.220 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.705 3.370 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.527 5.355 -11.621 1.00 0.00 H new ATOM 0 HH TYR A 99 2.903 5.481 -10.070 1.00 0.00 H new ATOM 1241 N ASP A 100 11.479 2.929 -11.636 1.00 0.00 N ATOM 1242 CA ASP A 100 12.812 2.374 -11.910 1.00 0.00 C ATOM 1243 C ASP A 100 13.940 3.063 -11.116 1.00 0.00 C ATOM 1244 O ASP A 100 14.920 2.429 -10.722 1.00 0.00 O ATOM 1245 CB ASP A 100 13.094 2.498 -13.407 1.00 0.00 C ATOM 1246 CG ASP A 100 14.320 1.667 -13.823 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.376 0.459 -13.486 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.233 2.214 -14.486 1.00 0.00 O ATOM 0 H ASP A 100 11.078 3.432 -12.427 1.00 0.00 H new ATOM 0 HA ASP A 100 12.802 1.332 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.222 2.168 -13.971 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.260 3.545 -13.661 1.00 0.00 H new ATOM 1253 N MET A 101 13.778 4.357 -10.835 1.00 0.00 N ATOM 1254 CA MET A 101 14.626 5.141 -9.934 1.00 0.00 C ATOM 1255 C MET A 101 14.471 4.674 -8.468 1.00 0.00 C ATOM 1256 O MET A 101 15.447 4.675 -7.717 1.00 0.00 O ATOM 1257 CB MET A 101 14.291 6.633 -10.181 1.00 0.00 C ATOM 1258 CG MET A 101 14.274 7.545 -8.955 1.00 0.00 C ATOM 1259 SD MET A 101 13.526 9.176 -9.257 1.00 0.00 S ATOM 1260 CE MET A 101 11.908 8.961 -8.452 1.00 0.00 C ATOM 0 H MET A 101 13.024 4.909 -11.244 1.00 0.00 H new ATOM 0 HA MET A 101 15.686 4.992 -10.139 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.016 7.031 -10.891 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.313 6.687 -10.659 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.727 7.049 -8.153 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.297 7.685 -8.605 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.288 9.837 -8.642 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.417 8.075 -8.854 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.049 8.842 -7.378 1.00 0.00 H new ATOM 1270 N LEU A 102 13.267 4.246 -8.062 1.00 0.00 N ATOM 1271 CA LEU A 102 12.910 3.915 -6.672 1.00 0.00 C ATOM 1272 C LEU A 102 13.090 2.436 -6.311 1.00 0.00 C ATOM 1273 O LEU A 102 13.579 2.161 -5.219 1.00 0.00 O ATOM 1274 CB LEU A 102 11.471 4.395 -6.404 1.00 0.00 C ATOM 1275 CG LEU A 102 11.341 5.928 -6.477 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.879 6.334 -6.619 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.946 6.607 -5.247 1.00 0.00 C ATOM 0 H LEU A 102 12.490 4.116 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 102 13.610 4.437 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.798 3.941 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.154 4.053 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 102 11.896 6.258 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.806 7.420 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.468 5.900 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.316 5.972 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.835 7.688 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.431 6.262 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.004 6.356 -5.177 1.00 0.00 H new ATOM 1289 N ARG A 103 12.799 1.494 -7.222 1.00 0.00 N ATOM 1290 CA ARG A 103 13.002 0.030 -7.053 1.00 0.00 C ATOM 1291 C ARG A 103 14.443 -0.360 -6.717 1.00 0.00 C ATOM 1292 O ARG A 103 14.707 -1.402 -6.118 1.00 0.00 O ATOM 1293 CB ARG A 103 12.509 -0.705 -8.318 1.00 0.00 C ATOM 1294 CG ARG A 103 13.290 -0.476 -9.625 1.00 0.00 C ATOM 1295 CD ARG A 103 14.541 -1.339 -9.851 1.00 0.00 C ATOM 1296 NE ARG A 103 15.078 -1.120 -11.206 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.143 -1.668 -11.757 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.898 -2.534 -11.141 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.448 -1.324 -12.971 1.00 0.00 N ATOM 0 H ARG A 103 12.402 1.730 -8.131 1.00 0.00 H new ATOM 0 HA ARG A 103 12.413 -0.277 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.512 -1.775 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.472 -0.417 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.609 -0.642 -10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.590 0.571 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.300 -1.093 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.293 -2.392 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 103 14.561 -0.463 -11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.675 -2.817 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.712 -2.928 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.870 -0.648 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.266 -1.730 -13.426 1.00 0.00 H new ATOM 1313 N LYS A 104 15.372 0.501 -7.139 1.00 0.00 N ATOM 1314 CA LYS A 104 16.816 0.417 -6.893 1.00 0.00 C ATOM 1315 C LYS A 104 17.185 0.711 -5.430 1.00 0.00 C ATOM 1316 O LYS A 104 18.194 0.187 -4.956 1.00 0.00 O ATOM 1317 CB LYS A 104 17.494 1.364 -7.895 1.00 0.00 C ATOM 1318 CG LYS A 104 19.029 1.339 -7.839 1.00 0.00 C ATOM 1319 CD LYS A 104 19.671 2.054 -9.039 1.00 0.00 C ATOM 1320 CE LYS A 104 19.125 3.477 -9.232 