USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=15 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 53 MET CE :methyl -168:sc= -0.0668 (180deg=-0.632) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 1.85 K(o=2.7,f=-0.15) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.894 K(o=2.7,f=1) USER MOD Set 4.1: A 59 TYR OH : rot 16:sc= 1.9 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -160:sc= 1.79 (180deg=1.01) USER MOD Single : A 23 GLN : amide:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 25 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.005) USER MOD Single : A 26 GLN : amide:sc= -0.746 K(o=-0.75,f=-2.3) 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= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 93:sc= 0.0384 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00214 X(o=-0.0021,f=-0.14) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.378 K(o=0.38,f=-0.59) USER MOD Single : A 61 MET CE :methyl 156:sc= 0 (180deg=-0.0259) USER MOD Single : A 64 GLN : amide:sc= 0.182 X(o=0.18,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.138 K(o=0.14,f=-3.1!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0578 K(o=-0.058,f=-2.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 33:sc= 0.242 USER MOD Single : A 88 GLN : amide:sc= 0.754 K(o=0.75,f=-4.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 180:sc= -0.312 (180deg=-0.312) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.26) USER MOD Single : A 108 THR OG1 : rot -160:sc= -0.0547 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 16.214 4.591 10.655 1.00 0.00 N ATOM 2 CA GLN A 23 15.557 5.188 9.489 1.00 0.00 C ATOM 3 C GLN A 23 14.307 4.386 9.060 1.00 0.00 C ATOM 4 O GLN A 23 14.237 3.167 9.249 1.00 0.00 O ATOM 5 CB GLN A 23 16.591 5.317 8.351 1.00 0.00 C ATOM 6 CG GLN A 23 16.154 6.249 7.206 1.00 0.00 C ATOM 7 CD GLN A 23 17.235 6.375 6.134 1.00 0.00 C ATOM 8 OE1 GLN A 23 18.059 7.283 6.140 1.00 0.00 O ATOM 9 NE2 GLN A 23 17.289 5.472 5.178 1.00 0.00 N ATOM 0 HA GLN A 23 15.192 6.182 9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.529 5.685 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.791 4.326 7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.238 5.867 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.924 7.236 7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.611 4.710 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.008 5.534 4.458 1.00 0.00 H new ATOM 18 N ILE A 24 13.323 5.067 8.460 1.00 0.00 N ATOM 19 CA ILE A 24 12.119 4.468 7.861 1.00 0.00 C ATOM 20 C ILE A 24 12.420 3.637 6.606 1.00 0.00 C ATOM 21 O ILE A 24 13.498 3.718 6.015 1.00 0.00 O ATOM 22 CB ILE A 24 11.068 5.559 7.542 1.00 0.00 C ATOM 23 CG1 ILE A 24 11.659 6.774 6.776 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.336 5.988 8.819 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.650 7.882 6.442 1.00 0.00 C ATOM 0 H ILE A 24 13.341 6.083 8.374 1.00 0.00 H new ATOM 0 HA ILE A 24 11.715 3.781 8.604 1.00 0.00 H new ATOM 0 HB ILE A 24 10.342 5.113 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.464 7.204 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.105 6.417 5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.601 6.755 8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.831 5.126 9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.055 6.388 9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.156 8.686 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.856 7.474 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.221 8.273 7.364 1.00 0.00 H new ATOM 37 N ASN A 25 11.416 2.874 6.157 1.00 0.00 N ATOM 38 CA ASN A 25 11.489 1.921 5.039 1.00 0.00 C ATOM 39 C ASN A 25 11.422 2.579 3.639 1.00 0.00 C ATOM 40 O ASN A 25 10.850 2.037 2.694 1.00 0.00 O ATOM 41 CB ASN A 25 10.411 0.841 5.254 1.00 0.00 C ATOM 42 CG ASN A 25 10.370 0.284 6.671 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.385 0.419 7.384 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.441 -0.306 7.155 1.00 0.00 N ATOM 0 H ASN A 25 10.489 2.904 6.581 1.00 0.00 H new ATOM 0 HA ASN A 25 12.476 1.458 5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.435 1.262 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.587 0.022 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.445 -0.646 8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.267 -0.424 6.569 1.00 0.00 H new ATOM 51 N GLN A 26 11.990 3.780 3.547 1.00 0.00 N ATOM 52 CA GLN A 26 11.896 4.771 2.468 1.00 0.00 C ATOM 53 C GLN A 26 13.283 5.231 1.984 1.00 0.00 C ATOM 54 O GLN A 26 14.320 4.727 2.426 1.00 0.00 O ATOM 55 CB GLN A 26 11.043 5.970 2.939 1.00 0.00 C ATOM 56 CG GLN A 26 9.829 5.612 3.814 1.00 0.00 C ATOM 57 CD GLN A 26 8.911 4.547 3.211 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.812 4.369 2.006 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.234 3.775 4.035 1.00 0.00 N ATOM 0 H GLN A 26 12.588 4.121 4.300 1.00 0.00 H new ATOM 0 HA GLN A 26 11.410 4.300 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.683 6.653 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.690 6.510 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.185 5.262 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.247 6.516 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.309 3.915 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.634 3.037 3.666 1.00 0.00 H new ATOM 68 N VAL A 27 13.291 6.201 1.067 1.00 0.00 N ATOM 69 CA VAL A 27 14.497 6.704 0.382 1.00 0.00 C ATOM 70 C VAL A 27 15.072 7.909 1.150 1.00 0.00 C ATOM 71 O VAL A 27 14.526 8.296 2.178 1.00 0.00 O ATOM 72 CB VAL A 27 14.196 7.059 -1.102 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.445 6.998 -1.998 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.139 6.158 -1.758 1.00 0.00 C ATOM 0 H VAL A 27 12.439 6.675 0.768 1.00 0.00 H new ATOM 0 HA VAL A 27 15.249 5.915 0.372 1.00 0.00 H new ATOM 0 HB VAL A 27 13.817 8.079 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.172 7.255 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.190 7.705 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.860 5.990 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.986 6.470 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.480 5.123 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.200 6.241 -1.211 1.00 0.00 H new ATOM 84 N ARG A 28 16.257 8.388 0.750 1.00 0.00 N ATOM 85 CA ARG A 28 16.951 9.641 1.117 1.00 0.00 C ATOM 86 C ARG A 28 18.086 9.873 0.083 1.00 0.00 C ATOM 87 O ARG A 28 18.691 8.881 -0.332 1.00 0.00 O ATOM 88 CB ARG A 28 17.505 9.572 2.559 1.00 0.00 C ATOM 89 CG ARG A 28 18.348 10.811 2.924 1.00 0.00 C ATOM 90 CD ARG A 28 18.616 10.973 4.422 1.00 0.00 C ATOM 91 NE ARG A 28 19.183 9.754 5.033 1.00 0.00 N ATOM 92 CZ ARG A 28 20.452 9.429 5.196 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.435 10.187 4.799 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.740 8.301 5.774 1.00 0.00 N ATOM 0 H ARG A 28 16.819 7.852 0.089 1.00 0.00 H new ATOM 0 HA ARG A 28 16.253 10.478 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.675 9.481 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.115 8.675 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.302 10.753 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.838 11.703 2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.303 11.805 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.685 11.229 4.928 1.00 0.00 H new ATOM 0 HE ARG A 28 18.504 9.073 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.240 11.076 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.400 9.891 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.992 7.685 6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.714 8.031 5.909 1.00 0.00 H new ATOM 108 N PRO A 29 18.394 11.114 -0.353 1.00 0.00 N ATOM 109 CA PRO A 29 19.316 11.369 -1.467 1.00 0.00 C ATOM 110 C PRO A 29 20.693 11.899 -1.034 1.00 0.00 C ATOM 111 O PRO A 29 20.909 12.293 0.115 1.00 0.00 O ATOM 112 CB PRO A 29 18.605 12.423 -2.335 1.00 0.00 C ATOM 113 CG PRO A 29 17.467 12.960 -1.467 1.00 0.00 C ATOM 114 CD PRO A 29 17.705 12.366 -0.086 1.00 0.00 C ATOM 0 HA PRO A 29 19.528 10.435 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.289 13.221 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.223 11.982 -3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.477 14.049 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.496 12.662 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.308 13.029 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.767 12.200 0.444 1.00 0.00 H new ATOM 122 N LYS A 30 21.612 11.958 -2.005 1.00 0.00 N ATOM 123 CA LYS A 30 22.901 12.664 -1.899 1.00 0.00 C ATOM 124 C LYS A 30 22.662 14.149 -2.222 1.00 0.00 C ATOM 125 O LYS A 30 21.692 14.471 -2.907 1.00 0.00 O ATOM 126 CB LYS A 30 23.915 11.980 -2.840 1.00 0.00 C ATOM 127 CG LYS A 30 25.379 12.286 -2.486 1.00 0.00 C ATOM 128 CD LYS A 30 26.332 11.612 -3.483 1.00 0.00 C ATOM 129 CE LYS A 30 27.791 11.906 -3.106 1.00 0.00 C ATOM 130 NZ LYS A 30 28.745 11.246 -4.038 1.00 0.00 N ATOM 0 H LYS A 30 21.480 11.506 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 30 23.321 12.616 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.759 10.902 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.722 12.300 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.542 13.364 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.595 11.936 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.161 10.536 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.130 11.973 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.959 12.983 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.980 11.563 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.720 11.468 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.601 10.216 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.581 11.592 -5.005 1.00 0.00 H new ATOM 144 N LEU A 31 23.542 15.053 -1.792 1.00 0.00 N ATOM 145 CA LEU A 31 23.405 16.517 -1.964 1.00 0.00 C ATOM 146 C LEU A 31 22.949 16.974 -3.375 1.00 0.00 C ATOM 147 O LEU A 31 21.964 17.712 -3.453 1.00 0.00 O ATOM 148 CB LEU A 31 24.723 17.210 -1.547 1.00 0.00 C ATOM 149 CG LEU A 31 24.856 17.514 -0.040 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.857 16.265 0.844 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.162 18.268 0.213 1.00 0.00 C ATOM 0 H LEU A 31 24.396 14.790 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 31 22.590 16.825 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.558 16.579 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.814 18.145 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 31 23.981 18.106 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.954 16.559 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.923 15.720 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.695 15.625 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.257 18.484 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 31 27.004 17.656 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.157 19.203 -0.347 1.00 0.00 H new ATOM 163 N PRO A 32 23.566 16.529 -4.495 1.00 0.00 N ATOM 164 CA PRO A 32 23.142 16.944 -5.839 1.00 0.00 C ATOM 165 C PRO A 32 21.767 16.405 -6.262 1.00 0.00 C ATOM 166 O PRO A 32 21.093 17.040 -7.069 1.00 0.00 O ATOM 167 CB PRO A 32 24.250 16.475 -6.785 1.00 0.00 C ATOM 168 CG PRO A 32 24.893 15.305 -6.049 1.00 0.00 C ATOM 169 CD PRO A 32 24.788 15.737 -4.590 1.00 0.00 C ATOM 0 HA PRO A 32 23.007 18.025 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.847 16.167 -7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.971 17.269 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.365 14.369 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.928 15.153 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.745 14.872 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.658 16.323 -4.292 1.00 0.00 H new ATOM 177 N LEU A 33 21.320 15.274 -5.705 1.00 0.00 N ATOM 178 CA LEU A 33 19.980 14.717 -5.958 1.00 0.00 C ATOM 179 C LEU A 33 18.908 15.414 -5.096 1.00 0.00 C ATOM 180 O LEU A 33 17.809 15.696 -5.571 1.00 0.00 O ATOM 181 CB LEU A 33 19.984 13.190 -5.729 1.00 0.00 C ATOM 182 CG LEU A 33 20.563 12.341 -6.880 1.00 0.00 C ATOM 183 CD1 LEU A 33 22.058 12.557 -7.121 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.353 10.859 -6.569 1.00 0.00 C ATOM 0 H LEU A 33 21.879 14.714 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 33 19.723 14.905 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.554 12.979 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.960 12.867 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 33 20.035 12.657 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.389 11.925 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 33 22.239 13.603 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.613 12.298 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.761 10.256 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.861 10.607 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.287 10.656 -6.467 1.00 0.00 H new ATOM 196 N LEU A 34 19.242 15.751 -3.844 1.00 0.00 N ATOM 197 CA LEU A 34 18.375 16.480 -2.904 1.00 0.00 C ATOM 198 C LEU A 34 18.060 17.888 -3.402 1.00 0.00 C ATOM 199 O LEU A 34 16.902 18.293 -3.333 1.00 0.00 O ATOM 200 CB LEU A 34 19.092 16.472 -1.527 1.00 0.00 C ATOM 201 CG LEU A 34 18.406 17.195 -0.343 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.885 16.586 0.975 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.729 18.691 -0.284 1.00 0.00 C ATOM 0 H LEU A 34 20.150 15.518 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 34 17.403 15.994 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.247 15.433 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.078 16.916 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 34 17.333 17.072 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.401 17.096 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.630 15.527 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.966 16.701 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.218 19.140 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.805 18.827 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.394 19.172 -1.203 1.00 0.00 H new ATOM 215 N LYS A 35 19.037 18.627 -3.944 1.00 0.00 N ATOM 216 CA LYS A 35 18.822 20.037 -4.332 1.00 0.00 C ATOM 217 C LYS A 35 17.876 20.235 -5.524 1.00 0.00 C ATOM 218 O LYS A 35 17.202 21.259 -5.608 1.00 0.00 O ATOM 219 CB LYS A 35 20.124 20.807 -4.392 1.00 0.00 C ATOM 220 CG LYS A 35 21.099 20.416 -5.499 1.00 0.00 C ATOM 221 CD LYS A 35 22.434 20.966 -5.008 1.00 0.00 C ATOM 222 CE LYS A 35 23.518 20.948 -6.097 1.00 0.00 C ATOM 223 NZ LYS A 35 24.793 21.546 -5.612 1.00 0.00 N ATOM 0 H LYS A 35 19.979 18.280 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 35 18.254 20.498 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.889 21.866 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.632 20.692 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.137 19.336 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.814 20.851 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.294 21.988 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.772 20.379 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.696 19.921 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.167 21.498 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.502 21.517 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.628 22.533 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.141 21.006 -4.794 1.00 0.00 H new ATOM 237 N ILE A 36 17.726 19.205 -6.362 1.00 0.00 N ATOM 238 CA ILE A 36 16.708 19.127 -7.428 1.00 0.00 C ATOM 239 C ILE A 36 15.310 19.163 -6.799 1.00 0.00 C ATOM 240 O ILE A 36 14.498 20.022 -7.124 1.00 0.00 O ATOM 241 CB ILE A 36 16.901 17.841 -8.268 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.305 17.810 -8.908 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.834 17.702 -9.370 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.685 16.418 -9.420 1.00 0.00 C ATOM 0 H ILE A 36 18.322 18.378 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 36 16.818 19.981 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 36 16.793 17.000 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.340 18.520 -9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.042 18.138 -8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.010 16.785 -9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.844 17.664 -8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.892 18.558 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.681 16.452 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.679 15.711 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.966 16.099 -10.174 1.00 0.00 H new ATOM 256 N LEU A 37 15.043 18.284 -5.830 1.00 0.00 N ATOM 257 CA LEU A 37 13.753 18.240 -5.134 1.00 0.00 C ATOM 258 C LEU A 37 13.560 19.456 -4.206 1.00 0.00 C ATOM 259 O LEU A 37 12.451 19.972 -4.081 1.00 0.00 O ATOM 260 CB LEU A 37 13.576 16.826 -4.523 1.00 0.00 C ATOM 261 CG LEU A 37 13.152 15.841 -5.643 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.463 14.391 -5.301 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.653 15.923 -5.948 1.00 0.00 C ATOM 0 H LEU A 37 15.711 17.585 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 37 12.913 18.362 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.507 16.495 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.822 16.848 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 37 13.734 16.148 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.144 13.747 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.536 14.276 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.932 14.110 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.403 15.215 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.085 15.679 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.402 16.933 -6.273 1.00 0.00 H new ATOM 275 N HIS A 38 14.639 20.009 -3.646 1.00 0.00 N ATOM 276 CA HIS A 38 14.627 21.283 -2.908 1.00 0.00 C ATOM 277 C HIS A 38 14.251 22.490 -3.785 1.00 0.00 C ATOM 278 O HIS A 38 13.553 23.384 -3.304 1.00 0.00 O ATOM 279 CB HIS A 38 15.987 21.492 -2.217 1.00 0.00 C ATOM 280 CG HIS A 38 15.876 21.713 -0.734 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.319 22.836 -0.029 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.344 20.814 0.142 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.031 22.590 1.262 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.445 21.385 1.393 1.00 0.00 N ATOM 0 H HIS A 38 15.563 19.580 -3.691 1.00 0.00 H new ATOM 0 HA HIS A 38 13.843 21.216 -2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.617 20.622 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.487 22.349 -2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.926 19.847 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.241 23.265 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.130 20.966 2.268 1.00 0.00 H new ATOM 292 N ALA A 39 14.598 22.489 -5.082 1.00 0.00 N ATOM 293 CA ALA A 39 14.118 23.497 -6.041 1.00 0.00 C ATOM 294 C ALA A 39 12.578 23.512 -6.180 1.00 0.00 C ATOM 295 O ALA A 39 11.999 24.536 -6.552 1.00 0.00 O ATOM 296 CB ALA A 39 14.776 23.277 -7.414 1.00 0.00 C ATOM 0 H ALA A 39 15.217 21.792 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 39 14.406 24.472 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.414 24.028 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.858 23.363 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.523 22.283 -7.784 1.00 0.00 H new ATOM 302 N ALA A 40 11.917 22.398 -5.838 1.00 0.00 N ATOM 303 CA ALA A 40 10.463 22.248 -5.759 1.00 0.00 C ATOM 304 C ALA A 40 9.926 22.207 -4.309 1.00 0.00 C ATOM 305 O ALA A 40 8.852 21.655 -4.057 1.00 0.00 O ATOM 306 CB ALA A 40 10.065 21.030 -6.596 1.00 0.00 C ATOM 0 H ALA A 40 12.408 21.537 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 40 9.987 23.136 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.984 20.897 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.371 21.184 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.556 20.141 -6.201 1.00 0.00 H new ATOM 312 N GLY A 41 10.666 22.770 -3.344 1.00 0.00 N ATOM 313 CA GLY A 41 10.218 22.958 -1.956 1.00 0.00 C ATOM 314 C GLY A 41 10.165 21.687 -1.095 1.00 0.00 C ATOM 315 O GLY A 41 9.519 21.693 -0.044 1.00 0.00 O ATOM 0 H GLY A 41 11.612 23.115 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.883 23.674 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.224 23.406 -1.972 1.00 0.00 H new ATOM 319 N ALA A 42 10.807 20.597 -1.530 1.00 0.00 N ATOM 320 CA ALA A 42 10.820 19.314 -0.834 1.00 0.00 C ATOM 321 C ALA A 42 11.837 19.264 0.333 1.00 0.00 C ATOM 322 O ALA A 42 12.376 20.278 0.776 1.00 0.00 O ATOM 323 CB ALA A 42 11.154 18.244 -1.883 1.00 0.00 C ATOM 0 H ALA A 42 11.344 20.587 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 42 9.845 19.145 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.175 17.263 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.395 18.252 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.129 18.456 -2.321 1.00 0.00 H new ATOM 329 N GLN A 43 12.142 18.040 0.780 1.00 0.00 N ATOM 330 CA GLN A 43 13.230 17.679 1.710 1.00 0.00 C ATOM 331 C GLN A 43 14.017 16.473 1.153 1.00 0.00 C ATOM 332 O GLN A 43 14.219 15.452 1.812 1.00 0.00 O ATOM 333 CB GLN A 43 12.688 17.457 3.136 1.00 0.00 C ATOM 334 CG GLN A 43 12.038 18.710 3.745 1.00 0.00 C ATOM 335 CD GLN A 43 11.612 18.478 5.194 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.298 18.844 6.141 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.475 17.854 5.433 1.00 0.00 N ATOM 0 H GLN A 43 11.606 17.223 0.487 1.00 0.00 H new ATOM 0 HA GLN A 43 13.934 18.507 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.956 16.650 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.505 17.131 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.740 19.542 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.169 18.994 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.891 17.542 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.179 17.683 6.394 1.00 0.00 H new ATOM 346 N GLY A 44 14.404 16.571 -0.124 1.00 0.00 N ATOM 347 CA GLY A 44 15.078 15.512 -0.874 1.00 0.00 C ATOM 348 C GLY A 44 14.132 14.387 -1.285 1.00 0.00 C ATOM 349 O GLY A 44 13.223 14.601 -2.073 1.00 0.00 O ATOM 0 H GLY A 44 14.251 17.414 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.537 15.939 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.884 15.100 -0.267 1.00 0.00 H new ATOM 353 N GLU A 45 14.368 13.186 -0.757 1.00 0.00 N ATOM 354 CA GLU A 45 13.574 11.962 -0.987 1.00 0.00 C ATOM 355 C GLU A 45 13.346 11.192 0.323 1.00 0.00 C ATOM 356 O GLU A 45 13.052 10.003 0.297 1.00 0.00 O ATOM 357 CB GLU A 45 14.218 11.045 -2.050 1.00 0.00 C ATOM 358 CG GLU A 45 14.293 11.648 -3.452 1.00 0.00 C ATOM 359 CD GLU A 45 14.874 10.622 -4.444 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.120 10.522 -4.554 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.087 9.908 -5.110 1.00 0.00 O