USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 104 LYS NZ :NH3+ -172:sc= 0.694 (180deg=0) USER MOD Set 1.2: A 111 THR OG1 : rot 145:sc= 0.581 USER MOD Set 2.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl -163:sc= -0.0387 (180deg=-0.18) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0815 K(o=-0.082,f=-0.71) USER MOD Single : A 26 GLN : amide:sc= -1.02 K(o=-1,f=-2!) 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 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -168:sc= -0.556 (180deg=-0.814) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -169:sc= -0.0123 (180deg=-0.192) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 59 TYR OH : rot -161:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.69 K(o=0.69,f=-0.2) USER MOD Single : A 68 GLN : amide:sc= 0.844 K(o=0.84,f=-0.012) USER MOD Single : A 69 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.672 K(o=0.67,f=-4.1!) USER MOD Single : A 72 HIS : no HD1:sc= 0.733 K(o=0.73,f=-3.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.521 K(o=-0.52,f=-3.4!) USER MOD Single : A 89 SER OG : rot -143:sc= 1.07 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 145:sc= -3.67! (180deg=-6.34!) USER MOD Single : A 105 ASN : amide:sc= 0.697 K(o=0.7,f=-1.8!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.291 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.718 5.739 12.411 1.00 0.00 N ATOM 2 CA GLN A 23 6.826 5.695 11.452 1.00 0.00 C ATOM 3 C GLN A 23 6.379 5.197 10.065 1.00 0.00 C ATOM 4 O GLN A 23 5.466 4.379 9.929 1.00 0.00 O ATOM 5 CB GLN A 23 7.968 4.816 11.999 1.00 0.00 C ATOM 6 CG GLN A 23 8.590 5.369 13.292 1.00 0.00 C ATOM 7 CD GLN A 23 9.748 4.499 13.780 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.919 4.789 13.564 1.00 0.00 O ATOM 9 NE2 GLN A 23 9.478 3.393 14.446 1.00 0.00 N ATOM 0 HA GLN A 23 7.187 6.716 11.324 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.587 3.812 12.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.744 4.726 11.239 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.946 6.385 13.119 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.826 5.426 14.068 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.509 3.135 14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.238 2.795 14.772 1.00 0.00 H new ATOM 18 N ILE A 24 7.060 5.692 9.028 1.00 0.00 N ATOM 19 CA ILE A 24 6.726 5.557 7.614 1.00 0.00 C ATOM 20 C ILE A 24 7.416 4.399 6.879 1.00 0.00 C ATOM 21 O ILE A 24 7.241 4.228 5.673 1.00 0.00 O ATOM 22 CB ILE A 24 6.996 6.918 6.967 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.457 7.391 7.140 1.00 0.00 C ATOM 24 CG2 ILE A 24 5.955 7.940 7.460 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.695 8.712 6.425 1.00 0.00 C ATOM 0 H ILE A 24 7.914 6.232 9.167 1.00 0.00 H new ATOM 0 HA ILE A 24 5.676 5.278 7.531 1.00 0.00 H new ATOM 0 HB ILE A 24 6.879 6.816 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.683 7.502 8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.136 6.634 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.149 8.908 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.955 7.602 7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.023 8.035 8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.731 9.020 6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.492 8.591 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.032 9.473 6.837 1.00 0.00 H new ATOM 37 N ASN A 25 8.227 3.627 7.605 1.00 0.00 N ATOM 38 CA ASN A 25 9.056 2.507 7.125 1.00 0.00 C ATOM 39 C ASN A 25 10.036 2.851 5.968 1.00 0.00 C ATOM 40 O ASN A 25 10.574 1.954 5.317 1.00 0.00 O ATOM 41 CB ASN A 25 8.123 1.311 6.834 1.00 0.00 C ATOM 42 CG ASN A 25 8.835 -0.036 6.760 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.843 -0.287 7.408 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.304 -0.970 6.000 1.00 0.00 N ATOM 0 H ASN A 25 8.333 3.772 8.609 1.00 0.00 H new ATOM 0 HA ASN A 25 9.755 2.237 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.360 1.263 7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.607 1.489 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.732 -1.895 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.464 -0.769 5.457 1.00 0.00 H new ATOM 51 N GLN A 26 10.268 4.142 5.690 1.00 0.00 N ATOM 52 CA GLN A 26 11.019 4.665 4.565 1.00 0.00 C ATOM 53 C GLN A 26 12.336 5.359 4.967 1.00 0.00 C ATOM 54 O GLN A 26 12.598 5.635 6.138 1.00 0.00 O ATOM 55 CB GLN A 26 10.061 5.573 3.773 1.00 0.00 C ATOM 56 CG GLN A 26 9.589 4.847 2.502 1.00 0.00 C ATOM 57 CD GLN A 26 10.746 4.566 1.554 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.991 3.451 1.122 1.00 0.00 O ATOM 59 NE2 GLN A 26 11.530 5.578 1.268 1.00 0.00 N ATOM 0 H GLN A 26 9.909 4.886 6.289 1.00 0.00 H new ATOM 0 HA GLN A 26 11.364 3.845 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.203 5.839 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.563 6.503 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.107 3.909 2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.840 5.454 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.318 6.507 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.352 5.436 0.680 1.00 0.00 H new ATOM 68 N VAL A 27 13.167 5.621 3.956 1.00 0.00 N ATOM 69 CA VAL A 27 14.568 6.088 4.031 1.00 0.00 C ATOM 70 C VAL A 27 14.817 7.238 3.037 1.00 0.00 C ATOM 71 O VAL A 27 13.937 7.572 2.241 1.00 0.00 O ATOM 72 CB VAL A 27 15.556 4.914 3.827 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.483 3.911 4.983 1.00 0.00 C ATOM 74 CG2 VAL A 27 15.329 4.156 2.515 1.00 0.00 C ATOM 0 H VAL A 27 12.864 5.506 2.989 1.00 0.00 H new ATOM 0 HA VAL A 27 14.746 6.484 5.031 1.00 0.00 H new ATOM 0 HB VAL A 27 16.542 5.376 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.190 3.100 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.733 4.414 5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.474 3.505 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.054 3.346 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.320 3.743 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.451 4.839 1.674 1.00 0.00 H new ATOM 84 N ARG A 28 15.993 7.882 3.081 1.00 0.00 N ATOM 85 CA ARG A 28 16.281 9.101 2.287 1.00 0.00 C ATOM 86 C ARG A 28 16.632 8.739 0.829 1.00 0.00 C ATOM 87 O ARG A 28 17.270 7.710 0.595 1.00 0.00 O ATOM 88 CB ARG A 28 17.491 9.862 2.881 1.00 0.00 C ATOM 89 CG ARG A 28 17.238 10.503 4.254 1.00 0.00 C ATOM 90 CD ARG A 28 18.469 11.249 4.790 1.00 0.00 C ATOM 91 NE ARG A 28 19.570 10.331 5.153 1.00 0.00 N ATOM 92 CZ ARG A 28 20.782 10.673 5.558 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.149 11.918 5.680 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.661 9.759 5.855 1.00 0.00 N ATOM 0 H ARG A 28 16.773 7.579 3.664 1.00 0.00 H new ATOM 0 HA ARG A 28 15.386 9.722 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 28 18.330 9.171 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.791 10.642 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.401 11.197 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.948 9.729 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.820 11.953 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.184 11.834 5.664 1.00 0.00 H new ATOM 0 HE ARG A 28 19.375 9.332 5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.493 12.667 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.093 12.143 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.417 8.772 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.594 10.030 6.167 1.00 0.00 H new ATOM 108 N PRO A 29 16.231 9.570 -0.156 1.00 0.00 N ATOM 109 CA PRO A 29 16.565 9.372 -1.567 1.00 0.00 C ATOM 110 C PRO A 29 18.035 9.690 -1.867 1.00 0.00 C ATOM 111 O PRO A 29 18.787 10.142 -0.999 1.00 0.00 O ATOM 112 CB PRO A 29 15.601 10.298 -2.317 1.00 0.00 C ATOM 113 CG PRO A 29 15.460 11.483 -1.370 1.00 0.00 C ATOM 114 CD PRO A 29 15.452 10.799 -0.002 1.00 0.00 C ATOM 0 HA PRO A 29 16.454 8.332 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.002 10.600 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.642 9.815 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.287 12.186 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.543 12.043 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.890 11.445 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.433 10.577 0.316 1.00 0.00 H new ATOM 122 N LYS A 30 18.442 9.469 -3.125 1.00 0.00 N ATOM 123 CA LYS A 30 19.766 9.832 -3.629 1.00 0.00 C ATOM 124 C LYS A 30 19.999 11.342 -3.459 1.00 0.00 C ATOM 125 O LYS A 30 19.064 12.131 -3.587 1.00 0.00 O ATOM 126 CB LYS A 30 19.838 9.372 -5.097 1.00 0.00 C ATOM 127 CG LYS A 30 21.258 9.187 -5.637 1.00 0.00 C ATOM 128 CD LYS A 30 21.761 7.733 -5.646 1.00 0.00 C ATOM 129 CE LYS A 30 21.855 7.096 -4.250 1.00 0.00 C ATOM 130 NZ LYS A 30 22.406 5.713 -4.322 1.00 0.00 N ATOM 0 H LYS A 30 17.849 9.027 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 30 20.562 9.342 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.300 8.429 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.319 10.102 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.298 9.577 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.941 9.789 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.094 7.132 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.744 7.702 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.489 7.710 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.867 7.073 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.457 5.310 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.787 5.123 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.359 5.740 -4.738 1.00 0.00 H new ATOM 144 N LEU A 31 21.240 11.757 -3.207 1.00 0.00 N ATOM 145 CA LEU A 31 21.561 13.139 -2.799 1.00 0.00 C ATOM 146 C LEU A 31 21.072 14.218 -3.787 1.00 0.00 C ATOM 147 O LEU A 31 20.403 15.148 -3.335 1.00 0.00 O ATOM 148 CB LEU A 31 23.064 13.265 -2.461 1.00 0.00 C ATOM 149 CG LEU A 31 23.419 12.926 -0.998 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.114 11.476 -0.615 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.910 13.171 -0.765 1.00 0.00 C ATOM 0 H LEU A 31 22.057 11.150 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 31 20.992 13.341 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.629 12.607 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.388 14.284 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 31 22.798 13.572 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.389 11.309 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.049 11.282 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.686 10.803 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.161 12.932 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.492 12.539 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.142 14.218 -0.961 1.00 0.00 H new ATOM 163 N PRO A 32 21.271 14.099 -5.118 1.00 0.00 N ATOM 164 CA PRO A 32 20.731 15.081 -6.063 1.00 0.00 C ATOM 165 C PRO A 32 19.199 15.086 -6.139 1.00 0.00 C ATOM 166 O PRO A 32 18.614 16.124 -6.425 1.00 0.00 O ATOM 167 CB PRO A 32 21.362 14.752 -7.422 1.00 0.00 C ATOM 168 CG PRO A 32 22.623 13.972 -7.053 1.00 0.00 C ATOM 169 CD PRO A 32 22.186 13.201 -5.810 1.00 0.00 C ATOM 0 HA PRO A 32 20.981 16.088 -5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.691 14.159 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.599 15.656 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.936 13.304 -7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.463 14.635 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.695 12.265 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.040 12.945 -5.182 1.00 0.00 H new ATOM 177 N LEU A 33 18.524 13.975 -5.814 1.00 0.00 N ATOM 178 CA LEU A 33 17.057 13.930 -5.720 1.00 0.00 C ATOM 179 C LEU A 33 16.584 14.737 -4.500 1.00 0.00 C ATOM 180 O LEU A 33 15.674 15.552 -4.620 1.00 0.00 O ATOM 181 CB LEU A 33 16.595 12.457 -5.736 1.00 0.00 C ATOM 182 CG LEU A 33 15.153 12.204 -6.227 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.881 10.703 -6.287 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.066 12.807 -5.345 1.00 0.00 C ATOM 0 H LEU A 33 18.977 13.084 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 33 16.589 14.407 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.278 11.890 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.689 12.057 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 33 15.105 12.686 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.862 10.531 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.583 10.233 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.003 10.271 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.087 12.579 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.136 12.386 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.197 13.888 -5.294 1.00 0.00 H new ATOM 196 N LEU A 34 17.277 14.642 -3.359 1.00 0.00 N ATOM 197 CA LEU A 34 17.025 15.539 -2.221 1.00 0.00 C ATOM 198 C LEU A 34 17.247 17.020 -2.609 1.00 0.00 C ATOM 199 O LEU A 34 16.447 17.878 -2.231 1.00 0.00 O ATOM 200 CB LEU A 34 17.880 15.079 -1.021 1.00 0.00 C ATOM 201 CG LEU A 34 17.568 15.771 0.323 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.111 15.591 0.752 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.461 15.187 1.416 1.00 0.00 C ATOM 0 H LEU A 34 18.014 13.956 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 34 15.978 15.479 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.749 14.004 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.930 15.246 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 34 17.754 16.836 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.947 16.097 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.453 16.018 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.893 14.529 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.241 15.675 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.273 14.117 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.507 15.351 1.157 1.00 0.00 H new ATOM 215 N LYS A 35 18.249 17.316 -3.457 1.00 0.00 N ATOM 216 CA LYS A 35 18.469 18.677 -3.997 1.00 0.00 C ATOM 217 C LYS A 35 17.349 19.134 -4.943 1.00 0.00 C ATOM 218 O LYS A 35 16.991 20.307 -4.918 1.00 0.00 O ATOM 219 CB LYS A 35 19.849 18.834 -4.673 1.00 0.00 C ATOM 220 CG LYS A 35 21.093 18.447 -3.848 1.00 0.00 C ATOM 221 CD LYS A 35 20.992 18.776 -2.351 1.00 0.00 C ATOM 222 CE LYS A 35 22.255 18.419 -1.554 1.00 0.00 C ATOM 223 NZ LYS A 35 23.390 19.347 -1.826 1.00 0.00 N ATOM 0 H LYS A 35 18.925 16.628 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 35 18.449 19.334 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.848 18.234 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.958 19.875 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.270 17.377 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.962 18.959 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.789 19.841 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.142 18.241 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.024 18.437 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.558 17.401 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.216 19.060 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.632 19.313 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.115 20.316 -1.568 1.00 0.00 H new ATOM 237 N ILE A 36 16.737 18.235 -5.717 1.00 0.00 N ATOM 238 CA ILE A 36 15.529 18.507 -6.514 1.00 0.00 C ATOM 239 C ILE A 36 14.331 18.891 -5.622 1.00 0.00 C ATOM 240 O ILE A 36 13.621 19.841 -5.953 1.00 0.00 O ATOM 241 CB ILE A 36 15.259 17.304 -7.451 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.362 17.257 -8.533 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.875 17.349 -8.114 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.406 15.940 -9.314 1.00 0.00 C ATOM 0 H ILE A 36 17.071 17.276 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 36 15.689 19.381 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 36 15.275 16.402 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.207 18.078 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.330 17.420 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.751 16.478 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.103 17.345 -7.345 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.787 18.256 -8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.205 15.983 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.592 15.115 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.452 15.784 -9.818 1.00 0.00 H new ATOM 256 N LEU A 37 14.136 18.264 -4.450 1.00 0.00 N ATOM 257 CA LEU A 37 13.122 18.726 -3.485 1.00 0.00 C ATOM 258 C LEU A 37 13.494 20.080 -2.846 1.00 0.00 C ATOM 259 O LEU A 37 12.615 20.928 -2.682 1.00 0.00 O ATOM 260 CB LEU A 37 12.832 17.672 -2.401 1.00 0.00 C ATOM 261 CG LEU A 37 11.953 16.498 -2.875 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.747 15.440 -3.626 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.335 15.796 -1.674 1.00 0.00 C ATOM 0 H LEU A 37 14.661 17.443 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 37 12.207 18.875 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.779 17.276 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.342 18.160 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 37 11.201 16.931 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.079 14.636 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.209 15.888 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.522 15.036 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.715 14.967 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.126 15.415 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.721 16.503 -1.116 1.00 0.00 H new ATOM 275 N HIS A 38 14.777 20.336 -2.556 1.00 0.00 N ATOM 276 CA HIS A 38 15.232 21.665 -2.103 1.00 0.00 C ATOM 277 C HIS A 38 14.956 22.751 -3.158 1.00 0.00 C ATOM 278 O HIS A 38 14.420 23.811 -2.831 1.00 0.00 O ATOM 279 CB HIS A 38 16.722 21.643 -1.720 1.00 0.00 C ATOM 280 CG HIS A 38 17.119 20.718 -0.587 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.437 20.354 -0.290 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.291 20.155 0.344 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.371 19.578 0.805 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.096 19.439 1.206 1.00 0.00 N ATOM 0 H HIS A 38 15.521 19.642 -2.626 1.00 0.00 H new ATOM 0 HA HIS A 38 14.656 21.916 -1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.297 21.365 -2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.020 22.657 -1.452 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.217 20.252 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.223 19.129 1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.778 18.897 2.010 1.00 0.00 H new ATOM 292 N ALA A 39 15.229 22.467 -4.437 1.00 0.00 N ATOM 293 CA ALA A 39 14.947 23.351 -5.572 1.00 0.00 C ATOM 294 C ALA A 39 13.443 23.599 -5.796 1.00 0.00 C ATOM 295 O ALA A 39 13.067 24.630 -6.357 1.00 0.00 O ATOM 296 CB ALA A 39 15.567 22.735 -6.828 1.00 0.00 C ATOM 0 H ALA A 39 15.665 21.589 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 39 15.384 24.325 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.368 23.378 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.644 22.636 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.131 21.751 -7.004 1.00 0.00 H new ATOM 302 N ALA A 40 12.578 22.691 -5.327 1.00 0.00 N ATOM 303 CA ALA A 40 11.128 22.883 -5.312 1.00 0.00 C ATOM 304 C ALA A 40 10.662 23.915 -4.252 1.00 0.00 C ATOM 305 O ALA A 40 9.480 24.265 -4.214 1.00 0.00 O ATOM 306 CB ALA A 40 10.445 21.522 -5.110 1.00 0.00 C ATOM 0 H ALA A 40 12.872 21.793 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 40 10.834 23.304 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.363 21.656 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.718 20.853 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.768 21.090 -4.163 1.00 0.00 H new ATOM 312 N GLY A 41 11.573 24.403 -3.395 1.00 0.00 N ATOM 313 CA GLY A 41 11.303 25.401 -2.352 1.00 0.00 C ATOM 314 C GLY A 41 10.926 24.814 -0.984 1.00 0.00 C ATOM 315 O GLY A 41 10.326 25.519 -0.169 1.00 0.00 O ATOM 0 H GLY A 41 12.548 24.103 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.186 26.029 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.494 26.049 -2.689 1.00 0.00 H new ATOM 319 N ALA A 42 11.248 23.538 -0.731 1.00 0.00 N ATOM 320 CA ALA A 42 10.886 22.808 0.488 1.00 0.00 C ATOM 321 C ALA A 42 12.098 22.168 1.193 1.00 0.00 C ATOM 322 O ALA A 42 13.028 21.678 0.549 1.00 0.00 O ATOM 323 CB ALA A 42 9.838 21.753 0.116 1.00 0.00 C ATOM 0 H ALA A 42 11.783 22.971 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 42 10.477 23.516 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.551 21.195 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.960 22.244 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.257 21.068 -0.622 1.00 0.00 H new ATOM 329 N GLN A 43 12.067 22.127 2.529 1.00 0.00 N ATOM 330 CA GLN A 43 13.023 21.368 3.349 1.00 0.00 C ATOM 331 C GLN A 43 12.710 19.857 3.271 1.00 0.00 C ATOM 332 O GLN A 43 11.557 19.472 3.053 1.00 0.00 O ATOM 333 CB GLN A 43 12.956 21.904 4.792 1.00 0.00 C ATOM 334 CG GLN A 43 14.077 21.390 5.711 1.00 0.00 C ATOM 335 CD GLN A 43 13.897 21.887 7.144 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.470 22.884 7.569 1.00 0.00 O ATOM 337 NE2 GLN A 43 13.083 21.222 7.939 1.00 0.00 N ATOM 0 H GLN A 43 11.369 22.626 3.081 1.00 0.00 H new ATOM 0 HA GLN A 43 14.039 21.497 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.995 22.993 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.994 21.630 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.086 20.300 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.043 21.720 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.601 20.391 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.935 21.538 8.897 1.00 0.00 H new ATOM 346 N GLY A 44 13.713 18.991 3.473 1.00 0.00 N ATOM 347 CA GLY A 44 13.520 17.535 3.432 1.00 0.00 C ATOM 348 C GLY A 44 14.468 16.718 4.310 1.00 0.00 C ATOM 349 O GLY A 44 15.680 16.935 4.303 1.00 0.00 O ATOM 0 H GLY A 44 14.673 19.277 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.495 17.314 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.630 17.201 2.400 1.00 0.00 H new ATOM 353 N GLU A 45 13.895 15.747 5.029 1.00 0.00 N ATOM 354 CA GLU A 45 14.570 14.735 5.848 1.00 0.00 C ATOM 355 C GLU A 45 13.721 13.441 5.844 1.00 0.00 C ATOM 356 O GLU A 45 12.988 13.154 6.790 1.00 0.00 O ATOM 357 CB GLU A 45 14.785 15.230 7.295 1.00 0.00 C ATOM 358 CG GLU A 45 15.819 16.352 7.443 1.00 0.00 C ATOM 359 CD GLU A 45 16.111 16.634 8.929 1.00 0.00 C ATOM 360 OE1 GLU A 45 15.393 17.454 9.553 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.069 16.045 9.489 1.00 0.00 O ATOM 0 H GLU A 45 12.881 15.640 5.056 1.00 0.00 H new ATOM 0 HA GLU A 45 