USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -0.775 X(o=2.5,f=3) USER MOD Set 1.2: A 58 TYR OH : rot -125:sc= 2.19 USER MOD Set 1.3: A 87 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.432 USER MOD Set 2.2: A 39 SER OG : rot 91:sc= 0.432 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.4 K(o=2.1,f=-5.2!) USER MOD Set 3.2: A 70 ASN : amide:sc= 1.75 K(o=2.1,f=0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.128 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 4 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.37) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.138 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.0865) USER MOD Single : A 17 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 24 SER OG : rot 171:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -67:sc= 1.25 USER MOD Single : A 38 SER OG : rot -56:sc= -2.04! USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.841) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.12 (180deg=1.1) USER MOD Single : A 45 HIS : no HE2:sc= 0.376 K(o=0.38,f=-4.4!) USER MOD Single : A 49 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : A 50 THR OG1 : rot 71:sc= 1.04 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 160:sc= -1.05 (180deg=-2.25!) USER MOD Single : A 59 TYR OH : rot 145:sc= 0.0322 USER MOD Single : A 60 SER OG : rot 84:sc= 0.0979 USER MOD Single : A 68 TYR OH : rot -132:sc= 1.01 USER MOD Single : A 72 ASN : amide:sc= -0.0503 K(o=-0.05,f=-2.1!) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 80 SER OG : rot -91:sc= 0.544 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 93 LYS NZ :NH3+ 126:sc= 1.27 (180deg=0.0771) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.307 -18.129 17.455 1.00 0.00 N ATOM 2 CA MET A 1 0.041 -16.939 16.652 1.00 0.00 C ATOM 3 C MET A 1 -1.147 -16.517 15.803 1.00 0.00 C ATOM 4 O MET A 1 -2.191 -17.175 15.812 1.00 0.00 O ATOM 5 CB MET A 1 1.252 -17.222 15.757 1.00 0.00 C ATOM 6 CG MET A 1 2.561 -17.320 16.521 1.00 0.00 C ATOM 7 SD MET A 1 3.982 -17.554 15.439 1.00 0.00 S ATOM 8 CE MET A 1 5.327 -17.430 16.616 1.00 0.00 C ATOM 0 H1 MET A 1 -0.242 -17.896 18.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.277 -18.428 17.230 1.00 0.00 H new ATOM 0 H3 MET A 1 0.353 -18.902 17.234 1.00 0.00 H new ATOM 0 HA MET A 1 0.299 -16.128 17.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.085 -18.154 15.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.335 -16.432 15.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.703 -16.413 17.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.505 -18.150 17.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.277 -17.554 16.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.301 -16.452 17.096 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.222 -18.208 17.372 1.00 0.00 H new ATOM 20 N GLY A 2 -0.991 -15.422 15.075 1.00 0.00 N ATOM 21 CA GLY A 2 -2.062 -14.929 14.240 1.00 0.00 C ATOM 22 C GLY A 2 -2.811 -13.789 14.893 1.00 0.00 C ATOM 23 O GLY A 2 -3.659 -14.006 15.762 1.00 0.00 O ATOM 0 H GLY A 2 -0.137 -14.865 15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.654 -14.595 13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.756 -15.741 14.023 1.00 0.00 H new ATOM 27 N HIS A 3 -2.490 -12.572 14.486 1.00 0.00 N ATOM 28 CA HIS A 3 -3.149 -11.392 15.024 1.00 0.00 C ATOM 29 C HIS A 3 -4.477 -11.165 14.322 1.00 0.00 C ATOM 30 O HIS A 3 -4.529 -10.678 13.193 1.00 0.00 O ATOM 31 CB HIS A 3 -2.248 -10.160 14.903 1.00 0.00 C ATOM 32 CG HIS A 3 -1.096 -10.183 15.860 1.00 0.00 C ATOM 33 ND1 HIS A 3 -0.992 -9.328 16.932 1.00 0.00 N ATOM 34 CD2 HIS A 3 -0.012 -10.988 15.917 1.00 0.00 C ATOM 35 CE1 HIS A 3 0.105 -9.607 17.608 1.00 0.00 C ATOM 36 NE2 HIS A 3 