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.859 4.204 -10.306 1.00 0.00 N ATOM 0 H LYS A 104 15.124 1.321 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 104 17.173 -0.601 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.173 1.100 -8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.150 2.381 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.364 1.812 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.372 0.305 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.751 2.098 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.492 1.473 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.065 3.430 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.207 4.029 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.465 5.161 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.866 4.270 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.759 3.689 -11.204 1.00 0.00 H new ATOM 1335 N ASN A 105 16.370 1.495 -4.707 1.00 0.00 N ATOM 1336 CA ASN A 105 16.573 1.758 -3.270 1.00 0.00 C ATOM 1337 C ASN A 105 15.489 1.143 -2.355 1.00 0.00 C ATOM 1338 O ASN A 105 15.793 0.243 -1.568 1.00 0.00 O ATOM 1339 CB ASN A 105 16.780 3.262 -3.044 1.00 0.00 C ATOM 1340 CG ASN A 105 17.350 3.517 -1.656 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.631 3.622 -0.675 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.655 3.590 -1.522 1.00 0.00 N ATOM 0 H ASN A 105 15.553 1.964 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 105 17.481 1.237 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.456 3.660 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.831 3.787 -3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.066 3.734 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.257 3.502 -2.340 1.00 0.00 H new ATOM 1349 N LEU A 106 14.231 1.594 -2.457 1.00 0.00 N ATOM 1350 CA LEU A 106 13.072 0.992 -1.799 1.00 0.00 C ATOM 1351 C LEU A 106 12.805 -0.403 -2.398 1.00 0.00 C ATOM 1352 O LEU A 106 12.868 -0.577 -3.616 1.00 0.00 O ATOM 1353 CB LEU A 106 11.870 1.936 -2.034 1.00 0.00 C ATOM 1354 CG LEU A 106 10.808 2.011 -0.924 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.648 2.851 -1.452 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.243 0.668 -0.467 1.00 0.00 C ATOM 0 H LEU A 106 13.989 2.412 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 106 13.243 0.866 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.257 2.941 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.375 1.629 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 106 11.306 2.439 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.875 2.925 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.006 3.849 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.234 2.380 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.503 0.832 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.771 0.165 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.050 0.046 -0.080 1.00 0.00 H new ATOM 1368 N VAL A 107 12.431 -1.385 -1.572 1.00 0.00 N ATOM 1369 CA VAL A 107 11.942 -2.696 -2.041 1.00 0.00 C ATOM 1370 C VAL A 107 10.501 -2.540 -2.562 1.00 0.00 C ATOM 1371 O VAL A 107 9.528 -2.882 -1.888 1.00 0.00 O ATOM 1372 CB VAL A 107 12.092 -3.786 -0.953 1.00 0.00 C ATOM 1373 CG1 VAL A 107 11.770 -5.180 -1.509 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.527 -3.847 -0.405 1.00 0.00 C ATOM 0 H VAL A 107 12.457 -1.298 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 107 12.558 -3.043 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 107 11.393 -3.514 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.885 -5.922 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.744 -5.197 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.452 -5.412 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 107 13.593 -4.624 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.217 -4.075 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.790 -2.885 0.035 1.00 0.00 H new ATOM 1384 N THR A 108 10.368 -1.942 -3.752 1.00 0.00 N ATOM 1385 CA THR A 108 9.091 -1.628 -4.419 1.00 0.00 C ATOM 1386 C THR A 108 9.038 -2.115 -5.870 1.00 0.00 C ATOM 1387 O THR A 108 10.027 -2.590 -6.436 1.00 0.00 O ATOM 1388 CB THR A 108 8.739 -0.133 -4.296 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.353 0.034 -4.515 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.487 0.819 -5.232 1.00 0.00 C ATOM 0 H THR A 108 11.177 -1.651 -4.301 1.00 0.00 H new ATOM 0 HA THR A 108 8.321 -2.189 -3.889 1.00 0.00 H new ATOM 0 HB THR A 108 9.053 0.141 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.121 0.983 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.155 1.841 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.558 0.747 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.282 0.547 -6.267 1.00 0.00 H new ATOM 1398 N LEU A 109 7.846 -2.020 -6.453 1.00 0.00 N ATOM 1399 CA LEU A 109 7.497 -2.537 -7.779 1.00 0.00 C ATOM 1400 C LEU A 109 7.803 -1.519 -8.894 1.00 0.00 C ATOM 1401 O LEU A 109 7.684 -0.307 -8.699 1.00 0.00 O ATOM 1402 CB LEU A 109 6.011 -2.964 -7.808 1.00 0.00 C ATOM 1403 CG LEU A 109 5.607 -4.256 -7.065 1.00 0.00 C ATOM 