15.554 14.538 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.831 15.580 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.095 14.386 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.741 16.073 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.451 17.258 6.962 1.00 0.00 H new ATOM 368 N MET A 46 13.832 12.686 4.745 1.00 0.00 N ATOM 369 CA MET A 46 13.235 11.370 4.445 1.00 0.00 C ATOM 370 C MET A 46 11.694 11.284 4.334 1.00 0.00 C ATOM 371 O MET A 46 10.941 11.941 5.057 1.00 0.00 O ATOM 372 CB MET A 46 13.949 10.225 5.185 1.00 0.00 C ATOM 373 CG MET A 46 13.117 9.283 6.053 1.00 0.00 C ATOM 374 SD MET A 46 12.480 9.933 7.624 1.00 0.00 S ATOM 375 CE MET A 46 14.020 10.545 8.366 1.00 0.00 C ATOM 0 H MET A 46 14.399 13.010 3.961 1.00 0.00 H new ATOM 0 HA MET A 46 13.455 11.211 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.464 9.619 4.439 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.716 10.669 5.820 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.268 8.942 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.724 8.405 6.274 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.849 10.782 9.416 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.791 9.779 8.288 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.346 11.442 7.840 1.00 0.00 H new ATOM 385 N PHE A 47 11.227 10.478 3.364 1.00 0.00 N ATOM 386 CA PHE A 47 9.819 10.437 2.935 1.00 0.00 C ATOM 387 C PHE A 47 9.438 9.166 2.150 1.00 0.00 C ATOM 388 O PHE A 47 10.290 8.359 1.766 1.00 0.00 O ATOM 389 CB PHE A 47 9.479 11.679 2.073 1.00 0.00 C ATOM 390 CG PHE A 47 10.562 12.710 1.819 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.717 12.373 1.085 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.405 14.013 2.321 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.728 13.331 0.895 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.402 14.977 2.105 1.00 0.00 C ATOM 395 CZ PHE A 47 12.571 14.629 1.408 1.00 0.00 C ATOM 0 H PHE A 47 11.824 9.830 2.851 1.00 0.00 H new ATOM 0 HA PHE A 47 9.236 10.431 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.129 11.323 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.641 12.190 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.825 11.382 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.515 14.273 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.626 13.069 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.271 15.984 2.474 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.351 15.362 1.266 1.00 0.00 H new ATOM 405 N THR A 48 8.136 9.010 1.897 1.00 0.00 N ATOM 406 CA THR A 48 7.516 8.015 1.000 1.00 0.00 C ATOM 407 C THR A 48 7.224 8.584 -0.399 1.00 0.00 C ATOM 408 O THR A 48 7.340 9.791 -0.617 1.00 0.00 O ATOM 409 CB THR A 48 6.217 7.482 1.633 1.00 0.00 C ATOM 410 OG1 THR A 48 5.255 8.515 1.661 1.00 0.00 O ATOM 411 CG2 THR A 48 6.410 6.966 3.061 1.00 0.00 C ATOM 0 H THR A 48 7.438 9.609 2.337 1.00 0.00 H new ATOM 0 HA THR A 48 8.231 7.202 0.873 1.00 0.00 H new ATOM 0 HB THR A 48 5.890 6.643 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.426 8.179 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.458 6.605 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.133 6.151 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.777 7.774 3.694 1.00 0.00 H new ATOM 419 N VAL A 49 6.768 7.746 -1.347 1.00 0.00 N ATOM 420 CA VAL A 49 6.275 8.195 -2.674 1.00 0.00 C ATOM 421 C VAL A 49 5.246 9.322 -2.540 1.00 0.00 C ATOM 422 O VAL A 49 5.383 10.338 -3.217 1.00 0.00 O ATOM 423 CB VAL A 49 5.688 7.010 -3.483 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.773 7.406 -4.652 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.819 6.170 -4.089 1.00 0.00 C ATOM 0 H VAL A 49 6.728 6.735 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 49 7.131 8.590 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 49 5.089 6.464 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.414 6.507 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.923 7.974 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.332 8.018 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.394 5.341 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.419 6.792 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.450 5.779 -3.291 1.00 0.00 H new ATOM 435 N LYS A 50 4.263 9.197 -1.635 1.00 0.00 N ATOM 436 CA LYS A 50 3.178 10.179 -1.464 1.00 0.00 C ATOM 437 C LYS A 50 3.700 11.588 -1.157 1.00 0.00 C ATOM 438 O LYS A 50 3.185 12.576 -1.679 1.00 0.00 O ATOM 439 CB LYS A 50 2.262 9.650 -0.355 1.00 0.00 C ATOM 440 CG LYS A 50 0.982 10.476 -0.191 1.00 0.00 C ATOM 441 CD LYS A 50 0.070 9.763 0.810 1.00 0.00 C ATOM 442 CE LYS A 50 -1.224 10.560 1.027 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.129 9.885 1.997 1.00 0.00 N ATOM 0 H LYS A 50 4.197 8.405 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 50 2.625 10.286 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.995 8.616 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.808 9.645 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.221 11.479 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.477 10.588 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.169 8.764 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.590 9.639 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.980 11.558 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.739 10.685 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.992 10.452 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.381 8.942 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.646 9.789 2.913 1.00 0.00 H new ATOM 457 N GLU A 51 4.756 11.669 -0.352 1.00 0.00 N ATOM 458 CA GLU A 51 5.438 12.920 -0.002 1.00 0.00 C ATOM 459 C GLU A 51 6.418 13.396 -1.093 1.00 0.00 C ATOM 460 O GLU A 51 6.531 14.599 -1.325 1.00 0.00 O ATOM 461 CB GLU A 51 6.159 12.728 1.336 1.00 0.00 C ATOM 462 CG GLU A 51 5.188 12.516 2.505 1.00 0.00 C ATOM 463 CD GLU A 51 5.953 12.355 3.832 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.471 11.246 4.109 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.027 13.337 4.613 1.00 0.00 O ATOM 0 H GLU A 51 5.174 10.849 0.088 1.00 0.00 H new ATOM 0 HA GLU A 51 4.686 13.705 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.828 11.870 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.780 13.601 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.506 13.363 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.579 11.631 2.322 1.00 0.00 H new ATOM 472 N VAL A 52 7.100 12.485 -1.801 1.00 0.00 N ATOM 473 CA VAL A 52 8.063 12.847 -2.861 1.00 0.00 C ATOM 474 C VAL A 52 7.369 13.362 -4.125 1.00 0.00 C ATOM 475 O VAL A 52 7.774 14.403 -4.636 1.00 0.00 O ATOM 476 CB VAL A 52 9.039 11.690 -3.165 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.947 11.962 -4.374 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.971 11.460 -1.971 1.00 0.00 C ATOM 0 H VAL A 52 7.003 11.480 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 52 8.658 13.675 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 52 8.408 10.826 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.608 11.109 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.334 12.116 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.545 12.854 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.655 10.642 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.542 12.367 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.379 11.207 -1.091 1.00 0.00 H new ATOM 488 N MET A 53 6.310 12.707 -4.623 1.00 0.00 N ATOM 489 CA MET A 53 5.623 13.140 -5.864 1.00 0.00 C ATOM 490 C MET A 53 4.964 14.500 -5.723 1.00 0.00 C ATOM 491 O MET A 53 4.886 15.261 -6.684 1.00 0.00 O ATOM 492 CB MET A 53 4.528 12.160 -6.302 1.00 0.00 C ATOM 493 CG MET A 53 5.052 10.761 -6.505 1.00 0.00 C ATOM 494 SD MET A 53 6.514 10.724 -7.547 1.00 0.00 S ATOM 495 CE MET A 53 7.591 9.866 -6.433 1.00 0.00 C ATOM 0 H MET A 53 5.906 11.876 -4.191 1.00 0.00 H new ATOM 0 HA MET A 53 6.417 13.181 -6.610 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.738 12.143 -5.551 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.078 12.514 -7.230 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.288 10.320 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.273 10.145 -6.954 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.613 9.909 -6.809 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.546 10.335 -5.450 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.278 8.825 -6.353 1.00 0.00 H new ATOM 505 N HIS A 54 4.532 14.803 -4.505 1.00 0.00 N ATOM 506 CA HIS A 54 3.992 16.125 -4.152 1.00 0.00 C ATOM 507 C HIS A 54 4.976 17.253 -4.523 1.00 0.00 C ATOM 508 O HIS A 54 4.622 18.161 -5.278 1.00 0.00 O ATOM 509 CB HIS A 54 3.613 16.162 -2.665 1.00 0.00 C ATOM 510 CG HIS A 54 3.101 17.510 -2.218 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.831 18.030 -2.485 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.819 18.433 -1.514 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.813 19.256 -1.930 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.993 19.522 -1.341 1.00 0.00 N ATOM 0 H HIS A 54 4.543 14.143 -3.728 1.00 0.00 H new ATOM 0 HA HIS A 54 3.087 16.296 -4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.850 15.408 -2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.484 15.894 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.835 18.330 -1.162 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.970 19.931 -1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.235 20.383 -0.850 1.00 0.00 H new ATOM 522 N TYR A 55 6.228 17.168 -4.056 1.00 0.00 N ATOM 523 CA TYR A 55 7.300 18.107 -4.417 1.00 0.00 C ATOM 524 C TYR A 55 7.862 17.912 -5.837 1.00 0.00 C ATOM 525 O TYR A 55 8.207 18.897 -6.487 1.00 0.00 O ATOM 526 CB TYR A 55 8.405 18.048 -3.355 1.00 0.00 C ATOM 527 CG TYR A 55 7.938 18.443 -1.963 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.457 19.747 -1.726 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.958 17.505 -0.913 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.986 20.106 -0.448 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.501 17.863 0.370 1.00 0.00 C ATOM 532 CZ TYR A 55 7.012 19.168 0.607 1.00 0.00 C ATOM 533 OH TYR A 55 6.557 19.527 1.840 1.00 0.00 O ATOM 0 H TYR A 55 6.529 16.438 -3.410 1.00 0.00 H new ATOM 0 HA TYR A 55 6.858 19.103 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.809 17.036 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.220 18.706 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.450 20.472 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.326 16.506 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.604 21.101 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.524 17.141 1.173 1.00 0.00 H new ATOM 0 HH TYR A 55 6.642 18.768 2.454 1.00 0.00 H new ATOM 543 N LEU A 56 7.940 16.681 -6.358 1.00 0.00 N ATOM 544 CA LEU A 56 8.476 16.405 -7.703 1.00 0.00 C ATOM 545 C LEU A 56 7.555 16.899 -8.822 1.00 0.00 C ATOM 546 O LEU A 56 8.034 17.545 -9.749 1.00 0.00 O ATOM 547 CB LEU A 56 8.804 14.904 -7.859 1.00 0.00 C ATOM 548 CG LEU A 56 10.287 14.533 -7.684 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.115 14.956 -8.899 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.917 15.133 -6.431 1.00 0.00 C ATOM 0 H LEU A 56 7.634 15.845 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 56 9.401 16.973 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.218 14.343 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.479 