ATOM 0 H GLU A 45 15.153 13.024 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 45 12.605 12.282 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.226 10.788 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.652 10.115 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.299 11.956 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.915 12.543 -3.438 1.00 0.00 H new ATOM 368 N MET A 46 13.543 11.850 1.473 1.00 0.00 N ATOM 369 CA MET A 46 13.533 11.264 2.829 1.00 0.00 C ATOM 370 C MET A 46 12.118 10.918 3.339 1.00 0.00 C ATOM 371 O MET A 46 11.680 11.337 4.413 1.00 0.00 O ATOM 372 CB MET A 46 14.397 12.138 3.733 1.00 0.00 C ATOM 373 CG MET A 46 14.700 11.543 5.116 1.00 0.00 C ATOM 374 SD MET A 46 15.682 12.639 6.177 1.00 0.00 S ATOM 375 CE MET A 46 15.860 11.568 7.631 1.00 0.00 C ATOM 0 H MET A 46 13.723 12.854 1.489 1.00 0.00 H new ATOM 0 HA MET A 46 13.989 10.274 2.822 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.341 12.338 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.899 13.098 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.760 11.312 5.617 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.233 10.601 4.988 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.443 12.084 8.394 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.874 11.327 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.370 10.648 7.345 1.00 0.00 H new ATOM 385 N PHE A 47 11.381 10.192 2.498 1.00 0.00 N ATOM 386 CA PHE A 47 9.942 9.906 2.613 1.00 0.00 C ATOM 387 C PHE A 47 9.447 8.899 1.547 1.00 0.00 C ATOM 388 O PHE A 47 10.176 8.518 0.630 1.00 0.00 O ATOM 389 CB PHE A 47 9.155 11.232 2.538 1.00 0.00 C ATOM 390 CG PHE A 47 9.704 12.257 1.563 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.618 12.033 0.179 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.356 13.409 2.045 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.138 12.981 -0.716 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.895 14.342 1.143 1.00 0.00 C ATOM 395 CZ PHE A 47 10.762 14.139 -0.235 1.00 0.00 C ATOM 0 H PHE A 47 11.791 9.761 1.669 1.00 0.00 H new ATOM 0 HA PHE A 47 9.767 9.430 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.124 11.009 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.130 11.678 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.153 11.133 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.442 13.575 3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.057 12.817 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.412 15.215 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.141 14.876 -0.928 1.00 0.00 H new ATOM 405 N THR A 48 8.200 8.442 1.696 1.00 0.00 N ATOM 406 CA THR A 48 7.542 7.364 0.924 1.00 0.00 C ATOM 407 C THR A 48 7.343 7.705 -0.564 1.00 0.00 C ATOM 408 O THR A 48 7.384 8.866 -0.975 1.00 0.00 O ATOM 409 CB THR A 48 6.169 7.029 1.570 1.00 0.00 C ATOM 410 OG1 THR A 48 6.193 7.301 2.961 1.00 0.00 O ATOM 411 CG2 THR A 48 5.704 5.575 1.440 1.00 0.00 C ATOM 0 H THR A 48 7.577 8.835 2.402 1.00 0.00 H new ATOM 0 HA THR A 48 8.209 6.502 0.958 1.00 0.00 H new ATOM 0 HB THR A 48 5.476 7.658 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.867 8.211 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.736 5.458 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.614 5.315 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.431 4.917 1.915 1.00 0.00 H new ATOM 419 N VAL A 49 7.032 6.681 -1.370 1.00 0.00 N ATOM 420 CA VAL A 49 6.811 6.745 -2.838 1.00 0.00 C ATOM 421 C VAL A 49 5.798 7.836 -3.222 1.00 0.00 C ATOM 422 O VAL A 49 6.035 8.656 -4.113 1.00 0.00 O ATOM 423 CB VAL A 49 6.342 5.366 -3.365 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.066 5.366 -4.871 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.389 4.283 -3.074 1.00 0.00 C ATOM 0 H VAL A 49 6.920 5.734 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 49 7.761 7.007 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 49 5.411 5.153 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.741 4.373 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.284 6.091 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.976 5.634 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.036 3.324 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.328 4.544 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.548 4.211 -1.998 1.00 0.00 H new ATOM 435 N LYS A 50 4.691 7.900 -2.475 1.00 0.00 N ATOM 436 CA LYS A 50 3.624 8.890 -2.689 1.00 0.00 C ATOM 437 C LYS A 50 4.061 10.334 -2.434 1.00 0.00 C ATOM 438 O LYS A 50 3.565 11.244 -3.093 1.00 0.00 O ATOM 439 CB LYS A 50 2.363 8.502 -1.893 1.00 0.00 C ATOM 440 CG LYS A 50 2.592 8.446 -0.372 1.00 0.00 C ATOM 441 CD LYS A 50 1.314 8.069 0.387 1.00 0.00 C ATOM 442 CE LYS A 50 1.629 7.952 1.885 1.00 0.00 C ATOM 443 NZ LYS A 50 0.406 7.656 2.682 1.00 0.00 N ATOM 0 H LYS A 50 4.507 7.264 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 50 3.377 8.866 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.572 9.221 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.011 7.529 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.374 7.720 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.949 9.415 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.544 8.823 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.920 7.125 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.366 7.164 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.077 8.881 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.657 7.584 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.287 8.421 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.007 6.756 2.363 1.00 0.00 H new ATOM 457 N GLU A 51 5.014 10.545 -1.525 1.00 0.00 N ATOM 458 CA GLU A 51 5.576 11.868 -1.249 1.00 0.00 C ATOM 459 C GLU A 51 6.632 12.250 -2.296 1.00 0.00 C ATOM 460 O GLU A 51 6.544 13.343 -2.850 1.00 0.00 O ATOM 461 CB GLU A 51 6.139 11.922 0.180 1.00 0.00 C ATOM 462 CG GLU A 51 5.108 11.651 1.285 1.00 0.00 C ATOM 463 CD GLU A 51 3.966 12.687 1.293 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.131 13.773 1.901 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.887 12.417 0.713 1.00 0.00 O ATOM 0 H GLU A 51 5.419 9.801 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 51 4.778 12.607 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.945 11.193 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.580 12.905 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.689 10.654 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.608 11.658 2.254 1.00 0.00 H new ATOM 472 N VAL A 52 7.566 11.356 -2.669 1.00 0.00 N ATOM 473 CA VAL A 52 8.542 11.665 -3.746 1.00 0.00 C ATOM 474 C VAL A 52 7.866 12.026 -5.057 1.00 0.00 C ATOM 475 O VAL A 52 8.221 13.020 -5.688 1.00 0.00 O ATOM 476 CB VAL A 52 9.569 10.551 -4.023 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.599 10.374 -2.909 1.00 0.00 C ATOM 478 CG2 VAL A 52 8.992 9.165 -4.258 1.00 0.00 C ATOM 0 H VAL A 52 7.670 10.430 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 52 9.082 12.525 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 52 10.022 10.922 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.288 9.572 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.155 11.302 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.089 10.121 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.803 8.460 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.431 8.850 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.328 9.189 -5.122 1.00 0.00 H new ATOM 488 N MET A 53 6.855 11.255 -5.444 1.00 0.00 N ATOM 489 CA MET A 53 6.129 11.513 -6.697 1.00 0.00 C ATOM 490 C MET A 53 5.263 12.789 -6.644 1.00 0.00 C ATOM 491 O MET A 53 5.027 13.408 -7.679 1.00 0.00 O ATOM 492 CB MET A 53 5.353 10.272 -7.156 1.00 0.00 C ATOM 493 CG MET A 53 4.038 10.052 -6.405 1.00 0.00 C ATOM 494 SD MET A 53 3.190 8.499 -6.804 1.00 0.00 S ATOM 495 CE MET A 53 2.911 8.732 -8.582 1.00 0.00 C ATOM 0 H MET A 53 6.516 10.450 -4.917 1.00 0.00 H new ATOM 0 HA MET A 53 6.877 11.718 -7.463 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.141 10.361 -8.222 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.984 9.393 -7.029 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.238 10.076 -5.334 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.367 10.883 -6.623 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.217 7.973 -8.944 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.490 9.722 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.858 8.641 -9.114 1.00 0.00 H new ATOM 505 N HIS A 54 4.854 13.228 -5.448 1.00 0.00 N ATOM 506 CA HIS A 54 4.193 14.518 -5.201 1.00 0.00 C ATOM 507 C HIS A 54 5.156 15.691 -5.466 1.00 0.00 C ATOM 508 O HIS A 54 4.904 16.510 -6.355 1.00 0.00 O ATOM 509 CB HIS A 54 3.613 14.510 -3.770 1.00 0.00 C ATOM 510 CG HIS A 54 3.655 15.837 -3.059 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.945 16.982 -3.424 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.502 16.142 -2.033 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.389 17.953 -2.608 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.315 17.476 -1.759 1.00 0.00 N ATOM 0 H HIS A 54 4.977 12.679 -4.597 1.00 0.00 H new ATOM 0 HA HIS A 54 3.365 14.661 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.578 14.172 -3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.161 13.779 -3.176 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.184 15.469 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.048 18.977 -2.631 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.796 18.011 -1.036 1.00 0.00 H new ATOM 522 N TYR A 55 6.302 15.728 -4.774 1.00 0.00 N ATOM 523 CA TYR A 55 7.368 16.708 -5.004 1.00 0.00 C ATOM 524 C TYR A 55 7.883 16.713 -6.456 1.00 0.00 C ATOM 525 O TYR A 55 8.152 17.781 -7.002 1.00 0.00 O ATOM 526 CB TYR A 55 8.525 16.450 -4.033 1.00 0.00 C ATOM 527 CG TYR A 55 8.171 16.618 -2.567 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.814 17.880 -2.058 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.228 15.513 -1.703 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.483 18.035 -0.698 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.907 15.660 -0.339 1.00 0.00 C ATOM 532 CZ TYR A 55 7.532 16.921 0.169 1.00 0.00 C ATOM 533 OH TYR A 55 7.239 17.060 1.493 1.00 0.00 O ATOM 0 H TYR A 55 6.517 15.067 -4.027 1.00 0.00 H new ATOM 0 HA TYR A 55 6.939 17.694 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.894 15.436 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.343 17.128 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.794 18.737 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.519 14.546 -2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.192 19.004 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.948 14.805 0.319 1.00 0.00 H new ATOM 0 HH TYR A 55 7.322 16.192 1.939 1.00 0.00 H new ATOM 543 N LEU A 56 7.972 15.550 -7.113 1.00 0.00 N ATOM 544 CA LEU A 56 8.386 15.441 -8.518 1.00 0.00 C ATOM 545 C LEU A 56 7.296 15.966 -9.478 1.00 0.00 C ATOM 546 O LEU A 56 7.611 16.718 -10.399 1.00 0.00 O ATOM 547 CB LEU A 56 8.835 13.987 -8.773 1.00 0.00 C ATOM 548 CG LEU A 56 9.767 13.769 -9.982 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.470 12.418 -9.835 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.023 13.753 -11.314 1.00 0.00 C ATOM 0 H LEU A 56 7.757 14.651 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 56 9.239 16.087 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.341 13.622 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.946 13.372 