0.721 -10.616 17.016 1.00 0.00 N ATOM 0 H HIS A 3 -1.777 -12.375 13.784 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.344 -11.558 16.084 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.866 -10.094 13.884 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.842 -9.263 15.079 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.233 -11.780 15.224 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.444 -9.096 18.497 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.593 -11.045 17.324 1.00 0.00 H new ATOM 45 N HIS A 4 -5.547 -11.536 15.001 1.00 0.00 N ATOM 46 CA HIS A 4 -6.886 -11.450 14.441 1.00 0.00 C ATOM 47 C HIS A 4 -7.437 -10.033 14.547 1.00 0.00 C ATOM 48 O HIS A 4 -8.175 -9.694 15.473 1.00 0.00 O ATOM 49 CB HIS A 4 -7.838 -12.466 15.102 1.00 0.00 C ATOM 50 CG HIS A 4 -7.553 -12.734 16.552 1.00 0.00 C ATOM 51 ND1 HIS A 4 -8.077 -11.988 17.584 1.00 0.00 N ATOM 52 CD2 HIS A 4 -6.776 -13.678 17.135 1.00 0.00 C ATOM 53 CE1 HIS A 4 -7.634 -12.459 18.734 1.00 0.00 C ATOM 54 NE2 HIS A 4 -6.841 -13.484 18.492 1.00 0.00 N ATOM 0 H HIS A 4 -5.515 -11.904 15.952 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.816 -11.703 13.383 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.861 -12.101 15.007 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.783 -13.407 14.554 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.209 -14.443 16.625 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.880 -12.070 19.711 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.356 -14.040 19.196 1.00 0.00 H new ATOM 63 N HIS A 5 -7.051 -9.209 13.584 1.00 0.00 N ATOM 64 CA HIS A 5 -7.498 -7.823 13.515 1.00 0.00 C ATOM 65 C HIS A 5 -8.777 -7.740 12.675 1.00 0.00 C ATOM 66 O HIS A 5 -9.059 -6.732 12.030 1.00 0.00 O ATOM 67 CB HIS A 5 -6.380 -6.960 12.904 1.00 0.00 C ATOM 68 CG HIS A 5 -6.559 -5.475 13.065 1.00 0.00 C ATOM 69 ND1 HIS A 5 -6.061 -4.766 14.135 1.00 0.00 N ATOM 70 CD2 HIS A 5 -7.162 -4.561 12.266 1.00 0.00 C ATOM 71 CE1 HIS A 5 -6.350 -3.487 13.987 1.00 0.00 C ATOM 72 NE2 HIS A 5 -7.017 -3.333 12.862 1.00 0.00 N ATOM 0 H HIS A 5 -6.421 -9.480 12.829 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.719 -7.449 14.515 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.432 -7.247 13.358 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.306 -7.188 11.841 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.665 -4.762 11.331 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.084 -2.698 14.674 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.368 -2.448 12.495 1.00 0.00 H new ATOM 81 N HIS A 6 -9.554 -8.815 12.693 1.00 0.00 N ATOM 82 CA HIS A 6 -10.775 -8.875 11.904 1.00 0.00 C ATOM 83 C HIS A 6 -11.914 -8.166 12.625 1.00 0.00 C ATOM 84 O HIS A 6 -12.530 -8.719 13.536 1.00 0.00 O ATOM 85 CB HIS A 6 -11.171 -10.328 11.606 1.00 0.00 C ATOM 86 CG HIS A 6 -12.328 -10.443 10.656 1.00 0.00 C ATOM 87 ND1 HIS A 6 -13.641 -10.522 11.068 1.00 0.00 N ATOM 88 CD2 HIS A 6 -12.361 -10.463 9.304 1.00 0.00 C ATOM 89 CE1 HIS A 6 -14.428 -10.584 10.011 1.00 0.00 C ATOM 90 NE2 HIS A 6 -13.677 -10.549 8.926 1.00 0.00 N ATOM 0 H HIS A 6 -9.361 -9.652 13.242 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.583 -8.369 10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.312 -10.853 11.188 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.426 -10.827 12.541 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.508 -10.419 8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.506 -10.652 10.030 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.019 -10.581 7.965 1.00 0.00 H new ATOM 99 N HIS A 7 -12.176 -6.935 12.225 1.00 0.00 N ATOM 100 CA HIS A 7 -13.300 -6.185 12.756 1.00 0.00 C ATOM 101 C HIS A 7 -14.435 -6.218 11.742 1.00 0.00 C ATOM 102 