14.579 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 56 10.298 13.448 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.158 14.679 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.736 14.455 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.042 16.035 -9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.963 14.832 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.855 16.220 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.384 14.776 -5.549 1.00 0.00 H new ATOM 562 N GLY A 57 6.243 16.679 -8.720 1.00 0.00 N ATOM 563 CA GLY A 57 5.258 17.219 -9.662 1.00 0.00 C ATOM 564 C GLY A 57 5.231 18.750 -9.644 1.00 0.00 C ATOM 565 O GLY A 57 5.210 19.381 -10.698 1.00 0.00 O ATOM 0 H GLY A 57 5.830 16.117 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.490 16.872 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.269 16.835 -9.413 1.00 0.00 H new ATOM 569 N GLN A 58 5.347 19.353 -8.456 1.00 0.00 N ATOM 570 CA GLN A 58 5.506 20.800 -8.266 1.00 0.00 C ATOM 571 C GLN A 58 6.792 21.330 -8.930 1.00 0.00 C ATOM 572 O GLN A 58 6.747 22.308 -9.683 1.00 0.00 O ATOM 573 CB GLN A 58 5.464 21.072 -6.748 1.00 0.00 C ATOM 574 CG GLN A 58 5.774 22.505 -6.293 1.00 0.00 C ATOM 575 CD GLN A 58 4.731 23.516 -6.765 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.821 23.901 -6.042 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.808 23.974 -7.998 1.00 0.00 N ATOM 0 H GLN A 58 5.333 18.836 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 58 4.696 21.339 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.472 20.807 -6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.173 20.401 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.832 22.531 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.754 22.797 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.561 23.662 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.115 24.640 -8.339 1.00 0.00 H new ATOM 586 N TYR A 59 7.930 20.672 -8.704 1.00 0.00 N ATOM 587 CA TYR A 59 9.210 21.028 -9.313 1.00 0.00 C ATOM 588 C TYR A 59 9.133 20.934 -10.842 1.00 0.00 C ATOM 589 O TYR A 59 9.428 21.899 -11.539 1.00 0.00 O ATOM 590 CB TYR A 59 10.294 20.102 -8.746 1.00 0.00 C ATOM 591 CG TYR A 59 11.638 20.223 -9.428 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.560 21.204 -9.023 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.954 19.351 -10.484 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.802 21.301 -9.679 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.185 19.451 -11.154 1.00 0.00 C ATOM 596 CZ TYR A 59 14.125 20.424 -10.737 1.00 0.00 C ATOM 597 OH TYR A 59 15.341 20.554 -11.329 1.00 0.00 O ATOM 0 H TYR A 59 7.988 19.865 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 59 9.460 22.062 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.418 20.316 -7.684 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.951 19.070 -8.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.317 21.878 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.243 18.596 -10.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.513 22.053 -9.370 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.412 18.792 -11.979 1.00 0.00 H new ATOM 0 HH TYR A 59 15.326 20.118 -12.207 1.00 0.00 H new ATOM 607 N ILE A 60 8.637 19.814 -11.368 1.00 0.00 N ATOM 608 CA ILE A 60 8.472 19.564 -12.807 1.00 0.00 C ATOM 609 C ILE A 60 7.502 20.575 -13.441 1.00 0.00 C ATOM 610 O ILE A 60 7.772 21.051 -14.541 1.00 0.00 O ATOM 611 CB ILE A 60 8.085 18.075 -12.999 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.343 17.203 -12.739 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.472 17.772 -14.377 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.085 15.691 -12.701 1.00 0.00 C ATOM 0 H ILE A 60 8.329 19.031 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 60 9.406 19.726 -13.345 1.00 0.00 H new ATOM 0 HB ILE A 60 7.300 17.836 -12.282 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.079 17.412 -13.516 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.787 17.505 -11.790 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.226 16.712 -14.441 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.566 18.364 -14.510 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.189 18.025 -15.158 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.022 15.167 -12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.376 15.463 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.673 15.368 -13.657 1.00 0.00 H new ATOM 626 N MET A 61 6.450 21.001 -12.735 1.00 0.00 N ATOM 627 CA MET A 61 5.552 22.090 -13.149 1.00 0.00 C ATOM 628 C MET A 61 6.264 23.456 -13.197 1.00 0.00 C ATOM 629 O MET A 61 6.032 24.225 -14.127 1.00 0.00 O ATOM 630 CB MET A 61 4.340 22.107 -12.198 1.00 0.00 C ATOM 631 CG MET A 61 3.280 23.195 -12.420 1.00 0.00 C ATOM 632 SD MET A 61 2.127 22.927 -13.797 1.00 0.00 S ATOM 633 CE MET A 61 2.994 23.790 -15.129 1.00 0.00 C ATOM 0 H MET A 61 6.191 20.590 -11.838 1.00 0.00 H new ATOM 0 HA MET A 61 5.216 21.905 -14.169 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.846 21.138 -12.265 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.714 22.204 -11.179 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.700 23.299 -11.503 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.792 24.143 -12.582 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.302 23.983 -15.949 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.386 24.736 -14.755 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.818 23.172 -15.487 1.00 0.00 H new ATOM 643 N VAL A 62 7.154 23.767 -12.243 1.00 0.00 N ATOM 644 CA VAL A 62 7.883 25.060 -12.179 1.00 0.00 C ATOM 645 C VAL A 62 9.053 25.134 -13.159 1.00 0.00 C ATOM 646 O VAL A 62 9.359 26.200 -13.696 1.00 0.00 O ATOM 647 CB VAL A 62 8.338 25.343 -10.742 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.209 26.590 -10.566 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.112 25.541 -9.856 1.00 0.00 C ATOM 0 H VAL A 62 7.396 23.129 -11.485 1.00 0.00 H new ATOM 0 HA VAL A 62 7.185 25.838 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 62 8.943 24.479 -10.467 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.477 26.701 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.115 26.488 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.655 27.470 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.431 25.742 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.528 26.383 -10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.500 24.639 -9.874 1.00 0.00 H new ATOM 659 N LYS A 63 9.693 23.989 -13.404 1.00 0.00 N ATOM 660 CA LYS A 63 10.818 23.832 -14.348 1.00 0.00 C ATOM 661 C LYS A 63 10.366 23.469 -15.772 1.00 0.00 C ATOM 662 O LYS A 63 11.148 23.594 -16.714 1.00 0.00 O ATOM 663 CB LYS A 63 11.842 22.817 -13.792 1.00 0.00 C ATOM 664 CG LYS A 63 12.445 23.128 -12.404 1.00 0.00 C ATOM 665 CD LYS A 63 12.723 24.614 -12.139 1.00 0.00 C ATOM 666 CE LYS A 63 13.535 24.784 -10.846 1.00 0.00 C ATOM 667 NZ LYS A 63 13.885 26.211 -10.597 1.00 0.00 N ATOM 0 H LYS A 63 9.441 23.116 -12.941 1.00 0.00 H new ATOM 0 HA LYS A 63 11.304 24.804 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.360 21.840 -13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.660 22.733 -14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.764 22.758 -11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.378 22.574 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.270 25.044 -12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.782 25.158 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.962 24.398 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.448 24.191 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.433 26.286 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.453 26.572 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.014 26.772 -10.512 1.00 0.00 H new ATOM 681 N GLN A 64 9.111 23.032 -15.922 1.00 0.00 N ATOM 682 CA GLN A 64 8.495 22.501 -17.142 1.00 0.00 C ATOM 683 C GLN A 64 9.339 21.397 -17.819 1.00 0.00 C ATOM 684 O GLN A 64 9.853 21.573 -18.927 1.00 0.00 O ATOM 685 CB GLN A 64 8.052 23.601 -18.130 1.00 0.00 C ATOM 686 CG GLN A 64 7.044 24.619 -17.571 1.00 0.00 C ATOM 687 CD GLN A 64 7.696 25.820 -16.885 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.628 26.442 -17.382 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.217 26.219 -15.730 1.00 0.00 N ATOM 0 H GLN A 64 8.455 23.041 -15.141 1.00 0.00 H new ATOM 0 HA GLN A 64 7.578 22.014 -16.810 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.937 24.139 -18.469 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.614 23.124 -19.007 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.413 24.976 -18.385 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.391 24.116 -16.858 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.442 25.716 -15.298 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.620 27.032 -15.264 1.00 0.00 H new ATOM 698 N LEU A 65 9.483 20.242 -17.150 1.00 0.00 N ATOM 699 CA LEU A 65 10.214 19.075 -17.685 1.00 0.00 C ATOM 700 C LEU A 65 9.305 18.101 -18.457 1.00 0.00 C ATOM 701 O LEU A 65 9.767 17.079 -18.958 1.00 0.00 O ATOM 702 CB LEU A 65 11.020 18.380 -16.577 1.00 0.00 C ATOM 703 CG LEU A 65 12.044 19.288 -15.871 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.863 18.421 -14.928 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.020 19.982 -16.824 1.00 0.00 C ATOM 0 H LEU A 65 9.095 20.088 -16.219 1.00 0.00 H new ATOM 0 HA LEU A 65 10.924 19.449 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.327 17.987 -15.833 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.545 17.527 -17.007 1.00 0.00 H new ATOM 0 HG LEU A 65 11.479 20.069 -15.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.599 19.038 -14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.203 17.956 -14.196 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.375 17.646 -15.499 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.709 20.603 -16.251 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.584 19.231 -17.378 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.464 20.607 -17.523 1.00 0.00 H new ATOM 717 N TYR A 66 8.014 18.417 -18.562 1.00 0.00 N ATOM 718 CA TYR A 66 7.047 17.716 -19.402 1.00 0.00 C ATOM 719 C TYR A 66 6.993 18.318 -20.815 1.00 0.00 C ATOM 720 O TYR A 66 7.332 19.489 -21.010 1.00 0.00 O ATOM 721 CB TYR A 66 5.671 17.746 -18.719 1.00 0.00 C ATOM 722 CG TYR A 66 5.100 19.146 -18.564 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.391 19.909 -17.416 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.339 19.710 -19.606 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.955 21.245 -17.331 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.897 21.044 -19.523 1.00 0.00 C ATOM 727 CZ TYR A 66 4.216 21.820 -18.386 1.00 0.00 C ATOM 728 OH TYR A 66 3.824 23.122 -18.305 1.00 0.00 O ATOM 0 H TYR A 66 7.601 19.194 -18.047 1.00 0.00 H new ATOM 0 HA TYR A 66 7.360 16.678 -19.519 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.974 17.140 -19.298 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.753 17.285 -17.735 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.948 19.469 -16.602 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.093 19.116 -20.474 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.187 21.832 -16.455 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.316 21.473 -20.326 1.00 0.00 H new ATOM 0 HH TYR A 66 3.325 