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 56 10.469 14.603 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.131 12.257 -10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.055 12.410 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.726 11.623 -9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.733 13.596 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.290 12.946 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.513 14.706 -11.457 1.00 0.00 H new ATOM 562 N GLY A 57 6.012 15.689 -9.226 1.00 0.00 N ATOM 563 CA GLY A 57 4.894 16.275 -9.981 1.00 0.00 C ATOM 564 C GLY A 57 4.876 17.810 -9.923 1.00 0.00 C ATOM 565 O GLY A 57 4.844 18.481 -10.961 1.00 0.00 O ATOM 0 H GLY A 57 5.715 15.049 -8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.957 15.956 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.954 15.890 -9.586 1.00 0.00 H new ATOM 569 N GLN A 58 5.026 18.391 -8.725 1.00 0.00 N ATOM 570 CA GLN A 58 5.121 19.849 -8.586 1.00 0.00 C ATOM 571 C GLN A 58 6.438 20.414 -9.151 1.00 0.00 C ATOM 572 O GLN A 58 6.417 21.506 -9.712 1.00 0.00 O ATOM 573 CB GLN A 58 4.749 20.326 -7.170 1.00 0.00 C ATOM 574 CG GLN A 58 5.836 20.137 -6.104 1.00 0.00 C ATOM 575 CD GLN A 58 5.356 20.421 -4.676 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.177 20.573 -4.383 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.255 20.494 -3.716 1.00 0.00 N ATOM 0 H GLN A 58 5.084 17.878 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 58 4.356 20.291 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.491 21.384 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.853 19.794 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.209 19.114 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.675 20.794 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.244 20.371 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.962 20.673 -2.756 1.00 0.00 H new ATOM 586 N TYR A 59 7.559 19.675 -9.106 1.00 0.00 N ATOM 587 CA TYR A 59 8.790 20.053 -9.821 1.00 0.00 C ATOM 588 C TYR A 59 8.525 20.211 -11.322 1.00 0.00 C ATOM 589 O TYR A 59 8.835 21.263 -11.876 1.00 0.00 O ATOM 590 CB TYR A 59 9.920 19.035 -9.577 1.00 0.00 C ATOM 591 CG TYR A 59 11.241 19.369 -10.254 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.434 19.086 -11.623 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.296 19.932 -9.510 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.676 19.336 -12.238 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.532 20.197 -10.127 1.00 0.00 C ATOM 596 CZ TYR A 59 13.736 19.870 -11.479 1.00 0.00 C ATOM 597 OH TYR A 59 14.960 20.079 -12.025 1.00 0.00 O ATOM 0 H TYR A 59 7.638 18.806 -8.578 1.00 0.00 H new ATOM 0 HA TYR A 59 9.115 21.015 -9.425 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.089 18.953 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.588 18.056 -9.923 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.622 18.674 -12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.156 20.161 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.815 19.119 -13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.329 20.654 -9.559 1.00 0.00 H new ATOM 0 HH TYR A 59 14.891 20.053 -13.002 1.00 0.00 H new ATOM 607 N ILE A 60 7.892 19.223 -11.972 1.00 0.00 N ATOM 608 CA ILE A 60 7.522 19.304 -13.398 1.00 0.00 C ATOM 609 C ILE A 60 6.620 20.520 -13.644 1.00 0.00 C ATOM 610 O ILE A 60 6.838 21.260 -14.601 1.00 0.00 O ATOM 611 CB ILE A 60 6.810 18.016 -13.871 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.692 16.756 -13.752 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.347 18.163 -15.336 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.826 15.490 -13.662 1.00 0.00 C ATOM 0 H ILE A 60 7.621 18.346 -11.527 1.00 0.00 H new ATOM 0 HA ILE A 60 8.441 19.414 -13.974 1.00 0.00 H new ATOM 0 HB ILE A 60 5.954 17.885 -13.209 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.355 16.688 -14.615 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.326 16.832 -12.868 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.848 17.248 -15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.654 19.001 -15.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.212 18.345 -15.974 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.469 14.614 -13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.182 15.552 -12.785 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.212 15.405 -14.558 1.00 0.00 H new ATOM 626 N MET A 61 5.635 20.760 -12.774 1.00 0.00 N ATOM 627 CA MET A 61 4.716 21.896 -12.917 1.00 0.00 C ATOM 628 C MET A 61 5.409 23.269 -12.750 1.00 0.00 C ATOM 629 O MET A 61 5.058 24.220 -13.448 1.00 0.00 O ATOM 630 CB MET A 61 3.545 21.690 -11.946 1.00 0.00 C ATOM 631 CG MET A 61 2.403 22.700 -12.127 1.00 0.00 C ATOM 632 SD MET A 61 1.739 22.925 -13.808 1.00 0.00 S ATOM 633 CE MET A 61 1.235 21.238 -14.246 1.00 0.00 C ATOM 0 H MET A 61 5.452 20.178 -11.956 1.00 0.00 H new ATOM 0 HA MET A 61 4.337 21.921 -13.939 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.150 20.682 -12.077 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.917 21.756 -10.924 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.581 22.398 -11.478 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.751 23.669 -11.770 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.460 21.277 -15.012 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.096 20.689 -14.628 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.846 20.733 -13.362 1.00 0.00 H new ATOM 643 N VAL A 62 6.442 23.372 -11.902 1.00 0.00 N ATOM 644 CA VAL A 62 7.282 24.581 -11.750 1.00 0.00 C ATOM 645 C VAL A 62 8.225 24.765 -12.946 1.00 0.00 C ATOM 646 O VAL A 62 8.228 25.831 -13.569 1.00 0.00 O ATOM 647 CB VAL A 62 8.042 24.557 -10.412 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.121 25.642 -10.292 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.074 24.748 -9.238 1.00 0.00 C ATOM 0 H VAL A 62 6.727 22.608 -11.290 1.00 0.00 H new ATOM 0 HA VAL A 62 6.623 25.449 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 62 8.528 23.582 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.612 25.561 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.858 25.511 -11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.660 26.625 -10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.630 24.728 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.566 25.707 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.337 23.945 -9.240 1.00 0.00 H new ATOM 659 N LYS A 63 8.978 23.716 -13.317 1.00 0.00 N ATOM 660 CA LYS A 63 9.875 23.706 -14.494 1.00 0.00 C ATOM 661 C LYS A 63 9.121 23.797 -15.830 1.00 0.00 C ATOM 662 O LYS A 63 9.734 24.123 -16.845 1.00 0.00 O ATOM 663 CB LYS A 63 10.794 22.458 -14.463 1.00 0.00 C ATOM 664 CG LYS A 63 12.282 22.796 -14.283 1.00 0.00 C ATOM 665 CD LYS A 63 12.613 23.336 -12.881 1.00 0.00 C ATOM 666 CE LYS A 63 14.056 23.862 -12.785 1.00 0.00 C ATOM 667 NZ LYS A 63 15.083 22.788 -12.888 1.00 0.00 N ATOM 0 H LYS A 63 8.984 22.835 -12.802 1.00 0.00 H new ATOM 0 HA LYS A 63 10.488 24.605 -14.428 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.477 21.804 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.666 21.899 -15.390 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.877 21.902 -14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.573 23.536 -15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.919 24.138 -12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.467 22.545 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.223 24.592 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.182 24.386 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.981 23.127 -12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.764 21.951 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.222 22.535 -13.887 1.00 0.00 H new ATOM 681 N GLN A 64 7.805 23.547 -15.817 1.00 0.00 N ATOM 682 CA GLN A 64 6.843 23.666 -16.923 1.00 0.00 C ATOM 683 C GLN A 64 7.346 23.060 -18.246 1.00 0.00 C ATOM 684 O GLN A 64 7.213 23.637 -19.327 1.00 0.00 O ATOM 685 CB GLN A 64 6.234 25.080 -16.980 1.00 0.00 C ATOM 686 CG GLN A 64 7.221 26.228 -17.247 1.00 0.00 C ATOM 687 CD GLN A 64 6.654 27.569 -16.789 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.093 28.342 -17.558 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.773 27.892 -15.515 1.00 0.00 N ATOM 0 H GLN A 64 7.347 23.230 -14.962 1.00 0.00 H new ATOM 0 HA GLN A 64 5.990 23.020 -16.713 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.471 25.095 -17.759 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.728 25.275 -16.034 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.159 26.031 -16.727 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.450 26.273 -18.312 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.238 27.255 -14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.400 28.779 -15.177 1.00 0.00 H new ATOM 698 N LEU A 65 7.953 21.871 -18.124 1.00 0.00 N ATOM 699 CA LEU A 65 8.694 21.175 -19.184 1.00 0.00 C ATOM 700 C LEU A 65 7.827 20.142 -19.949 1.00 0.00 C ATOM 701 O LEU A 65 8.324 19.356 -20.755 1.00 0.00 O ATOM 702 CB LEU A 65 9.977 20.570 -18.559 1.00 0.00 C ATOM 703 CG LEU A 65 11.317 20.886 -19.258 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.344 20.548 -20.747 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.702 22.357 -19.096 1.00 0.00 C ATOM 0 H LEU A 65 7.940 21.347 -17.249 1.00 0.00 H new ATOM 0 HA LEU A 65 8.983 21.888 -19.957 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.045 20.914 -17.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.859 19.487 -18.527 1.00 0.00 H new ATOM 0 HG LEU A 65 12.038 20.240 -18.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.321 20.801 -21.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.158 19.482 -20.882 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.573 21.119 -21.264 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.650 22.543 -19.601 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.928 22.986 -19.535 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.803 22.592 -18.036 1.00 0.00 H new ATOM 717 N TYR A 66 6.518 20.126 -19.693 1.00 0.00 N ATOM 718 CA TYR A 66 5.528 19.357 -20.454 1.00 0.00 C ATOM 719 C TYR A 66 5.234 19.984 -21.830 1.00 0.00 C ATOM 720 O TYR A 66 5.544 21.156 -22.072 1.00 0.00 O ATOM 721 CB TYR A 66 4.258 19.196 -19.607 1.00 0.00 C ATOM 722 CG TYR A 66 3.718 20.501 -19.049 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.021 21.393 -19.884 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.972 20.847 -17.708 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.583 22.636 -19.389 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.521 22.081 -17.202 1.00 0.00 C ATOM 727 CZ TYR A 66 2.831 22.983 -18.042 1.00 0.00 C ATOM 728 OH TYR A 66 2.422 24.185 -17.549 1.00 0.00 O ATOM 0 H TYR A 66 6.104 20.662 -18.930 1.00 0.00 H new ATOM 0 HA TYR A 66 5.938 18.370 -20.666 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.485 18.725 -20.215 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.469 18.519 -18.780 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.821 21.123 -20.910 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.513 20.166 -17.068 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.059 23.323 -20.037 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.703 22.339 -16.169 1.00 0.00 H new ATOM 0 HH TYR A 66 2.675 24.255 -16.605 1.00 0.00 H new ATOM 738 N ASP A 67 4.633 19.219 -22.747 1.00 0.00 N ATOM 739 CA ASP A 67 4.298 19.733 -24.081 1.00 0.00 C ATOM 740 C ASP A 67 3.090 20.685 -24.082 1.00 0.00 C ATOM 741 O ASP A 67 2.132 20.513 -23.326 1.00 0.00 O ATOM 742 CB ASP A 67 4.060 18.605 -25.092 1.00 0.00 C ATOM 743 CG ASP A 67 4.018 19.168 -26.521 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.931 19.944 -26.893 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.029 18.918 -27.243 1.00 0.00 O ATOM 0 H ASP A 67 4.369 18.246 -22.592 1.00 0.00 H new ATOM 0 HA ASP A 67 5.173 20.306 -24.