O HIS A 7 -14.201 -6.054 10.545 1.00 0.00 O ATOM 103 CB HIS A 7 -12.882 -4.741 13.056 1.00 0.00 C ATOM 104 CG HIS A 7 -13.846 -3.999 13.929 1.00 0.00 C ATOM 105 ND1 HIS A 7 -13.702 -3.911 15.294 1.00 0.00 N ATOM 106 CD2 HIS A 7 -14.958 -3.293 13.625 1.00 0.00 C ATOM 107 CE1 HIS A 7 -14.683 -3.186 15.791 1.00 0.00 C ATOM 108 NE2 HIS A 7 -15.462 -2.796 14.801 1.00 0.00 N ATOM 0 H HIS A 7 -11.623 -6.432 11.531 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.636 -6.636 13.690 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.904 -4.749 13.537 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.771 -4.202 12.115 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.373 -3.147 12.639 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.826 -2.950 16.835 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.299 -2.221 14.894 1.00 0.00 H new ATOM 117 N HIS A 8 -15.652 -6.451 12.207 1.00 0.00 N ATOM 118 CA HIS A 8 -16.795 -6.564 11.313 1.00 0.00 C ATOM 119 C HIS A 8 -17.253 -5.193 10.834 1.00 0.00 C ATOM 120 O HIS A 8 -17.832 -4.416 11.591 1.00 0.00 O ATOM 121 CB HIS A 8 -17.956 -7.299 11.992 1.00 0.00 C ATOM 122 CG HIS A 8 -19.175 -7.438 11.121 1.00 0.00 C ATOM 123 ND1 HIS A 8 -20.395 -6.881 11.436 1.00 0.00 N ATOM 124 CD2 HIS A 8 -19.351 -8.068 9.933 1.00 0.00 C ATOM 125 CE1 HIS A 8 -21.266 -7.162 10.486 1.00 0.00 C ATOM 126 NE2 HIS A 8 -20.661 -7.879 9.557 1.00 0.00 N ATOM 0 H HIS A 8 -15.874 -6.565 13.196 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.477 -7.145 10.447 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.620 -8.291 12.293 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -18.230 -6.766 12.902 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.601 -8.617 9.383 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.302 -6.856 10.471 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -21.092 -8.233 8.703 1.00 0.00 H new ATOM 135 N SER A 9 -16.966 -4.904 9.580 1.00 0.00 N ATOM 136 CA SER A 9 -17.457 -3.701 8.939 1.00 0.00 C ATOM 137 C SER A 9 -18.847 -3.978 8.370 1.00 0.00 C ATOM 138 O SER A 9 -19.287 -5.129 8.334 1.00 0.00 O ATOM 139 CB SER A 9 -16.485 -3.272 7.829 1.00 0.00 C ATOM 140 OG SER A 9 -16.946 -2.120 7.143 1.00 0.00 O ATOM 0 H SER A 9 -16.389 -5.493 8.980 1.00 0.00 H new ATOM 0 HA SER A 9 -17.525 -2.889 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.505 -3.070 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.358 -4.091 7.121 1.00 0.00 H new ATOM 0 HG SER A 9 -16.302 -1.875 6.446 1.00 0.00 H new ATOM 146 N HIS A 10 -19.536 -2.937 7.927 1.00 0.00 N ATOM 147 CA HIS A 10 -20.841 -3.100 7.301 1.00 0.00 C ATOM 148 C HIS A 10 -20.691 -3.537 5.849 1.00 0.00 C ATOM 149 O HIS A 10 -21.682 -3.701 5.137 1.00 0.00 O ATOM 150 CB HIS A 10 -21.648 -1.805 7.385 1.00 0.00 C ATOM 151 CG HIS A 10 -22.734 -1.864 8.409 1.00 0.00 C ATOM 152 ND1 HIS A 10 -24.067 -1.821 8.086 1.00 0.00 N ATOM 153 CD2 HIS A 10 -22.680 -1.986 9.755 1.00 0.00 C ATOM 154 CE1 HIS A 10 -24.787 -1.912 9.183 1.00 0.00 C ATOM 155 NE2 HIS A 10 -23.972 -2.017 10.216 1.00 0.00 N ATOM 0 H HIS A 10 -19.214 -1.971 7.989 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.380 -3.878 7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.977 -0.979 7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -22.086 -1.591 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -21.785 -2.048 10.356 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.866 -1.902 9.231 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.255 -2.106 11.192 1.00 0.00 H new ATOM 164 N ALA A 11 -19.438 -3.706 5.424 1.00 0.00 N ATOM 165 CA ALA A 11 -19.107 -4.217 4.093 1.00 0.00 C ATOM 166 C ALA A 11 -19.490 -3.230 2.995 1.00 0.00 C ATOM 167 O ALA A 11 -19.459 -3.563 1.811 1.00 0.00 O ATOM 