23.364 -19.113 1.00 0.00 H new ATOM 738 N ASP A 67 6.533 17.543 -21.802 1.00 0.00 N ATOM 739 CA ASP A 67 6.232 18.084 -23.134 1.00 0.00 C ATOM 740 C ASP A 67 4.778 18.591 -23.200 1.00 0.00 C ATOM 741 O ASP A 67 3.860 17.884 -22.786 1.00 0.00 O ATOM 742 CB ASP A 67 6.521 17.051 -24.237 1.00 0.00 C ATOM 743 CG ASP A 67 6.765 17.725 -25.592 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.894 18.510 -26.030 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.809 17.473 -26.235 1.00 0.00 O ATOM 0 H ASP A 67 6.361 16.542 -21.706 1.00 0.00 H new ATOM 0 HA ASP A 67 6.891 18.934 -23.310 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.394 16.459 -23.962 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.681 16.361 -24.319 1.00 0.00 H new ATOM 750 N GLN A 68 4.530 19.780 -23.761 1.00 0.00 N ATOM 751 CA GLN A 68 3.160 20.267 -24.000 1.00 0.00 C ATOM 752 C GLN A 68 2.351 19.388 -24.978 1.00 0.00 C ATOM 753 O GLN A 68 1.120 19.445 -24.996 1.00 0.00 O ATOM 754 CB GLN A 68 3.186 21.723 -24.502 1.00 0.00 C ATOM 755 CG GLN A 68 3.715 21.931 -25.940 1.00 0.00 C ATOM 756 CD GLN A 68 5.211 22.255 -25.993 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.616 23.409 -25.917 1.00 0.00 O ATOM 758 NE2 GLN A 68 6.102 21.291 -26.108 1.00 0.00 N ATOM 0 H GLN A 68 5.260 20.427 -24.060 1.00 0.00 H new ATOM 0 HA GLN A 68 2.650 20.212 -23.038 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.174 22.125 -24.446 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.801 22.311 -23.821 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.524 21.031 -26.524 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.158 22.741 -26.411 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.797 20.320 -26.173 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.097 21.516 -26.132 1.00 0.00 H new ATOM 767 N GLN A 69 3.036 18.598 -25.813 1.00 0.00 N ATOM 768 CA GLN A 69 2.432 17.717 -26.805 1.00 0.00 C ATOM 769 C GLN A 69 1.993 16.384 -26.169 1.00 0.00 C ATOM 770 O GLN A 69 1.004 15.771 -26.571 1.00 0.00 O ATOM 771 CB GLN A 69 3.481 17.414 -27.888 1.00 0.00 C ATOM 772 CG GLN A 69 4.044 18.661 -28.584 1.00 0.00 C ATOM 773 CD GLN A 69 5.231 18.319 -29.479 1.00 0.00 C ATOM 774 OE1 GLN A 69 5.129 18.220 -30.697 1.00 0.00 O ATOM 775 NE2 GLN A 69 6.400 18.123 -28.908 1.00 0.00 N ATOM 0 H GLN A 69 4.055 18.557 -25.813 1.00 0.00 H new ATOM 0 HA GLN A 69 1.556 18.211 -27.225 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.304 16.861 -27.436 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.034 16.763 -28.639 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.261 19.130 -29.181 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.352 19.389 -27.834 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.493 18.204 -27.895 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.213 17.891 -29.478 1.00 0.00 H new ATOM 784 N GLU A 70 2.782 15.938 -25.186 1.00 0.00 N ATOM 785 CA GLU A 70 2.758 14.626 -24.534 1.00 0.00 C ATOM 786 C GLU A 70 3.187 14.777 -23.064 1.00 0.00 C ATOM 787 O GLU A 70 4.312 14.444 -22.694 1.00 0.00 O ATOM 788 CB GLU A 70 3.697 13.664 -25.295 1.00 0.00 C ATOM 789 CG GLU A 70 3.135 13.241 -26.658 1.00 0.00 C ATOM 790 CD GLU A 70 3.869 12.001 -27.199 1.00 0.00 C ATOM 791 OE1 GLU A 70 3.451 10.864 -26.866 1.00 0.00 O ATOM 792 OE2 GLU A 70 4.855 12.150 -27.962 1.00 0.00 O ATOM 0 H GLU A 70 3.512 16.533 -24.795 1.00 0.00 H new ATOM 0 HA GLU A 70 1.750 14.212 -24.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.664 14.146 -25.439 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.871 12.776 -24.687 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.071 13.026 -26.565 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.233 14.064 -27.366 1.00 0.00 H new ATOM 799 N GLN A 71 2.294 15.284 -22.205 1.00 0.00 N ATOM 800 CA GLN A 71 2.570 15.522 -20.782 1.00 0.00 C ATOM 801 C GLN A 71 2.969 14.242 -20.024 1.00 0.00 C ATOM 802 O GLN A 71 3.670 14.309 -19.013 1.00 0.00 O ATOM 803 CB GLN A 71 1.335 16.154 -20.117 1.00 0.00 C ATOM 804 CG GLN A 71 1.083 17.612 -20.536 1.00 0.00 C ATOM 805 CD GLN A 71 0.398 17.837 -21.887 1.00 0.00 C ATOM 806 OE1 GLN A 71 0.056 16.930 -22.637 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.147 19.078 -22.242 1.00 0.00 N ATOM 0 H GLN A 71 1.347 15.544 -22.482 1.00 0.00 H new ATOM 0 HA GLN A 71 3.422 16.200 -20.730 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.456 15.558 -20.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.455 16.112 -19.034 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.476 18.086 -19.765 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.041 18.131 -20.551 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.423 19.848 -21.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.324 19.270 -23.126 1.00 0.00 H new ATOM 816 N HIS A 72 2.568 13.074 -20.540 1.00 0.00 N ATOM 817 CA HIS A 72 2.998 11.765 -20.048 1.00 0.00 C ATOM 818 C HIS A 72 4.495 11.475 -20.256 1.00 0.00 C ATOM 819 O HIS A 72 5.037 10.668 -19.506 1.00 0.00 O ATOM 820 CB HIS A 72 2.113 10.666 -20.668 1.00 0.00 C ATOM 821 CG HIS A 72 1.872 10.774 -22.159 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.644 11.079 -22.753 1.00 0.00 N ATOM 823 CD2 HIS A 72 2.798 10.587 -23.144 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.853 11.047 -24.081 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.136 10.746 -24.341 1.00 0.00 N ATOM 0 H HIS A 72 1.922 13.014 -21.327 1.00 0.00 H new ATOM 0 HA HIS A 72 2.868 11.773 -18.966 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.571 9.699 -20.463 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.148 10.675 -20.162 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.845 10.359 -23.011 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.098 11.236 -24.830 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.550 10.651 -25.268 1.00 0.00 H new ATOM 833 N MET A 73 5.171 12.123 -21.214 1.00 0.00 N ATOM 834 CA MET A 73 6.631 12.083 -21.383 1.00 0.00 C ATOM 835 C MET A 73 7.292 13.167 -20.519 1.00 0.00 C ATOM 836 O MET A 73 6.893 14.337 -20.528 1.00 0.00 O ATOM 837 CB MET A 73 7.008 12.179 -22.876 1.00 0.00 C ATOM 838 CG MET A 73 8.422 12.703 -23.200 1.00 0.00 C ATOM 839 SD MET A 73 9.876 11.909 -22.445 1.00 0.00 S ATOM 840 CE MET A 73 9.784 10.224 -23.102 1.00 0.00 C ATOM 0 H MET A 73 4.706 12.705 -21.911 1.00 0.00 H new ATOM 0 HA MET A 73 7.015 11.125 -21.033 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.902 11.188 -23.318 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.283 12.827 -23.369 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.548 12.651 -24.281 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.449 13.758 -22.926 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.617 9.637 -22.716 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.844 9.765 -22.796 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.835 10.255 -24.190 1.00 0.00 H new ATOM 850 N VAL A 74 8.326 12.763 -19.783 1.00 0.00 N ATOM 851 CA VAL A 74 9.075 13.566 -18.818 1.00 0.00 C ATOM 852 C VAL A 74 10.560 13.538 -19.193 1.00 0.00 C ATOM 853 O VAL A 74 11.232 12.507 -19.103 1.00 0.00 O ATOM 854 CB VAL A 74 8.853 13.044 -17.383 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.386 14.067 -16.374 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.376 12.770 -17.066 1.00 0.00 C ATOM 0 H VAL A 74 8.684 11.810 -19.848 1.00 0.00 H new ATOM 0 HA VAL A 74 8.719 14.596 -18.846 1.00 0.00 H new ATOM 0 HB VAL A 74 9.390 12.099 -17.309 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.228 13.696 -15.361 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.452 14.222 -16.541 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.858 15.012 -16.501 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.285 12.405 -16.043 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.804 13.691 -17.175 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.989 12.019 -17.755 1.00 0.00 H new ATOM 866 N TYR A 75 11.081 14.687 -19.620 1.00 0.00 N ATOM 867 CA TYR A 75 12.450 14.870 -20.100 1.00 0.00 C ATOM 868 C TYR A 75 13.405 15.242 -18.951 1.00 0.00 C ATOM 869 O TYR A 75 14.052 16.291 -18.953 1.00 0.00 O ATOM 870 CB TYR A 75 12.450 15.868 -21.272 1.00 0.00 C ATOM 871 CG TYR A 75 13.787 15.988 -21.986 1.00 0.00 C ATOM 872 CD1 TYR A 75 14.262 14.915 -22.765 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.565 17.157 -21.855 1.00 0.00 C ATOM 874 CE1 TYR A 75 15.518 15.002 -23.398 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.822 17.248 -22.486 1.00 0.00 C ATOM 876 CZ TYR A 75 16.304 16.167 -23.257 1.00 0.00 C ATOM 877 OH TYR A 75 17.520 16.240 -23.868 1.00 0.00 O ATOM 0 H TYR A 75 10.539 15.551 -19.642 1.00 0.00 H new ATOM 0 HA TYR A 75 12.839 13.928 -20.486 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.691 15.565 -21.993 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.160 16.850 -20.899 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.662 14.024 -22.877 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.196 17.986 -21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.880 14.176 -23.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.416 18.144 -22.380 1.00 0.00 H new ATOM 0 HH TYR A 75 17.933 17.107 -23.673 1.00 0.00 H new ATOM 887 N CYS A 76 13.510 14.373 -17.938 1.00 0.00 N ATOM 888 CA CYS A 76 14.519 14.539 -16.886 1.00 0.00 C ATOM 889 C CYS A 76 15.950 14.230 -17.369 1.00 0.00 C ATOM 890 O CYS A 76 16.892 14.497 -16.631 1.00 0.00 O ATOM 891 CB CYS A 76 14.134 13.768 -15.615 1.00 0.00 C ATOM 892 SG CYS A 76 12.827 14.645 -14.707 1.00 0.00 S ATOM 0 H CYS A 76 12.913 13.554 -17.825 1.00 0.00 H new ATOM 0 HA CYS A 76 14.532 15.597 -16.623 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.792 12.767 -15.880 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.009 13.647 -14.977 1.00 0.00 H new ATOM 0 HG CYS A 76 12.516 13.974 -13.638 1.00 0.00 H new ATOM 898 N GLY A 77 16.168 13.767 -18.608 1.00 0.00 N ATOM 899 CA GLY A 77 17.507 13.659 -19.207 1.00 0.00 C ATOM 900 C GLY A 77 18.259 15.001 -19.296 1.00 0.00 C ATOM 901 O GLY A 77 19.491 15.014 -19.269 1.00 0.00 O ATOM 0 H GLY A 77 15.418 13.456 -19.226 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.102 12.958 -18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.414 13.238 -20.208 1.00 0.00 H new ATOM 905 N GLY A 78 17.532 16.127 -19.328 1.00 0.00 N ATOM 906 CA GLY A 78 18.069 17.495 -19.238 1.00 0.00 C ATOM 907 C GLY A 78 18.159 18.076 -17.812 1.00 0.00 C ATOM 908 O GLY A 78 18.449 19.263 -17.657 1.00 0.00 O ATOM 0 H GLY A 78 16.516 16.111 -19.421 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.065 17.506 -19.681 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.444 18.153 -19.842 1.00 0.00 H new ATOM 912 N ASP A 79 17.882 17.278 -16.776 1.00 0.00 N ATOM 913 CA ASP A 79 17.789 17.685 -15.364 1.00 0.00 C ATOM 914 C ASP A 79 18.928 17.096 -14.503 1.00 0.00 C ATOM 915 O ASP A 79 19.654 16.210 -14.954 1.00 0.00 O ATOM 916 CB ASP A 79 16.411 17.233 -14.856 1.00 0.00 C ATOM 917 CG ASP A 79 16.155 17.625 -13.402 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.033 18.839 -13.128 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.163 16.716 -12.544 1.00 0.00 O ATOM 0 H ASP A 79 17.707 16.281 -16.902 1.00 0.00 H new ATOM 0 HA ASP A 79 17.898 18.767 -15.