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.853 17.861 -25.010 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.122 18.097 -24.866 1.00 0.00 H new ATOM 750 N GLN A 68 3.106 21.664 -24.991 1.00 0.00 N ATOM 751 CA GLN A 68 2.019 22.632 -25.166 1.00 0.00 C ATOM 752 C GLN A 68 0.703 21.998 -25.648 1.00 0.00 C ATOM 753 O GLN A 68 -0.360 22.281 -25.087 1.00 0.00 O ATOM 754 CB GLN A 68 2.425 23.793 -26.096 1.00 0.00 C ATOM 755 CG GLN A 68 3.657 23.682 -27.024 1.00 0.00 C ATOM 756 CD GLN A 68 3.356 23.033 -28.374 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.690 23.609 -29.225 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.799 21.825 -28.641 1.00 0.00 N ATOM 0 H GLN A 68 3.884 21.809 -25.634 1.00 0.00 H new ATOM 0 HA GLN A 68 1.832 23.032 -24.169 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.566 24.007 -26.732 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.580 24.668 -25.464 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.064 24.679 -27.193 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.430 23.104 -26.518 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.356 21.322 -27.950 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.586 21.390 -29.539 1.00 0.00 H new ATOM 767 N GLN A 69 0.764 21.139 -26.672 1.00 0.00 N ATOM 768 CA GLN A 69 -0.409 20.422 -27.187 1.00 0.00 C ATOM 769 C GLN A 69 -0.832 19.242 -26.297 1.00 0.00 C ATOM 770 O GLN A 69 -1.983 18.805 -26.378 1.00 0.00 O ATOM 771 CB GLN A 69 -0.171 19.947 -28.632 1.00 0.00 C ATOM 772 CG GLN A 69 0.221 21.052 -29.629 1.00 0.00 C ATOM 773 CD GLN A 69 -0.708 22.269 -29.618 1.00 0.00 C ATOM 774 OE1 GLN A 69 -1.929 22.166 -29.641 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.168 23.470 -29.583 1.00 0.00 N ATOM 0 H GLN A 69 1.628 20.921 -27.168 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.233 21.136 -27.176 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.615 19.191 -28.624 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.078 19.460 -28.992 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.236 21.382 -29.407 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.236 20.630 -30.634 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.847 23.573 -29.563 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.765 24.297 -29.575 1.00 0.00 H new ATOM 784 N GLU A 70 0.061 18.731 -25.440 1.00 0.00 N ATOM 785 CA GLU A 70 -0.250 17.604 -24.545 1.00 0.00 C ATOM 786 C GLU A 70 0.529 17.646 -23.221 1.00 0.00 C ATOM 787 O GLU A 70 1.624 17.101 -23.081 1.00 0.00 O ATOM 788 CB GLU A 70 -0.110 16.241 -25.257 1.00 0.00 C ATOM 789 CG GLU A 70 1.016 16.136 -26.298 1.00 0.00 C ATOM 790 CD GLU A 70 1.072 14.731 -26.933 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.098 14.326 -27.618 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.105 14.030 -26.799 1.00 0.00 O ATOM 0 H GLU A 70 1.014 19.083 -25.346 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.300 17.721 -24.276 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.049 15.473 -24.500 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.055 16.012 -25.749 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.863 16.882 -27.077 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.972 16.361 -25.825 1.00 0.00 H new ATOM 799 N GLN A 71 -0.113 18.216 -22.198 1.00 0.00 N ATOM 800 CA GLN A 71 0.378 18.276 -20.816 1.00 0.00 C ATOM 801 C GLN A 71 0.634 16.880 -20.209 1.00 0.00 C ATOM 802 O GLN A 71 1.366 16.758 -19.225 1.00 0.00 O ATOM 803 CB GLN A 71 -0.643 19.040 -19.949 1.00 0.00 C ATOM 804 CG GLN A 71 -0.714 20.557 -20.221 1.00 0.00 C ATOM 805 CD GLN A 71 -1.240 20.955 -21.606 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.070 20.289 -22.215 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.774 22.052 -22.164 1.00 0.00 N ATOM 0 H GLN A 71 -1.022 18.665 -22.312 1.00 0.00 H new ATOM 0 HA GLN A 71 1.336 18.795 -20.832 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.631 18.609 -20.111 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.396 18.884 -18.899 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.351 21.015 -19.464 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.283 20.978 -20.095 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.083 22.620 -21.674 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.104 22.334 -23.087 1.00 0.00 H new ATOM 816 N HIS A 72 0.063 15.821 -20.805 1.00 0.00 N ATOM 817 CA HIS A 72 0.302 14.430 -20.407 1.00 0.00 C ATOM 818 C HIS A 72 1.742 13.953 -20.704 1.00 0.00 C ATOM 819 O HIS A 72 2.231 13.045 -20.024 1.00 0.00 O ATOM 820 CB HIS A 72 -0.771 13.508 -21.034 1.00 0.00 C ATOM 821 CG HIS A 72 -0.270 12.629 -22.159 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.204 13.082 -23.391 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.093 11.277 -22.091 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.674 11.998 -24.030 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.493 10.897 -23.280 1.00 0.00 N ATOM 0 H HIS A 72 -0.586 15.911 -21.587 1.00 0.00 H new ATOM 0 HA HIS A 72 0.208 14.375 -19.322 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.186 12.872 -20.252 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.587 14.126 -21.409 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.360 10.631 -21.267 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.132 12.009 -25.008 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.746 9.945 -23.545 1.00 0.00 H new ATOM 833 N MET A 73 2.415 14.569 -21.685 1.00 0.00 N ATOM 834 CA MET A 73 3.799 14.306 -22.091 1.00 0.00 C ATOM 835 C MET A 73 4.744 15.272 -21.366 1.00 0.00 C ATOM 836 O MET A 73 4.549 16.489 -21.407 1.00 0.00 O ATOM 837 CB MET A 73 3.922 14.439 -23.621 1.00 0.00 C ATOM 838 CG MET A 73 5.366 14.552 -24.138 1.00 0.00 C ATOM 839 SD MET A 73 6.511 13.218 -23.684 1.00 0.00 S ATOM 840 CE MET A 73 5.906 11.898 -24.769 1.00 0.00 C ATOM 0 H MET A 73 1.984 15.304 -22.246 1.00 0.00 H new ATOM 0 HA MET A 73 4.080 13.290 -21.815 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.449 13.574 -24.087 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.365 15.319 -23.942 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.332 14.614 -25.226 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.782 15.493 -23.778 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.504 10.999 -24.617 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.863 11.684 -24.535 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.987 12.216 -25.809 1.00 0.00 H new ATOM 850 N VAL A 74 5.790 14.736 -20.739 1.00 0.00 N ATOM 851 CA VAL A 74 6.781 15.468 -19.943 1.00 0.00 C ATOM 852 C VAL A 74 8.176 15.274 -20.545 1.00 0.00 C ATOM 853 O VAL A 74 8.734 14.176 -20.511 1.00 0.00 O ATOM 854 CB VAL A 74 6.754 15.006 -18.473 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.764 15.808 -17.643 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.364 15.195 -17.847 1.00 0.00 C ATOM 0 H VAL A 74 5.981 13.735 -20.772 1.00 0.00 H new ATOM 0 HA VAL A 74 6.532 16.529 -19.964 1.00 0.00 H new ATOM 0 HB VAL A 74 7.010 13.947 -18.467 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.733 15.470 -16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.766 15.657 -18.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.511 16.867 -17.687 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.383 14.859 -16.810 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.090 16.249 -17.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.631 14.611 -18.405 1.00 0.00 H new ATOM 866 N TYR A 75 8.758 16.350 -21.076 1.00 0.00 N ATOM 867 CA TYR A 75 10.162 16.396 -21.490 1.00 0.00 C ATOM 868 C TYR A 75 11.069 16.787 -20.306 1.00 0.00 C ATOM 869 O TYR A 75 10.603 17.275 -19.277 1.00 0.00 O ATOM 870 CB TYR A 75 10.317 17.336 -22.696 1.00 0.00 C ATOM 871 CG TYR A 75 9.693 16.749 -23.942 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.310 15.637 -24.539 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.481 17.250 -24.456 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.701 14.997 -25.629 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.885 16.630 -25.573 1.00 0.00 C ATOM 876 CZ TYR A 75 8.489 15.493 -26.158 1.00 0.00 C ATOM 877 OH TYR A 75 7.918 14.875 -27.230 1.00 0.00 O ATOM 0 H TYR A 75 8.261 17.227 -21.233 1.00 0.00 H new ATOM 0 HA TYR A 75 10.483 15.404 -21.806 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.851 18.296 -22.472 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.375 17.529 -22.874 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.254 15.275 -24.159 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.010 18.106 -23.996 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.161 14.122 -26.065 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.966 17.024 -25.982 1.00 0.00 H new ATOM 0 HH TYR A 75 7.089 15.338 -27.471 1.00 0.00 H new ATOM 887 N CYS A 76 12.378 16.576 -20.445 1.00 0.00 N ATOM 888 CA CYS A 76 13.408 16.898 -19.445 1.00 0.00 C ATOM 889 C CYS A 76 14.744 17.320 -20.086 1.00 0.00 C ATOM 890 O CYS A 76 15.810 17.134 -19.496 1.00 0.00 O ATOM 891 CB CYS A 76 13.574 15.687 -18.513 1.00 0.00 C ATOM 892 SG CYS A 76 12.436 15.826 -17.108 1.00 0.00 S ATOM 0 H CYS A 76 12.770 16.160 -21.290 1.00 0.00 H new ATOM 0 HA CYS A 76 13.083 17.763 -18.867 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.377 14.766 -19.061 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.602 15.631 -18.155 1.00 0.00 H new ATOM 0 HG CYS A 76 11.343 16.417 -17.491 1.00 0.00 H new ATOM 898 N GLY A 77 14.707 17.841 -21.317 1.00 0.00 N ATOM 899 CA GLY A 77 15.909 18.079 -22.116 1.00 0.00 C ATOM 900 C GLY A 77 16.896 19.038 -21.440 1.00 0.00 C ATOM 901 O GLY A 77 16.590 20.214 -21.228 1.00 0.00 O ATOM 0 H GLY A 77 13.842 18.109 -21.786 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.407 17.128 -22.306 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.620 18.487 -23.085 1.00 0.00 H new ATOM 905 N GLY A 78 18.075 18.520 -21.089 1.00 0.00 N ATOM 906 CA GLY A 78 19.137 19.242 -20.385 1.00 0.00 C ATOM 907 C GLY A 78 18.868 19.553 -18.903 1.00 0.00 C ATOM 908 O GLY A 78 19.622 20.339 -18.325 1.00 0.00 O ATOM 0 H GLY A 78 18.325 17.553 -21.294 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.054 18.657 -20.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.319 20.182 -20.907 1.00 0.00 H new ATOM 912 N ASP A 79 17.829 18.988 -18.268 1.00 0.00 N ATOM 913 CA ASP A 79 17.497 19.254 -16.869 1.00 0.00 C ATOM 914 C ASP A 79 18.081 18.174 -15.936 1.00 0.00 C ATOM 915 O ASP A 79 18.211 16.994 -16.292 1.00 0.00 O ATOM 916 CB ASP A 79 15.974 19.418 -16.730 1.00 0.00 C ATOM 917 CG ASP A 79 15.594 20.007 -15.367 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.382 19.214 -14.426 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.554 21.250 -15.208 1.00 0.00 O ATOM 0 H ASP A 79 17.194 18.329 -18.719 1.00 0.00 H new ATOM 0 HA ASP A 79 17.960 20.189 -16.554 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.603 20.066 -17.524 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.490 18.450 -16.857 1.00 0.00 H new ATOM 924 N LEU A 80 18.399 18.570 -14.701 1.00 0.00 N ATOM 925 CA LEU A 80 18.855 17.652 -13.656 1.00 0.00 C ATOM 926 C LEU A 80 17.840 16.533 -13.363 1.00 0.00 C ATOM 927 O LEU A 80 18.241 15.449 -12.952 1.00 0.00 O ATOM 928 CB LEU A 80 19.246 18.423 -12.390 1.00 0.00 C ATOM 929 CG LEU A 80 20.489 19.321 -12.513 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.723 20.037 -11.182 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.761 18.549 -12.864 1.00 0.00 C ATOM 0 H LEU A 80 18.347 19.542 -14.397 1.00 0.00 H new ATOM 0 HA LEU A 80 19.746 17.150 -14.