1404 CD1 LEU A 109 6.351 -5.487 -7.588 1.00 0.00 C ATOM 1405 CD2 LEU A 109 5.786 -4.191 -5.547 1.00 0.00 C ATOM 0 H LEU A 109 7.059 -1.560 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 109 8.119 -3.412 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.421 -2.145 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.717 -3.075 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 109 4.541 -4.348 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.031 -6.369 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.129 -5.624 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.424 -5.346 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.479 -5.138 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.834 -4.002 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.173 -3.386 -5.142 1.00 0.00 H new ATOM 1417 N ALA A 110 8.153 -2.030 -10.078 1.00 0.00 N ATOM 1418 CA ALA A 110 8.346 -1.268 -11.316 1.00 0.00 C ATOM 1419 C ALA A 110 8.019 -2.112 -12.564 1.00 0.00 C ATOM 1420 O ALA A 110 7.720 -3.306 -12.464 1.00 0.00 O ATOM 1421 CB ALA A 110 9.793 -0.775 -11.381 1.00 0.00 C ATOM 0 H ALA A 110 8.317 -3.029 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 110 7.661 -0.420 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.943 -0.208 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 110 9.999 -0.136 -10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.469 -1.630 -11.368 1.00 0.00 H new ATOM 1427 N THR A 111 8.074 -1.486 -13.746 1.00 0.00 N ATOM 1428 CA THR A 111 7.692 -2.112 -15.024 1.00 0.00 C ATOM 1429 C THR A 111 8.365 -1.490 -16.252 1.00 0.00 C ATOM 1430 O THR A 111 9.036 -0.451 -16.163 1.00 0.00 O ATOM 1431 CB THR A 111 6.166 -2.071 -15.150 1.00 0.00 C ATOM 1432 OG1 THR A 111 5.754 -2.929 -16.196 1.00 0.00 O ATOM 1433 CG2 THR A 111 5.576 -0.680 -15.401 1.00 0.00 C ATOM 0 H THR A 111 8.388 -0.521 -13.846 1.00 0.00 H new ATOM 0 HA THR A 111 8.049 -3.142 -15.004 1.00 0.00 H new ATOM 0 HB THR A 111 5.788 -2.395 -14.180 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.777 -2.903 -16.275 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.491 -0.753 -15.476 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.839 -0.019 -14.575 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.977 -0.277 -16.331 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.349 13.892 -12.581 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.800 13.903 -11.437 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.391 11.954 -11.256 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.086 15.616 -14.257 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.351 14.056 -12.716 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.541 13.242 -10.453 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.161 11.316 -12.371 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.627 11.213 -10.094 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.140 15.097 -15.027 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.288 16.622 -14.832 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.622 13.560 -13.001 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.807 12.737 -10.741 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.470 9.959 -12.320 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.335 9.851 -10.052 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.441 15.610 -16.285 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.606 17.137 -16.092 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.348 12.903 -12.012 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.214 9.221 -11.167 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.685 16.651 -16.811 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.924 12.291 -12.361 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.174 9.184 -13.692 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.263 17.161 -18.654 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.712 16.686 -15.735 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.916 18.176 -13.696 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.335 20.287 -11.097 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.594 19.867 -10.913 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.102 21.471 -10.944 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.031 18.477 -11.063 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.665 17.831 -11.632 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.097 17.652 -11.968 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.004 15.583 -11.901 1.00 0.00 N HETATM 1473 O3 49H A 200 -1.952 17.218 -18.041 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.261 19.260 -11.458 1.00 0.00 C HETATM 1475 C5 49H A 200 0.242 16.829 -11.434 1.00 0.00 C HETATM 1476 O5 49H A 200 1.257 17.048 -10.795 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.880 15.044 -12.885 1.00 0.00 C HETATM 1478 O6 49H A 200 0.851 17.062 -14.184 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.758 13.436 -11.296 1.00 0.00 C HETATM 1480 C8 49H A 200 0.410 14.438 -11.080 1.00 0.00 C HETATM 1481 C9 49H A 200 1.988 17.695 -14.820 1.00 0.00 C