168 CB ALA A 11 -19.760 -5.573 3.853 1.00 0.00 C ATOM 0 H ALA A 11 -18.621 -3.491 5.996 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.025 -4.344 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.499 -5.931 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.406 -6.284 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.843 -5.474 3.931 1.00 0.00 H new ATOM 174 N ALA A 12 -19.818 -2.007 3.385 1.00 0.00 N ATOM 175 CA ALA A 12 -20.136 -0.957 2.430 1.00 0.00 C ATOM 176 C ALA A 12 -18.847 -0.293 1.968 1.00 0.00 C ATOM 177 O ALA A 12 -18.669 0.919 2.105 1.00 0.00 O ATOM 178 CB ALA A 12 -21.081 0.063 3.050 1.00 0.00 C ATOM 0 H ALA A 12 -19.871 -1.717 4.361 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.641 -1.393 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -21.307 0.840 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.004 -0.432 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.609 0.512 3.924 1.00 0.00 H new ATOM 184 N VAL A 13 -17.955 -1.115 1.430 1.00 0.00 N ATOM 185 CA VAL A 13 -16.612 -0.687 1.071 1.00 0.00 C ATOM 186 C VAL A 13 -16.614 0.448 0.051 1.00 0.00 C ATOM 187 O VAL A 13 -17.415 0.470 -0.891 1.00 0.00 O ATOM 188 CB VAL A 13 -15.765 -1.863 0.528 1.00 0.00 C ATOM 189 CG1 VAL A 13 -15.562 -2.915 1.605 1.00 0.00 C ATOM 190 CG2 VAL A 13 -16.408 -2.478 -0.708 1.00 0.00 C ATOM 0 H VAL A 13 -18.144 -2.097 1.231 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.162 -0.317 1.992 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.790 -1.471 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.964 -3.734 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.045 -2.470 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.531 -3.297 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.791 -3.302 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.400 -2.852 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.494 -1.722 -1.488 1.00 0.00 H new ATOM 200 N ARG A 14 -15.706 1.386 0.255 1.00 0.00 N ATOM 201 CA ARG A 14 -15.526 2.507 -0.645 1.00 0.00 C ATOM 202 C ARG A 14 -14.050 2.744 -0.863 1.00 0.00 C ATOM 203 O ARG A 14 -13.380 3.414 -0.075 1.00 0.00 O ATOM 204 CB ARG A 14 -16.217 3.760 -0.123 1.00 0.00 C ATOM 205 CG ARG A 14 -17.711 3.743 -0.376 1.00 0.00 C ATOM 206 CD ARG A 14 -18.048 4.011 -1.838 1.00 0.00 C ATOM 207 NE ARG A 14 -17.795 2.847 -2.694 1.00 0.00 N ATOM 208 CZ ARG A 14 -17.487 2.925 -3.990 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.350 4.111 -4.575 1.00 0.00 N ATOM 210 NH2 ARG A 14 -17.322 1.819 -4.708 1.00 0.00 N ATOM 0 H ARG A 14 -15.071 1.390 1.053 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.991 2.267 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.033 3.854 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.780 4.638 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.117 2.775 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.193 4.494 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -19.097 4.297 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.459 4.856 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.858 1.920 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.480 4.965 -4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.114 4.167 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.431 0.905 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.087 1.884 -5.698 1.00 0.00 H new ATOM 224 N LYS A 15 -13.564 2.159 -1.938 1.00 0.00 N ATOM 225 CA LYS A 15 -12.140 2.116 -2.235 1.00 0.00 C ATOM 226 C LYS A 15 -11.553 3.511 -2.411 1.00 0.00 C ATOM 227 O LYS A 15 -12.254 4.459 -2.767 1.00 0.00 O ATOM 228 CB LYS A 15 -11.871 1.313 -3.516 1.00 0.00 C ATOM 229 CG LYS A 15 -12.193 -0.177 -3.446 1.00 0.00 C ATOM 230 CD LYS A 15 -13.690 -0.461 -3.372 1.00 