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.636 17.669 -15.486 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.330 16.150 -14.955 1.00 0.00 H new ATOM 924 N LEU A 80 19.059 17.537 -13.244 1.00 0.00 N ATOM 925 CA LEU A 80 19.930 16.937 -12.220 1.00 0.00 C ATOM 926 C LEU A 80 19.776 15.403 -12.158 1.00 0.00 C ATOM 927 O LEU A 80 20.777 14.690 -12.063 1.00 0.00 O ATOM 928 CB LEU A 80 19.588 17.543 -10.841 1.00 0.00 C ATOM 929 CG LEU A 80 20.273 18.881 -10.505 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.856 20.028 -11.429 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.913 19.278 -9.070 1.00 0.00 C ATOM 0 H LEU A 80 18.545 18.347 -12.898 1.00 0.00 H new ATOM 0 HA LEU A 80 20.963 17.157 -12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.509 17.686 -10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.853 16.818 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 80 21.344 18.724 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.376 20.940 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.114 19.778 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.780 20.184 -11.353 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.394 20.225 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.832 19.386 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.257 18.506 -8.382 1.00 0.00 H new ATOM 943 N LEU A 81 18.545 14.884 -12.277 1.00 0.00 N ATOM 944 CA LEU A 81 18.264 13.439 -12.321 1.00 0.00 C ATOM 945 C LEU A 81 18.870 12.770 -13.578 1.00 0.00 C ATOM 946 O LEU A 81 19.326 11.625 -13.536 1.00 0.00 O ATOM 947 CB LEU A 81 16.733 13.247 -12.211 1.00 0.00 C ATOM 948 CG LEU A 81 16.304 12.060 -11.332 1.00 0.00 C ATOM 949 CD1 LEU A 81 16.511 12.317 -9.839 1.00 0.00 C ATOM 950 CD2 LEU A 81 14.817 11.761 -11.536 1.00 0.00 C ATOM 0 H LEU A 81 17.707 15.461 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 81 18.745 12.937 -11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.292 14.159 -11.809 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.323 13.109 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 81 16.931 11.222 -11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.190 11.444 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.567 12.507 -9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.924 13.183 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.526 10.919 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.229 12.637 -11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.636 11.514 -12.582 1.00 0.00 H new ATOM 962 N GLY A 82 18.934 13.515 -14.681 1.00 0.00 N ATOM 963 CA GLY A 82 19.565 13.144 -15.945 1.00 0.00 C ATOM 964 C GLY A 82 21.092 13.196 -15.929 1.00 0.00 C ATOM 965 O GLY A 82 21.716 12.316 -16.514 1.00 0.00 O ATOM 0 H GLY A 82 18.523 14.448 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.251 12.135 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.199 13.808 -16.728 1.00 0.00 H new ATOM 969 N GLU A 83 21.717 14.135 -15.212 1.00 0.00 N ATOM 970 CA GLU A 83 23.174 14.113 -14.978 1.00 0.00 C ATOM 971 C GLU A 83 23.555 12.900 -14.125 1.00 0.00 C ATOM 972 O GLU A 83 24.530 12.196 -14.397 1.00 0.00 O ATOM 973 CB GLU A 83 23.642 15.363 -14.217 1.00 0.00 C ATOM 974 CG GLU A 83 22.961 16.640 -14.669 1.00 0.00 C ATOM 975 CD GLU A 83 23.692 17.890 -14.145 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.498 18.273 -12.965 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.477 18.503 -14.911 1.00 0.00 O ATOM 0 H GLU A 83 21.239 14.925 -14.780 1.00 0.00 H new ATOM 0 HA GLU A 83 23.650 14.073 -15.958 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.457 15.220 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.719 15.472 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.926 16.668 -15.758 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.929 16.647 -14.317 1.00 0.00 H new ATOM 984 N LEU A 84 22.731 12.661 -13.100 1.00 0.00 N ATOM 985 CA LEU A 84 22.867 11.561 -12.152 1.00 0.00 C ATOM 986 C LEU A 84 22.794 10.174 -12.836 1.00 0.00 C ATOM 987 O LEU A 84 23.680 9.350 -12.600 1.00 0.00 O ATOM 988 CB LEU A 84 21.812 11.792 -11.054 1.00 0.00 C ATOM 989 CG LEU A 84 21.536 10.601 -10.135 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.756 10.171 -9.318 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.408 10.956 -9.168 1.00 0.00 C ATOM 0 H LEU A 84 21.923 13.252 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 84 23.858 11.551 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.132 12.634 -10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.876 12.083 -11.531 1.00 0.00 H new ATOM 0 HG LEU A 84 21.263 9.767 -10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.491 9.322 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.563 9.885 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.084 11.000 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.210 10.108 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.701 11.818 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.507 11.196 -9.732 1.00 0.00 H new ATOM 1003 N LEU A 85 21.791 9.909 -13.691 1.00 0.00 N ATOM 1004 CA LEU A 85 21.624 8.594 -14.352 1.00 0.00 C ATOM 1005 C LEU A 85 22.145 8.509 -15.802 1.00 0.00 C ATOM 1006 O LEU A 85 22.207 7.419 -16.370 1.00 0.00 O ATOM 1007 CB LEU A 85 20.148 8.148 -14.227 1.00 0.00 C ATOM 1008 CG LEU A 85 19.904 6.787 -13.536 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.457 5.615 -14.339 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.485 6.717 -12.126 1.00 0.00 C ATOM 0 H LEU A 85 21.076 10.591 -13.945 1.00 0.00 H new ATOM 0 HA LEU A 85 22.271 7.895 -13.822 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.604 8.915 -13.676 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.716 8.107 -15.227 1.00 0.00 H new ATOM 0 HG LEU A 85 18.819 6.708 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.258 4.684 -13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.976 5.585 -15.317 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.533 5.737 -14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.280 5.737 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.562 6.877 -12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.028 7.488 -11.506 1.00 0.00 H new ATOM 1022 N GLY A 86 22.489 9.632 -16.432 1.00 0.00 N ATOM 1023 CA GLY A 86 23.009 9.725 -17.807 1.00 0.00 C ATOM 1024 C GLY A 86 21.957 9.680 -18.930 1.00 0.00 C ATOM 1025 O GLY A 86 22.255 10.100 -20.051 1.00 0.00 O ATOM 0 H GLY A 86 22.412 10.545 -15.983 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.571 10.654 -17.900 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.714 8.909 -17.964 1.00 0.00 H new ATOM 1029 N ARG A 87 20.735 9.188 -18.654 1.00 0.00 N ATOM 1030 CA ARG A 87 19.651 8.996 -19.654 1.00 0.00 C ATOM 1031 C ARG A 87 18.228 9.072 -19.090 1.00 0.00 C ATOM 1032 O ARG A 87 17.316 8.439 -19.615 1.00 0.00 O ATOM 1033 CB ARG A 87 19.888 7.690 -20.455 1.00 0.00 C ATOM 1034 CG ARG A 87 19.540 6.366 -19.743 1.00 0.00 C ATOM 1035 CD ARG A 87 20.415 6.074 -18.514 1.00 0.00 C ATOM 1036 NE ARG A 87 20.421 4.636 -18.178 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.367 3.989 -17.518 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.372 4.606 -16.961 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.318 2.693 -17.401 1.00 0.00 N ATOM 0 H ARG A 87 20.461 8.905 -17.713 1.00 0.00 H new ATOM 0 HA ARG A 87 19.711 9.850 -20.328 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.306 7.745 -21.375 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.938 7.655 -20.745 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.495 6.394 -19.435 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.641 5.545 -20.453 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.435 6.407 -18.706 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.048 6.646 -17.662 1.00 0.00 H new ATOM 0 HE ARG A 87 19.617 4.088 -18.485 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.447 5.621 -17.027 1.00 0.00 H new ATOM 0 HH12 ARG A 87 23.083 4.073 -16.460 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.547 2.172 -17.819 1.00 0.00 H new ATOM 0 HH22 ARG A 87 22.050 2.199 -16.891 1.00 0.00 H new ATOM 1053 N GLN A 88 18.034 9.832 -18.014 1.00 0.00 N ATOM 1054 CA GLN A 88 16.810 9.834 -17.194 1.00 0.00 C ATOM 1055 C GLN A 88 15.552 10.458 -17.845 1.00 0.00 C ATOM 1056 O GLN A 88 14.851 11.233 -17.204 1.00 0.00 O ATOM 1057 CB GLN A 88 17.153 10.429 -15.808 1.00 0.00 C ATOM 1058 CG GLN A 88 16.291 9.954 -14.624 1.00 0.00 C ATOM 1059 CD GLN A 88 16.593 8.526 -14.164 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.088 7.691 -14.903 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.328 8.187 -12.915 1.00 0.00 N ATOM 0 H GLN A 88 18.740 10.484 -17.673 1.00 0.00 H new ATOM 0 HA GLN A 88 16.494 8.796 -17.087 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.195 10.198 -15.586 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.074 11.514 -15.874 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.440 10.634 -13.785 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.240 10.019 -14.905 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.914 8.868 -12.279 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.537 7.244 -12.587 1.00 0.00 H new ATOM 1070 N SER A 89 15.234 10.126 -19.098 1.00 0.00 N ATOM 1071 CA SER A 89 13.953 10.492 -19.743 1.00 0.00 C ATOM 1072 C SER A 89 13.041 9.271 -19.852 1.00 0.00 C ATOM 1073 O SER A 89 13.504 8.154 -20.097 1.00 0.00 O ATOM 1074 CB SER A 89 14.137 11.163 -21.100 1.00 0.00 C ATOM 1075 OG SER A 89 14.952 12.316 -20.945 1.00 0.00 O ATOM 0 H SER A 89 15.856 9.592 -19.705 1.00 0.00 H new ATOM 0 HA SER A 89 13.477 11.233 -19.101 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.598 10.469 -21.803 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.169 11.441 -21.516 1.00 0.00 H new ATOM 0 HG SER A 89 14.629 13.027 -21.537 1.00 0.00 H new ATOM 1081 N PHE A 90 11.739 9.482 -19.657 1.00 0.00 N ATOM 1082 CA PHE A 90 10.761 8.401 -19.475 1.00 0.00 C ATOM 1083 C PHE A 90 9.315 8.837 -19.717 1.00 0.00 C ATOM 1084 O PHE A 90 9.013 10.024 -19.821 1.00 0.00 O ATOM 1085 CB PHE A 90 10.900 7.894 -18.027 1.00 0.00 C ATOM 1086 CG PHE A 90 10.539 8.927 -16.969 1.00 0.00 C ATOM 1087 CD1 PHE A 90 11.507 9.838 -16.498 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.233 8.968 -16.446 1.00 0.00 C ATOM 1089 CE1 PHE A 90 11.181 10.756 -15.483 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.900 9.908 -15.458 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.878 10.786 -14.957 1.00 0.00 C ATOM 0 H PHE A 90 11.327 10.414 -19.620 1.00 0.00 H new ATOM 0 HA PHE A 90 10.973 7.626 -20.212 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.263 7.019 -17.897 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.927 7.567 -17.865 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.502 9.831 -16.918 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.486 8.275 -16.805 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.931 11.437 -15.108 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.889 9.957 -15.081 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.628 11.482 -14.170 1.00 0.00 H new ATOM 1101 N SER A 91 8.413 7.854 -19.739 1.00 0.00 N ATOM 1102 CA SER A 91 6.968 8.064 -19.844 1.00 0.00 C ATOM 1103 C SER A 91 6.225 7.445 -18.654 1.00 0.00 C ATOM 1104 O SER A 91 6.480 6.303 -18.276 1.00 0.00 O ATOM 1105 CB SER A 91 6.492 7.473 -21.173 1.00 0.00 C ATOM 1106 OG SER A 91 6.674 8.419 -22.214 1.00 0.00 O ATOM 0 H SER A 91 8.672 6.869 -19.683 1.00 0.00 H new ATOM 0 HA SER A 91 6.749 9.132 -19.820 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.048 6.562 -21.396 