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.401 19.042 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.417 17.705 -11.588 1.00 0.00 H new ATOM 0 HG LEU A 80 20.290 20.020 -13.325 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.603 20.675 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.853 20.647 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.880 19.300 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.599 19.242 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.965 17.812 -12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.627 18.042 -13.820 1.00 0.00 H new ATOM 943 N LEU A 81 16.540 16.754 -13.579 1.00 0.00 N ATOM 944 CA LEU A 81 15.536 15.687 -13.501 1.00 0.00 C ATOM 945 C LEU A 81 15.748 14.612 -14.585 1.00 0.00 C ATOM 946 O LEU A 81 15.651 13.422 -14.290 1.00 0.00 O ATOM 947 CB LEU A 81 14.137 16.320 -13.577 1.00 0.00 C ATOM 948 CG LEU A 81 12.981 15.300 -13.491 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.028 14.459 -12.210 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.626 16.004 -13.512 1.00 0.00 C ATOM 0 H LEU A 81 16.155 17.670 -13.811 1.00 0.00 H new ATOM 0 HA LEU A 81 15.640 15.166 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.032 17.042 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.050 16.874 -14.512 1.00 0.00 H new ATOM 0 HG LEU A 81 13.103 14.651 -14.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.192 13.759 -12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.966 13.904 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.960 15.114 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.830 15.262 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.556 16.683 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.524 16.570 -14.438 1.00 0.00 H new ATOM 962 N GLY A 82 16.109 15.009 -15.811 1.00 0.00 N ATOM 963 CA GLY A 82 16.507 14.083 -16.878 1.00 0.00 C ATOM 964 C GLY A 82 17.808 13.351 -16.550 1.00 0.00 C ATOM 965 O GLY A 82 17.890 12.137 -16.737 1.00 0.00 O ATOM 0 H GLY A 82 16.133 15.989 -16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.713 13.354 -17.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.628 14.635 -17.810 1.00 0.00 H new ATOM 969 N GLU A 83 18.794 14.046 -15.971 1.00 0.00 N ATOM 970 CA GLU A 83 20.016 13.449 -15.466 1.00 0.00 C ATOM 971 C GLU A 83 19.737 12.405 -14.366 1.00 0.00 C ATOM 972 O GLU A 83 20.312 11.313 -14.383 1.00 0.00 O ATOM 973 CB GLU A 83 20.886 14.607 -14.952 1.00 0.00 C ATOM 974 CG GLU A 83 22.244 14.076 -14.555 1.00 0.00 C ATOM 975 CD GLU A 83 23.215 15.187 -14.111 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.721 15.940 -14.979 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.511 15.289 -12.896 1.00 0.00 O ATOM 0 H GLU A 83 18.755 15.057 -15.842 1.00 0.00 H new ATOM 0 HA GLU A 83 20.531 12.899 -16.254 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.993 15.368 -15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.406 15.086 -14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.125 13.358 -13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.678 13.536 -15.397 1.00 0.00 H new ATOM 984 N LEU A 84 18.825 12.717 -13.437 1.00 0.00 N ATOM 985 CA LEU A 84 18.486 11.865 -12.298 1.00 0.00 C ATOM 986 C LEU A 84 17.714 10.608 -12.732 1.00 0.00 C ATOM 987 O LEU A 84 18.044 9.500 -12.305 1.00 0.00 O ATOM 988 CB LEU A 84 17.722 12.719 -11.263 1.00 0.00 C ATOM 989 CG LEU A 84 17.292 11.993 -9.969 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.121 13.009 -8.838 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.946 11.273 -10.097 1.00 0.00 C ATOM 0 H LEU A 84 18.293 13.587 -13.459 1.00 0.00 H new ATOM 0 HA LEU A 84 19.396 11.486 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.349 13.568 -10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.830 13.123 -11.742 1.00 0.00 H new ATOM 0 HG LEU A 84 18.076 11.262 -9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.818 12.492 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.066 13.524 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.357 13.736 -9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.704 10.784 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.168 11.996 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.007 10.525 -10.888 1.00 0.00 H new ATOM 1003 N LEU A 85 16.703 10.773 -13.596 1.00 0.00 N ATOM 1004 CA LEU A 85 15.903 9.670 -14.148 1.00 0.00 C ATOM 1005 C LEU A 85 16.687 8.825 -15.170 1.00 0.00 C ATOM 1006 O LEU A 85 16.380 7.645 -15.349 1.00 0.00 O ATOM 1007 CB LEU A 85 14.630 10.251 -14.800 1.00 0.00 C ATOM 1008 CG LEU A 85 13.593 10.836 -13.819 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.540 11.611 -14.608 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.857 9.749 -13.037 1.00 0.00 C ATOM 0 H LEU A 85 16.413 11.690 -13.936 1.00 0.00 H new ATOM 0 HA LEU A 85 15.639 9.002 -13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.925 11.033 -15.500 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.150 9.465 -15.384 1.00 0.00 H new ATOM 0 HG LEU A 85 14.137 11.472 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.804 12.027 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.020 12.420 -15.159 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.043 10.940 -15.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.138 10.211 -12.360 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.332 9.093 -13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.575 9.166 -12.460 1.00 0.00 H new ATOM 1022 N GLY A 86 17.671 9.418 -15.857 1.00 0.00 N ATOM 1023 CA GLY A 86 18.451 8.794 -16.935 1.00 0.00 C ATOM 1024 C GLY A 86 17.798 8.877 -18.325 1.00 0.00 C ATOM 1025 O GLY A 86 18.285 8.250 -19.269 1.00 0.00 O ATOM 0 H GLY A 86 17.957 10.379 -15.672 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.431 9.269 -16.979 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.616 7.745 -16.687 1.00 0.00 H new ATOM 1029 N ARG A 87 16.685 9.620 -18.454 1.00 0.00 N ATOM 1030 CA ARG A 87 15.925 9.839 -19.702 1.00 0.00 C ATOM 1031 C ARG A 87 15.285 11.220 -19.737 1.00 0.00 C ATOM 1032 O ARG A 87 14.884 11.753 -18.707 1.00 0.00 O ATOM 1033 CB ARG A 87 14.866 8.737 -19.975 1.00 0.00 C ATOM 1034 CG ARG A 87 13.930 8.372 -18.806 1.00 0.00 C ATOM 1035 CD ARG A 87 14.550 7.394 -17.793 1.00 0.00 C ATOM 1036 NE ARG A 87 14.208 5.980 -18.037 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.490 4.982 -17.213 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.138 5.143 -16.099 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.124 3.762 -17.461 1.00 0.00 N ATOM 0 H ARG A 87 16.271 10.106 -17.659 1.00 0.00 H new ATOM 0 HA ARG A 87 16.658 9.778 -20.507 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.251 9.057 -20.816 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.388 7.833 -20.288 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.642 9.285 -18.285 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.017 7.933 -19.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.634 7.504 -17.815 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.222 7.669 -16.791 1.00 0.00 H new ATOM 0 HE ARG A 87 13.719 5.754 -18.903 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.455 6.072 -15.823 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.329 4.340 -15.500 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.603 3.549 -18.312 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.357 3.016 -16.805 1.00 0.00 H new ATOM 1053 N GLN A 88 15.171 11.777 -20.943 1.00 0.00 N ATOM 1054 CA GLN A 88 14.701 13.149 -21.176 1.00 0.00 C ATOM 1055 C GLN A 88 13.241 13.223 -21.651 1.00 0.00 C ATOM 1056 O GLN A 88 12.774 14.299 -22.022 1.00 0.00 O ATOM 1057 CB GLN A 88 15.695 13.905 -22.073 1.00 0.00 C ATOM 1058 CG GLN A 88 17.066 13.984 -21.380 1.00 0.00 C ATOM 1059 CD GLN A 88 18.126 14.683 -22.230 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.537 15.803 -21.960 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.614 14.062 -23.284 1.00 0.00 N ATOM 0 H GLN A 88 15.406 11.281 -21.803 1.00 0.00 H new ATOM 0 HA GLN A 88 14.679 13.665 -20.216 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.791 13.398 -23.033 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.323 14.909 -22.279 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.959 14.515 -20.434 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.406 12.976 -21.143 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.283 13.128 -23.524 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.323 14.515 -23.860 1.00 0.00 H new ATOM 1070 N SER A 89 12.506 12.107 -21.609 1.00 0.00 N ATOM 1071 CA SER A 89 11.045 12.102 -21.817 1.00 0.00 C ATOM 1072 C SER A 89 10.318 10.940 -21.125 1.00 0.00 C ATOM 1073 O SER A 89 10.838 9.824 -21.030 1.00 0.00 O ATOM 1074 CB SER A 89 10.679 12.147 -23.307 1.00 0.00 C ATOM 1075 OG SER A 89 11.160 11.006 -24.006 1.00 0.00 O ATOM 0 H SER A 89 12.900 11.183 -21.431 1.00 0.00 H new ATOM 0 HA SER A 89 10.694 13.016 -21.338 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.596 12.208 -23.413 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.094 13.049 -23.756 1.00 0.00 H new ATOM 0 HG SER A 89 10.906 11.070 -24.950 1.00 0.00 H new ATOM 1081 N PHE A 90 9.108 11.218 -20.630 1.00 0.00 N ATOM 1082 CA PHE A 90 8.155 10.267 -20.038 1.00 0.00 C ATOM 1083 C PHE A 90 6.724 10.850 -20.050 1.00 0.00 C ATOM 1084 O PHE A 90 6.532 12.030 -20.345 1.00 0.00 O ATOM 1085 CB PHE A 90 8.596 9.894 -18.609 1.00 0.00 C ATOM 1086 CG PHE A 90 8.741 11.048 -17.633 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.963 11.742 -17.543 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.672 11.405 -16.787 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.119 12.782 -16.611 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.833 12.442 -15.849 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.061 13.120 -15.752 1.00 0.00 C ATOM 0 H PHE A 90 8.743 12.170 -20.631 1.00 0.00 H new ATOM 0 HA PHE A 90 8.146 9.358 -20.639 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.874 9.187 -18.200 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.552 9.373 -18.670 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.783 11.474 -18.193 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.729 10.883 -16.