0.00 C ATOM 231 CE LYS A 15 -14.476 0.260 -4.461 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.006 -0.064 -5.832 1.00 0.00 N ATOM 0 H LYS A 15 -14.146 1.696 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.662 1.633 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.452 1.753 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.819 1.426 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.777 -0.674 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.703 -0.608 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.857 -1.535 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.066 -0.157 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.530 -0.002 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.401 1.336 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.823 -0.131 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.365 0.684 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.500 -0.973 -5.820 1.00 0.00 H new ATOM 246 N ILE A 16 -10.262 3.612 -2.157 1.00 0.00 N ATOM 247 CA ILE A 16 -9.496 4.804 -2.465 1.00 0.00 C ATOM 248 C ILE A 16 -8.539 4.501 -3.608 1.00 0.00 C ATOM 249 O ILE A 16 -8.158 3.345 -3.818 1.00 0.00 O ATOM 250 CB ILE A 16 -8.703 5.316 -1.241 1.00 0.00 C ATOM 251 CG1 ILE A 16 -7.925 4.172 -0.579 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.641 5.976 -0.246 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.170 4.582 0.669 1.00 0.00 C ATOM 0 H ILE A 16 -9.713 2.866 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.195 5.589 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.982 6.059 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.621 3.373 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.218 3.762 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.070 6.332 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.143 6.818 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.384 5.252 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.646 3.718 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.448 5.359 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.872 4.964 1.410 1.00 0.00 H new ATOM 265 N HIS A 17 -8.162 5.524 -4.352 1.00 0.00 N ATOM 266 CA HIS A 17 -7.305 5.330 -5.509 1.00 0.00 C ATOM 267 C HIS A 17 -5.862 5.631 -5.137 1.00 0.00 C ATOM 268 O HIS A 17 -5.379 6.749 -5.313 1.00 0.00 O ATOM 269 CB HIS A 17 -7.764 6.221 -6.668 1.00 0.00 C ATOM 270 CG HIS A 17 -7.685 5.561 -8.012 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.467 6.255 -9.184 1.00 0.00 N ATOM 272 CD2 HIS A 17 -7.829 4.262 -8.372 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.481 5.415 -10.202 1.00 0.00 C ATOM 274 NE2 HIS A 17 -7.698 4.198 -9.739 1.00 0.00 N ATOM 0 H HIS A 17 -8.433 6.492 -4.179 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.373 4.291 -5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.793 6.533 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.154 7.125 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.013 3.431 -7.707 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.339 5.679 -11.240 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.759 3.350 -10.303 1.00 0.00 H new ATOM 283 N VAL A 18 -5.187 4.632 -4.590 1.00 0.00 N ATOM 284 CA VAL A 18 -3.822 4.801 -4.122 1.00 0.00 C ATOM 285 C VAL A 18 -2.835 4.651 -5.268 1.00 0.00 C ATOM 286 O VAL A 18 -2.984 3.776 -6.124 1.00 0.00 O ATOM 287 CB VAL A 18 -3.468 3.784 -3.018 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.384 3.955 -1.819 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.536 2.361 -3.555 1.00 0.00 C ATOM 0 H VAL A 18 -5.564 3.693 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.752 5.807 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.445 3.974 