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.440 7.195 -21.102 1.00 0.00 H new ATOM 0 HG SER A 91 6.369 8.035 -23.062 1.00 0.00 H new ATOM 1112 N VAL A 92 5.252 8.169 -18.089 1.00 0.00 N ATOM 1113 CA VAL A 92 4.508 7.761 -16.872 1.00 0.00 C ATOM 1114 C VAL A 92 3.487 6.639 -17.119 1.00 0.00 C ATOM 1115 O VAL A 92 3.136 5.909 -16.192 1.00 0.00 O ATOM 1116 CB VAL A 92 3.814 8.962 -16.195 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.799 10.072 -15.824 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.730 9.581 -17.078 1.00 0.00 C ATOM 0 H VAL A 92 4.948 9.068 -18.462 1.00 0.00 H new ATOM 0 HA VAL A 92 5.267 7.361 -16.200 1.00 0.00 H new ATOM 0 HB VAL A 92 3.365 8.550 -15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.260 10.893 -15.351 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.544 9.681 -15.132 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.295 10.434 -16.724 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.272 10.422 -16.557 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.175 9.931 -18.009 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.969 8.833 -17.298 1.00 0.00 H new ATOM 1128 N LYS A 93 3.049 6.463 -18.376 1.00 0.00 N ATOM 1129 CA LYS A 93 2.153 5.376 -18.825 1.00 0.00 C ATOM 1130 C LYS A 93 2.820 3.990 -18.893 1.00 0.00 C ATOM 1131 O LYS A 93 2.143 2.986 -19.111 1.00 0.00 O ATOM 1132 CB LYS A 93 1.513 5.758 -20.174 1.00 0.00 C ATOM 1133 CG LYS A 93 2.524 5.839 -21.333 1.00 0.00 C ATOM 1134 CD LYS A 93 1.828 6.081 -22.678 1.00 0.00 C ATOM 1135 CE LYS A 93 2.872 6.060 -23.804 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.238 6.202 -25.144 1.00 0.00 N ATOM 0 H LYS A 93 3.315 7.091 -19.134 1.00 0.00 H new ATOM 0 HA LYS A 93 1.381 5.273 -18.063 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.745 5.026 -20.423 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.013 6.721 -20.070 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.234 6.643 -21.141 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.097 4.913 -21.381 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.073 5.314 -22.853 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.311 7.040 -22.665 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.588 6.868 -23.652 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.433 5.126 -23.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.973 6.184 -25.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.574 5.417 -25.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.724 7.105 -25.191 1.00 0.00 H new ATOM 1150 N ASP A 94 4.141 3.942 -18.720 1.00 0.00 N ATOM 1151 CA ASP A 94 4.986 2.748 -18.752 1.00 0.00 C ATOM 1152 C ASP A 94 5.652 2.562 -17.368 1.00 0.00 C ATOM 1153 O ASP A 94 6.770 3.036 -17.144 1.00 0.00 O ATOM 1154 CB ASP A 94 5.969 2.875 -19.930 1.00 0.00 C ATOM 1155 CG ASP A 94 6.699 1.558 -20.260 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.380 0.496 -19.673 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.575 1.577 -21.159 1.00 0.00 O ATOM 0 H ASP A 94 4.683 4.788 -18.543 1.00 0.00 H new ATOM 0 HA ASP A 94 4.412 1.839 -18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.426 3.212 -20.813 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.707 3.643 -19.697 1.00 0.00 H new ATOM 1162 N PRO A 95 4.950 1.952 -16.389 1.00 0.00 N ATOM 1163 CA PRO A 95 5.383 1.910 -14.990 1.00 0.00 C ATOM 1164 C PRO A 95 6.656 1.091 -14.740 1.00 0.00 C ATOM 1165 O PRO A 95 7.428 1.457 -13.858 1.00 0.00 O ATOM 1166 CB PRO A 95 4.188 1.353 -14.204 1.00 0.00 C ATOM 1167 CG PRO A 95 3.397 0.568 -15.250 1.00 0.00 C ATOM 1168 CD PRO A 95 3.605 1.412 -16.504 1.00 0.00 C ATOM 0 HA PRO A 95 5.665 2.912 -14.667 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.512 0.712 -13.384 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.589 2.152 -13.767 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.777 -0.446 -15.373 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.343 0.483 -14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.500 0.808 -17.405 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.865 2.210 -16.567 1.00 0.00 H new ATOM 1176 N SER A 96 6.926 0.023 -15.500 1.00 0.00 N ATOM 1177 CA SER A 96 8.095 -0.849 -15.272 1.00 0.00 C ATOM 1178 C SER A 96 9.444 -0.105 -15.294 1.00 0.00 C ATOM 1179 O SER A 96 10.167 -0.185 -14.295 1.00 0.00 O ATOM 1180 CB SER A 96 8.119 -2.026 -16.255 1.00 0.00 C ATOM 1181 OG SER A 96 6.950 -2.822 -16.103 1.00 0.00 O ATOM 0 H SER A 96 6.346 -0.264 -16.288 1.00 0.00 H new ATOM 0 HA SER A 96 7.971 -1.232 -14.259 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.183 -1.653 -17.277 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.006 -2.635 -16.082 1.00 0.00 H new ATOM 0 HG SER A 96 6.978 -3.568 -16.737 1.00 0.00 H new ATOM 1187 N PRO A 97 9.803 0.666 -16.346 1.00 0.00 N ATOM 1188 CA PRO A 97 11.039 1.450 -16.349 1.00 0.00 C ATOM 1189 C PRO A 97 11.040 2.585 -15.309 1.00 0.00 C ATOM 1190 O PRO A 97 12.099 2.936 -14.791 1.00 0.00 O ATOM 1191 CB PRO A 97 11.187 1.993 -17.776 1.00 0.00 C ATOM 1192 CG PRO A 97 9.753 2.023 -18.301 1.00 0.00 C ATOM 1193 CD PRO A 97 9.148 0.787 -17.643 1.00 0.00 C ATOM 0 HA PRO A 97 11.883 0.822 -16.064 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.637 2.986 -17.782 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.823 1.351 -18.385 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.232 2.936 -18.012 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.716 1.966 -19.389 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.069 0.894 -17.528 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.317 -0.102 -18.251 1.00 0.00 H new ATOM 1201 N LEU A 98 9.875 3.138 -14.947 1.00 0.00 N ATOM 1202 CA LEU A 98 9.757 4.171 -13.924 1.00 0.00 C ATOM 1203 C LEU A 98 10.048 3.605 -12.524 1.00 0.00 C ATOM 1204 O LEU A 98 10.832 4.195 -11.783 1.00 0.00 O ATOM 1205 CB LEU A 98 8.381 4.838 -14.105 1.00 0.00 C ATOM 1206 CG LEU A 98 7.968 5.788 -12.977 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.961 6.926 -12.737 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.613 6.417 -13.302 1.00 0.00 C ATOM 0 H LEU A 98 8.982 2.874 -15.364 1.00 0.00 H new ATOM 0 HA LEU A 98 10.512 4.950 -14.035 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.383 5.392 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.625 4.058 -14.197 1.00 0.00 H new ATOM 0 HG LEU A 98 7.931 5.178 -12.074 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.602 7.557 -11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.933 6.511 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.057 7.523 -13.644 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.323 7.092 -12.497 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.685 6.975 -14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.863 5.633 -13.406 1.00 0.00 H new ATOM 1220 N TYR A 99 9.526 2.424 -12.188 1.00 0.00 N ATOM 1221 CA TYR A 99 9.888 1.715 -10.957 1.00 0.00 C ATOM 1222 C TYR A 99 11.358 1.258 -10.956 1.00 0.00 C ATOM 1223 O TYR A 99 12.003 1.320 -9.912 1.00 0.00 O ATOM 1224 CB TYR A 99 8.915 0.553 -10.708 1.00 0.00 C ATOM 1225 CG TYR A 99 7.674 0.962 -9.926 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.679 1.760 -10.526 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.531 0.566 -8.580 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.545 2.156 -9.790 1.00 0.00 C ATOM 1229 CE2 TYR A 99 6.398 0.959 -7.840 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.401 1.757 -8.444 1.00 0.00 C ATOM 1231 OH TYR A 99 4.301 2.145 -7.739 1.00 0.00 O ATOM 0 H TYR A 99 8.841 1.931 -12.761 1.00 0.00 H new ATOM 0 HA TYR A 99 9.797 2.414 -10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.610 0.133 -11.666 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.434 -0.236 -10.165 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.787 2.069 -11.555 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.293 -0.041 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.785 2.766 -10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.292 0.650 -6.811 1.00 0.00 H new ATOM 0 HH TYR A 99 4.353 1.787 -6.828 1.00 0.00 H new ATOM 1241 N ASP A 100 11.928 0.880 -12.106 1.00 0.00 N ATOM 1242 CA ASP A 100 13.352 0.530 -12.225 1.00 0.00 C ATOM 1243 C ASP A 100 14.281 1.716 -11.906 1.00 0.00 C ATOM 1244 O ASP A 100 15.207 1.581 -11.103 1.00 0.00 O ATOM 1245 CB ASP A 100 13.637 0.002 -13.634 1.00 0.00 C ATOM 1246 CG ASP A 100 15.039 -0.621 -13.723 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.234 -1.749 -13.210 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.949 0.008 -14.315 1.00 0.00 O ATOM 0 H ASP A 100 11.415 0.807 -12.984 1.00 0.00 H new ATOM 0 HA ASP A 100 13.560 -0.245 -11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.888 -0.742 -13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.552 0.816 -14.354 1.00 0.00 H new ATOM 1253 N MET A 101 13.993 2.896 -12.469 1.00 0.00 N ATOM 1254 CA MET A 101 14.672 4.153 -12.104 1.00 0.00 C ATOM 1255 C MET A 101 14.476 4.492 -10.623 1.00 0.00 C ATOM 1256 O MET A 101 15.449 4.761 -9.920 1.00 0.00 O ATOM 1257 CB MET A 101 14.082 5.324 -12.895 1.00 0.00 C ATOM 1258 CG MET A 101 14.434 5.400 -14.381 1.00 0.00 C ATOM 1259 SD MET A 101 13.840 6.932 -15.169 1.00 0.00 S ATOM 1260 CE MET A 101 12.089 6.970 -14.690 1.00 0.00 C ATOM 0 H MET A 101 13.282 3.010 -13.192 1.00 0.00 H new ATOM 0 HA MET A 101 15.730 4.008 -12.324 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.997 5.282 -12.805 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.406 6.251 -12.422 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.516 5.333 -14.498 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.004 4.541 -14.896 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.778 8.002 -14.531 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.485 6.527 -15.482 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.951 6.404 -13.769 1.00 0.00 H new ATOM 1270 N LEU A 102 13.234 4.465 -10.128 1.00 0.00 N ATOM 1271 CA LEU A 102 12.904 4.832 -8.749 1.00 0.00 C ATOM 1272 C LEU A 102 13.628 3.943 -7.741 1.00 0.00 C ATOM 1273 O LEU A 102 14.290 4.486 -6.867 1.00 0.00 O ATOM 1274 CB LEU A 102 11.378 4.818 -8.538 1.00 0.00 C ATOM 1275 CG LEU A 102 10.650 6.038 -9.135 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.145 5.790 -9.107 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.929 7.314 -8.336 1.00 0.00 C ATOM 0 H LEU A 102 12.423 4.185 -10.679 1.00 0.00 H new ATOM 0 HA LEU A 102 13.255 5.849 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.969 3.911 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.170 4.771 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 102 11.014 6.171 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.626 6.651 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.912 4.902 -9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.820 5.639 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.398 8.151 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.589 7.182 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.000 7.519 -8.340 1.00 0.00 H new ATOM 1289 N ARG A 103 13.659 2.620 -7.921 1.00 0.00 N ATOM 1290 CA ARG A 103 14.413 1.696 -7.045 1.00 0.00 C ATOM 1291 C ARG A 103 15.909 2.040 -6.905 1.00 0.00 C ATOM 1292 O ARG A 103 16.505 1.728 -5.874 1.00 0.00 O ATOM 1293 CB ARG A 103 14.232 0.255 -7.553 1.00 0.00 C ATOM 1294 CG ARG A 103 12.866 -0.333 -7.164 1.00 0.00 C ATOM 1295 CD ARG A 103 12.671 -1.710 -7.808 1.00 0.00 C ATOM 1296 NE