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.053 13.321 -16.555 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.012 12.717 -15.203 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.190 13.901 -15.017 1.00 0.00 H new ATOM 1101 N SER A 91 5.713 10.040 -19.720 1.00 0.00 N ATOM 1102 CA SER A 91 4.293 10.443 -19.762 1.00 0.00 C ATOM 1103 C SER A 91 3.524 9.965 -18.528 1.00 0.00 C ATOM 1104 O SER A 91 3.853 8.926 -17.959 1.00 0.00 O ATOM 1105 CB SER A 91 3.616 9.886 -21.024 1.00 0.00 C ATOM 1106 OG SER A 91 4.254 10.348 -22.204 1.00 0.00 O ATOM 0 H SER A 91 5.852 9.077 -19.413 1.00 0.00 H new ATOM 0 HA SER A 91 4.272 11.533 -19.777 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.639 8.797 -21.000 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.567 10.183 -21.036 1.00 0.00 H new ATOM 0 HG SER A 91 3.801 9.975 -22.989 1.00 0.00 H new ATOM 1112 N VAL A 92 2.434 10.646 -18.153 1.00 0.00 N ATOM 1113 CA VAL A 92 1.578 10.225 -17.012 1.00 0.00 C ATOM 1114 C VAL A 92 0.819 8.904 -17.256 1.00 0.00 C ATOM 1115 O VAL A 92 0.344 8.277 -16.310 1.00 0.00 O ATOM 1116 CB VAL A 92 0.616 11.342 -16.553 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.385 12.589 -16.101 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.385 11.743 -17.641 1.00 0.00 C ATOM 0 H VAL A 92 2.114 11.495 -18.619 1.00 0.00 H new ATOM 0 HA VAL A 92 2.277 10.030 -16.198 1.00 0.00 H new ATOM 0 HB VAL A 92 0.060 10.927 -15.712 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.679 13.357 -15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.039 12.331 -15.268 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.984 12.967 -16.929 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.036 12.531 -17.264 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.154 12.106 -18.516 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.987 10.878 -17.919 1.00 0.00 H new ATOM 1128 N LYS A 93 0.747 8.441 -18.515 1.00 0.00 N ATOM 1129 CA LYS A 93 0.253 7.103 -18.910 1.00 0.00 C ATOM 1130 C LYS A 93 1.345 6.013 -18.910 1.00 0.00 C ATOM 1131 O LYS A 93 1.031 4.836 -19.083 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.439 7.200 -20.286 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.708 8.074 -20.302 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.879 7.563 -19.444 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.370 6.177 -19.890 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.573 5.746 -19.126 1.00 0.00 N ATOM 0 H LYS A 93 1.039 9.003 -19.315 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.465 6.788 -18.153 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.272 7.600 -21.009 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.701 6.196 -20.619 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.442 9.075 -19.962 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.050 8.167 -21.333 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.568 7.517 -18.400 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.704 8.273 -19.500 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.604 6.199 -20.954 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.572 5.447 -19.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.875 4.807 -19.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.343 5.701 -18.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.343 6.429 -19.276 1.00 0.00 H new ATOM 1150 N ASP A 94 2.612 6.388 -18.709 1.00 0.00 N ATOM 1151 CA ASP A 94 3.775 5.489 -18.654 1.00 0.00 C ATOM 1152 C ASP A 94 4.833 5.989 -17.631 1.00 0.00 C ATOM 1153 O ASP A 94 5.945 6.369 -18.015 1.00 0.00 O ATOM 1154 CB ASP A 94 4.340 5.334 -20.079 1.00 0.00 C ATOM 1155 CG ASP A 94 5.487 4.310 -20.168 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.451 3.281 -19.450 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.408 4.504 -20.999 1.00 0.00 O ATOM 0 H ASP A 94 2.869 7.366 -18.574 1.00 0.00 H new ATOM 0 HA ASP A 94 3.472 4.506 -18.295 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.537 5.030 -20.750 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.698 6.302 -20.428 1.00 0.00 H new ATOM 1162 N PRO A 95 4.500 6.033 -16.321 1.00 0.00 N ATOM 1163 CA PRO A 95 5.347 6.620 -15.272 1.00 0.00 C ATOM 1164 C PRO A 95 6.510 5.723 -14.806 1.00 0.00 C ATOM 1165 O PRO A 95 7.252 6.099 -13.898 1.00 0.00 O ATOM 1166 CB PRO A 95 4.380 6.932 -14.127 1.00 0.00 C ATOM 1167 CG PRO A 95 3.363 5.796 -14.235 1.00 0.00 C ATOM 1168 CD PRO A 95 3.221 5.629 -15.746 1.00 0.00 C ATOM 0 HA PRO A 95 5.861 7.502 -15.654 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.883 6.936 -13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.912 7.909 -14.246 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.720 4.884 -13.757 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.415 6.053 -13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.987 4.596 -16.003 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.409 6.245 -16.131 1.00 0.00 H new ATOM 1176 N SER A 96 6.696 4.542 -15.406 1.00 0.00 N ATOM 1177 CA SER A 96 7.717 3.547 -15.033 1.00 0.00 C ATOM 1178 C SER A 96 9.152 4.082 -14.850 1.00 0.00 C ATOM 1179 O SER A 96 9.815 3.590 -13.940 1.00 0.00 O ATOM 1180 CB SER A 96 7.701 2.385 -16.031 1.00 0.00 C ATOM 1181 OG SER A 96 6.412 1.782 -16.025 1.00 0.00 O ATOM 0 H SER A 96 6.122 4.239 -16.192 1.00 0.00 H new ATOM 0 HA SER A 96 7.429 3.213 -14.036 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.943 2.745 -17.031 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.461 1.650 -15.765 1.00 0.00 H new ATOM 0 HG SER A 96 6.396 1.039 -16.663 1.00 0.00 H new ATOM 1187 N PRO A 97 9.648 5.110 -15.579 1.00 0.00 N ATOM 1188 CA PRO A 97 10.953 5.732 -15.307 1.00 0.00 C ATOM 1189 C PRO A 97 11.166 6.243 -13.869 1.00 0.00 C ATOM 1190 O PRO A 97 12.286 6.199 -13.364 1.00 0.00 O ATOM 1191 CB PRO A 97 11.050 6.879 -16.317 1.00 0.00 C ATOM 1192 CG PRO A 97 10.295 6.321 -17.519 1.00 0.00 C ATOM 1193 CD PRO A 97 9.120 5.631 -16.836 1.00 0.00 C ATOM 0 HA PRO A 97 11.736 4.981 -15.408 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.593 7.793 -15.939 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.085 7.118 -16.562 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.971 7.106 -18.202 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.901 5.625 -18.099 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.304 6.331 -16.658 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.722 4.828 -17.457 1.00 0.00 H new ATOM 1201 N LEU A 98 10.104 6.683 -13.183 1.00 0.00 N ATOM 1202 CA LEU A 98 10.136 7.108 -11.774 1.00 0.00 C ATOM 1203 C LEU A 98 10.319 5.889 -10.850 1.00 0.00 C ATOM 1204 O LEU A 98 11.214 5.828 -9.998 1.00 0.00 O ATOM 1205 CB LEU A 98 8.830 7.902 -11.532 1.00 0.00 C ATOM 1206 CG LEU A 98 8.701 8.646 -10.192 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.605 9.707 -10.289 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.324 7.732 -9.027 1.00 0.00 C ATOM 0 H LEU A 98 9.176 6.756 -13.600 1.00 0.00 H new ATOM 0 HA LEU A 98 10.985 7.752 -11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.723 8.631 -12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.992 7.210 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 98 9.683 9.079 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.519 10.230 -9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.858 10.421 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.655 9.228 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.250 8.320 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.364 7.258 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.089 6.965 -8.904 1.00 0.00 H new ATOM 1220 N TYR A 99 9.515 4.853 -11.075 1.00 0.00 N ATOM 1221 CA TYR A 99 9.606 3.613 -10.308 1.00 0.00 C ATOM 1222 C TYR A 99 10.917 2.859 -10.578 1.00 0.00 C ATOM 1223 O TYR A 99 11.454 2.242 -9.668 1.00 0.00 O ATOM 1224 CB TYR A 99 8.368 2.754 -10.582 1.00 0.00 C ATOM 1225 CG TYR A 99 7.068 3.433 -10.187 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.677 3.463 -8.834 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.263 4.058 -11.161 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.483 4.108 -8.456 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.064 4.694 -10.786 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.668 4.718 -9.433 1.00 0.00 C ATOM 1231 OH TYR A 99 3.498 5.322 -9.084 1.00 0.00 O ATOM 0 H TYR A 99 8.787 4.848 -11.789 1.00 0.00 H new ATOM 0 HA TYR A 99 9.627 3.858 -9.246 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.333 2.507 -11.643 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.459 1.814 -10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.294 2.990 -8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.567 4.049 -12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.191 4.136 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.446 5.165 -11.537 1.00 0.00 H new ATOM 0 HH TYR A 99 3.068 5.689 -9.884 1.00 0.00 H new ATOM 1241 N ASP A 100 11.509 2.985 -11.768 1.00 0.00 N ATOM 1242 CA ASP A 100 12.861 2.499 -12.087 1.00 0.00 C ATOM 1243 C ASP A 100 13.958 3.248 -11.304 1.00 0.00 C ATOM 1244 O ASP A 100 14.980 2.678 -10.920 1.00 0.00 O ATOM 1245 CB ASP A 100 13.081 2.662 -13.595 1.00 0.00 C ATOM 1246 CG ASP A 100 14.365 1.992 -14.108 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.728 0.894 -13.620 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.995 2.564 -15.030 1.00 0.00 O ATOM 0 H ASP A 100 11.053 3.439 -12.559 1.00 0.00 H new ATOM 0 HA ASP A 100 12.933 1.452 -11.793 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.226 2.243 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.115 3.725 -13.835 1.00 0.00 H new ATOM 1253 N MET A 101 13.713 4.526 -11.009 1.00 0.00 N ATOM 1254 CA MET A 101 14.522 5.348 -10.098 1.00 0.00 C ATOM 1255 C MET A 101 14.363 4.915 -8.622 1.00 0.00 C ATOM 1256 O MET A 101 15.323 5.017 -7.861 1.00 0.00 O ATOM 1257 CB MET A 101 14.199 6.841 -10.359 1.00 0.00 C ATOM 1258 CG MET A 101 13.923 7.701 -9.119 1.00 0.00 C ATOM 1259 SD MET A 101 13.109 9.276 -9.485 1.00 0.00 S ATOM 1260 CE MET A 101 11.767 9.161 -8.278 1.00 0.00 C ATOM 0 H MET A 101 12.924 5.035 -11.407 1.00 0.00 H new ATOM 0 HA MET A 101 15.582 5.195 -10.302 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.034 7.282 -10.903 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.329 6.894 -11.013 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.301 7.134 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.866 7.900 -8.610 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.141 10.051 -8.344 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.165 8.277 -8.487 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.186 9.086 -7.274 1.00 0.00 H new ATOM 1270 N LEU A 102 13.185 4.423 -8.211 1.00 0.00 N ATOM 1271 CA LEU A 102 12.885 4.009 -6.828 1.00 0.00 C ATOM 1272 C LEU A 102 13.180 2.534 -6.518 1.00 0.00 C ATOM 1273 O LEU A 102 13.571 2.237 -5.393 1.00 0.00 O ATOM 1274 CB LEU A 102 11.416 4.331 -6.497 1.00 0.00 C ATOM 1275 CG LEU A 102 11.057 5.825 -6.534 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.569 5.986 -6.241 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.826 6.643 -5.499 1.00 0.00 C ATOM 0 H LEU A 102 12.395 4.298 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 102 13.563 4.581 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.775 3.801 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.189 3.942 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 102 11.322 6.192 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.306 7.043 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.990 5.451 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.346 5.579 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.532 7.690 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.600 6.271 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.896 6.553 -5.686 1.00 0.00 H new ATOM 1289 N ARG A 103 13.049 1.617 -7.486 1.00 0.00 N ATOM 1290 CA ARG A 103 13.237 0.158 -7.302 1.00 0.00 C ATOM 1291 C ARG A 103 14.650 -0.236 -6.884 1.00 0.00 C ATOM 1292 O ARG A 103 14.840 -1.230 -6.184 1.00 0.00 O ATOM 1293 CB ARG A 103 12.769 -0.606 -8.556 1.00 0.00 C ATOM 1294 CG ARG A 103 13.525 -0.346 -9.868 1.00 0.00 C ATOM 1295 CD ARG A 103 14.760 -1.218 -10.126 1.00 0.00 C ATOM 1296 NE ARG A 103 15.369 -0.859 -11.421 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.443 -1.369 -11.987 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.165 -2.304 -11.434 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.793 -0.915 -13.152 1.00 0.00 N ATOM 0 H ARG A 103 12.804 1.867 -8.444 1.00 0.00 H new ATOM 0 HA ARG A 103 12.608 -0.134 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.826 -1.673 -8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.718 -0.370 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.830 -0.484 -10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.835 0.699 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.485 -1.082 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.478 -2.271 -10.127 1.00 0.00 H new ATOM 0 HE ARG A 103 14.898 -0.121 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.906 -2.675 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.988 -2.665 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.241 -0.185 -13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.620 -1.289 -13.618 1.00 0.00 H new ATOM 1313 N LYS A 104 15.630 0.585 -7.278 1.00 0.00 N ATOM 1314 CA LYS A 104 17.023 0.495 -6.799 1.00 0.00 C ATOM 1315 C LYS A 104 17.130 0.730 -5.285 1.00 0.00 C ATOM 1316 O LYS A 104 18.028 0.174 -4.652 1.00 0.00 O ATOM 1317 CB LYS A 104 17.949 1.420 -7.614 1.00 0.00 C ATOM 1318 CG LYS A 104 17.980 2.881 -7.131 1.00 0.00 C ATOM 1319 CD LYS A 104 18.889 3.778 -7.984 1.00 0.00 C ATOM 1320 CE LYS A 104 18.356 3.958 -9.411 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.256 4.825 -10.224 1.00 0.00 N ATOM 0 H LYS A 104 15.481 1.341 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 104 17.366 -0.526 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.962 1.019 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.632 1.402 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.967 3.283 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.321 2.908 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.983 4.754 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.889 3.345 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.258 2.984 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.359 4.398 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.867 4.926 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.330 5.762 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.200 4.392 -10.277 1.00 0.00 H new ATOM 1335 N ASN A 105 16.212 1.524 -4.711 1.00 0.00 N ATOM 1336 CA ASN A 105 16.069 1.650 -3.254 1.00 0.00 C ATOM 1337 C ASN A 105 15.118 0.572 -2.682 1.00 0.00 C ATOM 1338 O ASN A 105 15.577 -0.531 -2.376 1.00 0.00 O ATOM 1339 CB ASN A 105 15.740 3.101 -2.863 1.00 0.00 C ATOM 1340 CG ASN A 105 15.770 3.271 -1.350 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.763 3.163 -0.671 1.00 0.00 O ATOM 1342 ND2 ASN A 105 16.926 3.504 -0.771 1.00 0.00 N ATOM 0 H ASN A 105 15.552 2.093 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 105 17.025 1.440 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.458 3.779 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.756 3.371 -3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.979 3.594 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.770 3.595 -1.336 1.00 0.00 H new ATOM 1349 N LEU A 106 13.816 0.860 -2.536 1.00 0.00 N ATOM 1350 CA LEU A 106 12.814 -0.074 -2.005 1.00 0.00 C ATOM 1351 C LEU A 106 12.102 -0.880 -3.107 1.00 0.00 C ATOM 1352 O LEU A 106 11.772 -0.353 -4.169 1.00 0.00 O ATOM 1353 CB LEU A 106 11.838 0.659 -1.056 1.00 0.00 C ATOM 1354 CG LEU A 106 10.705 1.483 -1.704 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.797 2.040 -0.611 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.197 2.662 -2.547 1.00 0.00 C ATOM 0 H LEU A 106 13.423 1.767 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 106 13.340 -0.823 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.383 -0.084 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.421 1.327 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 106 10.181 0.798 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.996 2.623 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.368 1.217 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.378 2.679 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.342 3.190 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.772 3.343 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.829 2.293 -3.355 1.00 0.00 H new ATOM 1368 N VAL A 107 11.789 -2.149 -2.826 1.00 0.00 N ATOM 1369 CA VAL A 107 11.082 -3.066 -3.746 1.00 0.00 C ATOM 1370 C VAL A 107 9.559 -2.839 -3.724 1.00 0.00 C ATOM 1371 O VAL A 107 8.775 -3.699 -3.318 1.00 0.00 O ATOM 1372 CB VAL A 107 11.502 -4.539 -3.527 1.00 0.00 C ATOM 1373 CG1 VAL A 107 12.938 -4.754 -4.022 1.00 0.00 C ATOM 1374 CG2 VAL A 107 11.430 -5.011 -2.066 1.00 0.00 C ATOM 0 H VAL A 107 12.023 -2.584 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 107 11.395 -2.825 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 107 10.781 -5.128 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 107 13.226 -5.793 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.995 -4.519 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.615 -4.102 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.741 -6.054 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.091 -4.398 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.407 -4.916 -1.703 1.00 0.00 H new ATOM 1384 N THR A 108 9.138 -1.637 -4.134 1.00 0.00 N ATOM 1385 CA THR A 108 7.724 -1.214 -4.162 1.00 0.00 C ATOM 1386 C THR A 108 6.872 -1.991 -5.181 1.00 0.00 C ATOM 1387 O THR A 108 7.378 -2.669 -6.080 1.00 0.00 O ATOM 1388 CB THR A 108 7.591 0.311 -4.330 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.251 0.725 -4.171 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.071 0.853 -5.677 1.00 0.00 C ATOM 0 H THR A 108 9.778 -0.914 -4.463 1.00 0.00 H new ATOM 0 HA THR A 108 7.312 -1.472 -3.186 1.00 0.00 H new ATOM 0 HB THR A 108 8.239 0.715 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.130 1.607 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.938 1.935 -5.702 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.126 0.614 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.491 0.397 -6.480 1.00 0.00 H new ATOM 1398 N LEU A 109 5.552 -1.894 -5.011 1.00 0.00 N ATOM 1399 CA LEU A 109 4.529 -2.694 -5.707 1.00 0.00 C ATOM 1400 C LEU A 109 4.006 -2.068 -7.013 1.00 0.00 C ATOM 1401 O LEU A 109 3.142 -2.644 -7.679 1.00 0.00 O ATOM 1402 CB LEU A 109 3.358 -2.969 -4.744 1.00 0.00 C ATOM 1403 CG LEU A 109 3.724 -3.661 -3.414 1.00 0.00 C ATOM 1404 CD1 LEU A 109 2.464 -3.853 -2.571 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.375 -5.030 -3.624 1.00 0.00 C ATOM 0 H LEU A 109 5.143 -1.227 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 109 5.017 -3.622 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.871 -2.021 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.625 -3.587 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 109 4.442 -3.015 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.725 -4.342 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.015 -2.882 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.752 -4.472 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.612 -5.472 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.687 -5.682 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.291 -4.912 -4.203 1.00 0.00 H new ATOM 1417 N ALA A 110 4.512 -0.888 -7.366 1.00 0.00 N ATOM 1418 CA ALA A 110 4.040 -0.062 -8.476 1.00 0.00 C ATOM 1419 C ALA A 110 5.114 0.157 -9.551 1.00 0.00 C ATOM 1420 O ALA A 110 6.313 0.032 -9.285 1.00 0.00 O ATOM 1421 CB ALA A 110 3.553 1.272 -7.925 1.00 0.00 C ATOM 0 H ALA A 110 5.294 -0.464 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 110 3.222 -0.590 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.198 1.897 -8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.738 1.100 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.373 1.776 -7.414 1.00 0.00 H new ATOM 1427 N THR A 111 4.673 0.468 -10.776 1.00 0.00 N ATOM 1428 CA THR A 111 5.548 0.530 -11.957 1.00 0.00 C ATOM 1429 C THR A 111 4.946 1.282 -13.151 1.00 0.00 C ATOM 1430 O THR A 111 3.748 1.597 -13.176 1.00 0.00 O ATOM 1431 CB THR A 111 5.935 -0.900 -12.347 1.00 0.00 C ATOM 1432 OG1 THR A 111 7.033 -0.860 -13.235 1.00 0.00 O ATOM 1433 CG2 THR A 111 4.814 -1.721 -12.990 1.00 0.00 C ATOM 0 H THR A 111 3.697 0.685 -10.978 1.00 0.00 H new ATOM 0 HA THR A 111 6.428 1.111 -11.681 1.00 0.00 H new ATOM 0 HB THR A 111 6.180 -1.402 -11.411 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.285 -1.773 -13.485 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.185 -2.717 -13.230 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.978 -1.803 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.480 -1.228 -13.903 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.188 13.634 -12.144 1.00 0.00 N HETATM 1443 CG1 49H A 200 2.030 13.644 -11.271 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.168 11.705 -10.887 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.011 15.307 -13.876 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.486 13.843 -12.581 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.818 12.902 -10.385 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.398 11.090 -12.007 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.453 10.933 -9.757 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.076 14.736 -14.591 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.261 16.313 -14.510 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.695 13.292 -13.000 1.00 0.00 C HETATM 1453 CE2 49H A 200 4.020 12.338 -10.809 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.690 9.730 -11.989 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.188 9.564 -9.751 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.421 15.183 -15.863 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.630 16.771 -15.779 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.454 12.531 -12.117 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.387 8.961 -10.869 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.703 16.215 -16.458 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.923 11.806 -12.663 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.437 9.000 -13.362 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.168 16.295 -18.466 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.669 16.494 -15.581 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.955 17.929 -13.516 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.043 20.102 -11.302 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.101 19.802 -12.072 1.00 0.00 N HETATM 1468 O1 49H A 200 -0.856 21.266 -11.009 1.00 0.00 O HETATM 1469 C2 49H A 200 -2.518 18.433 -12.401 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.475 17.576 -11.257 1.00 0.00 N HETATM 1471 C3 49H A 200 -1.939 17.409 -11.409 1.00 0.00 C HETATM 1472 N3 49H A 200 0.195 15.332 -11.576 1.00 0.00 N HETATM 1473 O3 49H A 200 -1.998 16.704 -17.717 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.124 18.968 -10.844 1.00 0.00 C HETATM 1475 C5 49H A 200 0.445 16.578 -11.114 1.00 0.00 C HETATM 1476 O5 49H A 200 1.487 16.806 -10.522 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.734 14.775 -12.499 1.00 0.00 C HETATM 1478 O6 49H A 200 0.887 16.800 -13.916 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.510 13.193 -10.899 1.00 0.00 C HETATM 1480 C8 49H A 200 0.681 14.189 -10.789 1.00 0.00 C HETATM 1481 C9 49H A 200 1.974 17.463 -14.602 1.00 0.00 C