ARG A 103 11.406 -2.336 -7.373 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.948 -3.522 -7.736 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.595 -4.291 -8.567 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.818 -3.967 -7.266 1.00 0.00 N ATOM 0 H ARG A 103 13.163 2.150 -8.678 1.00 0.00 H new ATOM 0 HA ARG A 103 13.999 1.803 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.337 0.239 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.025 -0.373 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.796 -0.419 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.070 0.340 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.674 -1.609 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.508 -2.357 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 103 10.827 -1.799 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.485 -3.983 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.211 -5.200 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.279 -3.399 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.472 -4.883 -7.552 1.00 0.00 H new ATOM 1313 N LYS A 104 16.500 2.718 -7.900 1.00 0.00 N ATOM 1314 CA LYS A 104 17.888 3.232 -7.879 1.00 0.00 C ATOM 1315 C LYS A 104 18.028 4.694 -7.416 1.00 0.00 C ATOM 1316 O LYS A 104 19.138 5.103 -7.080 1.00 0.00 O ATOM 1317 CB LYS A 104 18.523 3.028 -9.271 1.00 0.00 C ATOM 1318 CG LYS A 104 18.574 1.569 -9.760 1.00 0.00 C ATOM 1319 CD LYS A 104 19.391 0.631 -8.856 1.00 0.00 C ATOM 1320 CE LYS A 104 19.539 -0.737 -9.539 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.342 -1.687 -8.721 1.00 0.00 N ATOM 0 H LYS A 104 16.015 2.933 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 104 18.422 2.655 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.965 3.619 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.538 3.424 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.556 1.187 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.998 1.548 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.374 1.061 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.897 0.516 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.551 -1.160 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 104 20.013 -0.607 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.532 -2.547 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.243 -1.241 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.813 -1.938 -7.861 1.00 0.00 H new ATOM 1335 N ASN A 105 16.946 5.486 -7.399 1.00 0.00 N ATOM 1336 CA ASN A 105 16.997 6.942 -7.143 1.00 0.00 C ATOM 1337 C ASN A 105 16.222 7.376 -5.874 1.00 0.00 C ATOM 1338 O ASN A 105 16.724 8.175 -5.084 1.00 0.00 O ATOM 1339 CB ASN A 105 16.536 7.669 -8.429 1.00 0.00 C ATOM 1340 CG ASN A 105 17.562 7.597 -9.548 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.365 8.490 -9.738 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.576 6.538 -10.324 1.00 0.00 N ATOM 0 H ASN A 105 16.002 5.136 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 105 18.023 7.231 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.599 7.230 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.332 8.714 -8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.257 6.469 -11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.906 5.785 -10.171 1.00 0.00 H new ATOM 1349 N LEU A 106 15.033 6.822 -5.633 1.00 0.00 N ATOM 1350 CA LEU A 106 14.250 6.934 -4.398 1.00 0.00 C ATOM 1351 C LEU A 106 14.412 5.620 -3.612 1.00 0.00 C ATOM 1352 O LEU A 106 13.734 4.628 -3.883 1.00 0.00 O ATOM 1353 CB LEU A 106 12.785 7.257 -4.770 1.00 0.00 C ATOM 1354 CG LEU A 106 11.788 7.264 -3.591 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.205 8.225 -2.477 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.403 7.684 -4.087 1.00 0.00 C ATOM 0 H LEU A 106 14.562 6.250 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 106 14.597 7.743 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.758 8.234 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.446 6.528 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 106 11.773 6.252 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.470 8.191 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.181 7.931 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.262 9.239 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.703 7.687 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.459 8.684 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.059 6.981 -4.845 1.00 0.00 H new ATOM 1368 N VAL A 107 15.349 5.604 -2.657 1.00 0.00 N ATOM 1369 CA VAL A 107 15.760 4.377 -1.948 1.00 0.00 C ATOM 1370 C VAL A 107 14.576 3.760 -1.186 1.00 0.00 C ATOM 1371 O VAL A 107 13.795 4.460 -0.534 1.00 0.00 O ATOM 1372 CB VAL A 107 16.979 4.619 -1.031 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.520 3.308 -0.445 1.00 0.00 C ATOM 1374 CG2 VAL A 107 18.141 5.277 -1.795 1.00 0.00 C ATOM 0 H VAL A 107 15.847 6.440 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 107 16.080 3.654 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 107 16.622 5.274 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 107 18.377 3.521 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.741 2.823 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.827 2.647 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 107 18.981 5.432 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 107 18.451 4.629 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.816 6.237 -2.195 1.00 0.00 H new ATOM 1384 N THR A 108 14.443 2.438 -1.311 1.00 0.00 N ATOM 1385 CA THR A 108 13.299 1.629 -0.858 1.00 0.00 C ATOM 1386 C THR A 108 13.757 0.238 -0.394 1.00 0.00 C ATOM 1387 O THR A 108 14.954 -0.042 -0.303 1.00 0.00 O ATOM 1388 CB THR A 108 12.246 1.566 -1.985 1.00 0.00 C ATOM 1389 OG1 THR A 108 11.023 1.059 -1.491 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.668 0.672 -3.152 1.00 0.00 C ATOM 0 H THR A 108 15.165 1.869 -1.753 1.00 0.00 H new ATOM 0 HA THR A 108 12.835 2.097 0.010 1.00 0.00 H new ATOM 0 HB THR A 108 12.141 2.590 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.365 1.027 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.885 0.670 -3.911 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.593 1.052 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.827 -0.345 -2.792 1.00 0.00 H new ATOM 1398 N LEU A 109 12.808 -0.650 -0.098 1.00 0.00 N ATOM 1399 CA LEU A 109 13.007 -1.953 0.547 1.00 0.00 C ATOM 1400 C LEU A 109 13.426 -3.083 -0.416 1.00 0.00 C ATOM 1401 O LEU A 109 13.180 -4.267 -0.171 1.00 0.00 O ATOM 1402 CB LEU A 109 11.749 -2.284 1.371 1.00 0.00 C ATOM 1403 CG LEU A 109 11.307 -1.283 2.467 1.00 0.00 C ATOM 1404 CD1 LEU A 109 12.472 -0.546 3.131 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.310 -0.238 1.960 1.00 0.00 C ATOM 0 H LEU A 109 11.827 -0.473 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 109 13.866 -1.878 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.918 -2.405 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.909 -3.251 1.848 1.00 0.00 H new ATOM 0 HG LEU A 109 10.822 -1.918 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.086 0.138 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 109 13.139 -1.269 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 109 13.022 0.019 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.040 0.433 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.764 0.337 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.415 -0.738 1.590 1.00 0.00 H new ATOM 1417 N ALA A 110 14.058 -2.700 -1.523 1.00 0.00 N ATOM 1418 CA ALA A 110 14.528 -3.564 -2.602 1.00 0.00 C ATOM 1419 C ALA A 110 15.766 -2.962 -3.303 1.00 0.00 C ATOM 1420 O ALA A 110 15.877 -1.739 -3.423 1.00 0.00 O ATOM 1421 CB ALA A 110 13.357 -3.751 -3.571 1.00 0.00 C ATOM 0 H ALA A 110 14.268 -1.718 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 110 14.849 -4.530 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.666 -4.393 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.520 -4.212 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.050 -2.781 -3.962 1.00 0.00 H new ATOM 1427 N THR A 111 16.681 -3.823 -3.773 1.00 0.00 N ATOM 1428 CA THR A 111 17.973 -3.485 -4.419 1.00 0.00 C ATOM 1429 C THR A 111 18.682 -2.263 -3.821 1.00 0.00 C ATOM 1430 O THR A 111 19.152 -2.304 -2.674 1.00 0.00 O ATOM 1431 CB THR A 111 17.852 -3.370 -5.949 1.00 0.00 C ATOM 1432 OG1 THR A 111 19.128 -3.135 -6.514 1.00 0.00 O ATOM 1433 CG2 THR A 111 16.949 -2.243 -6.448 1.00 0.00 C ATOM 0 H THR A 111 16.538 -4.831 -3.713 1.00 0.00 H new ATOM 0 HA THR A 111 18.617 -4.335 -4.196 1.00 0.00 H new ATOM 0 HB THR A 111 17.407 -4.317 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 111 19.191 -3.590 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.931 -2.247 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 111 15.938 -2.391 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.333 -1.286 -6.095 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 2.368 10.499 -12.364 1.00 0.00 N HETATM 1443 C1 44Z A 200 0.955 16.787 -12.420 1.00 0.00 C HETATM 1444 O1 44Z A 200 0.934 17.999 -12.532 1.00 0.00 O HETATM 1445 N1 44Z A 200 -0.086 16.091 -12.904 1.00 0.00 N HETATM 1446 C2 44Z A 200 -0.237 14.633 -12.794 1.00 0.00 C HETATM 1447 C3 44Z A 200 0.664 14.020 -11.703 1.00 0.00 C HETATM 1448 N2 44Z A 200 2.047 14.541 -11.762 1.00 0.00 N HETATM 1449 C4 44Z A 200 2.109 16.029 -11.762 1.00 0.00 C HETATM 1450 C5 44Z A 200 3.160 13.820 -11.460 1.00 0.00 C HETATM 1451 O5 44Z A 200 4.067 14.346 -10.842 1.00 0.00 O HETATM 1452 N3 44Z A 200 3.228 12.518 -11.813 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.526 11.711 -12.746 1.00 0.00 C HETATM 1454 C7 44Z A 200 3.011 10.289 -11.035 1.00 0.00 C HETATM 1455 C8 44Z A 200 3.889 11.570 -10.910 1.00 0.00 C HETATM 1456 CG1 44Z A 200 5.382 11.403 -11.192 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.882 10.570 -12.198 1.00 0.00 C HETATM 1458 CE1 44Z A 200 7.244 10.271 -12.237 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 8.113 10.813 -11.293 1.00 0.00 C HETATM 1460 CL 44Z A 200 9.782 10.360 -11.280 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 7.627 11.699 -10.336 1.00 0.00 C HETATM 1462 CD2 44Z A 200 6.276 12.030 -10.326 1.00 0.00 C HETATM 1463 CG2 44Z A 200 3.645 8.903 -10.793 1.00 0.00 C HETATM 1464 CD3 44Z A 200 3.275 7.815 -11.594 1.00 0.00 C HETATM 1465 CE3 44Z A 200 3.725 6.526 -11.311 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 4.552 6.301 -10.214 1.00 0.00 C HETATM 1467 CE4 44Z A 200 4.942 7.371 -9.410 1.00 0.00 C HETATM 1468 O4 44Z A 200 5.754 7.194 -8.306 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.491 8.657 -9.699 1.00 0.00 C HETATM 1470 CG3 44Z A 200 1.999 12.192 -14.064 1.00 0.00 C HETATM 1471 CD5 44Z A 200 0.986 11.438 -14.673 1.00 0.00 C HETATM 1472 CE5 44Z A 200 0.441 11.814 -15.898 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 0.894 12.960 -16.548 1.00 0.00 C HETATM 1474 CE6 44Z A 200 1.899 13.713 -15.964 1.00 0.00 C HETATM 1475 CD6 44Z A 200 2.467 13.329 -14.748 1.00 0.00 C HETATM 1476 O6 44Z A 200 3.525 14.066 -14.273 1.00 0.00 O HETATM 1477 C9 44Z A 200 4.785 14.108 -14.975 1.00 0.00 C HETATM 1478 CM2 44Z A 200 4.906 15.447 -15.722 1.00 0.00 C HETATM 1479 CM3 44Z A 200 5.889 13.977 -13.916 1.00 0.00 C HETATM 1480 O3 44Z A 200 0.417 13.369 -17.778 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.658 12.693 -18.472 1.00 0.00 C HETATM 1482 CM4 44Z A 200 5.981 5.892 -7.714 1.00 0.00 C