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.118 3.228 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.275 4.963 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.418 3.797 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.283 1.660 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.545 2.155 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.829 2.248 -4.377 1.00 0.00 H new ATOM 299 N THR A 19 -1.833 5.505 -5.292 1.00 0.00 N ATOM 300 CA THR A 19 -0.813 5.430 -6.317 1.00 0.00 C ATOM 301 C THR A 19 0.376 4.622 -5.811 1.00 0.00 C ATOM 302 O THR A 19 1.102 5.068 -4.927 1.00 0.00 O ATOM 303 CB THR A 19 -0.348 6.837 -6.725 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.494 7.656 -7.003 1.00 0.00 O ATOM 305 CG2 THR A 19 0.551 6.783 -7.953 1.00 0.00 C ATOM 0 H THR A 19 -1.703 6.257 -4.615 1.00 0.00 H new ATOM 0 HA THR A 19 -1.240 4.937 -7.191 1.00 0.00 H new ATOM 0 HB THR A 19 0.224 7.264 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.199 8.554 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.865 7.792 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.429 6.176 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.003 6.342 -8.786 1.00 0.00 H new ATOM 313 N VAL A 20 0.562 3.434 -6.366 1.00 0.00 N ATOM 314 CA VAL A 20 1.654 2.567 -5.957 1.00 0.00 C ATOM 315 C VAL A 20 2.905 2.892 -6.757 1.00 0.00 C ATOM 316 O VAL A 20 2.947 2.704 -7.975 1.00 0.00 O ATOM 317 CB VAL A 20 1.296 1.077 -6.134 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.445 0.189 -5.683 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.025 0.740 -5.369 1.00 0.00 C ATOM 0 H VAL A 20 -0.030 3.049 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 20 1.838 2.745 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 20 1.120 0.891 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.170 -0.857 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.331 0.410 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.658 0.376 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.213 -0.315 -5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.173 0.945 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.798 1.349 -5.744 1.00 0.00 H new ATOM 329 N LYS A 21 3.912 3.396 -6.068 1.00 0.00 N ATOM 330 CA LYS A 21 5.136 3.829 -6.712 1.00 0.00 C ATOM 331 C LYS A 21 6.242 2.801 -6.530 1.00 0.00 C ATOM 332 O LYS A 21 6.884 2.739 -5.481 1.00 0.00 O ATOM 333 CB LYS A 21 5.571 5.181 -6.146 1.00 0.00 C ATOM 334 CG LYS A 21 4.509 6.261 -6.304 1.00 0.00 C ATOM 335 CD LYS A 21 4.986 7.623 -5.819 1.00 0.00 C ATOM 336 CE LYS A 21 5.984 8.245 -6.779 1.00 0.00 C ATOM 337 NZ LYS A 21 6.272 9.662 -6.439 1.00 0.00 N ATOM 0 H LYS A 21 3.905 3.516 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 21 4.945 3.932 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.810 5.066 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.485 5.501 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.222 6.333 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.617 5.973 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.130 8.288 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.444 7.519 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.911 7.672 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.594 8.188 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.958 10.050 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.392 10.215 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.668 9.715 -5.479 1.00 0.00 H new ATOM 351 N PHE A 22 6.448 1.990 -7.550 1.00 0.00 N ATOM 352 CA PHE A 22 7.487 0.977 -7.526 1.00 0.00 C ATOM 353 C PHE A 22 8.712 1.466 -8.286 1.00 0.00 C ATOM 354 O PHE A 22 8.591 2.265 -9.218 1.00 0.00 O ATOM 355 CB PHE A 22 6.975 -0.318 -8.159 1.00 0.00 C ATOM 356 CG PHE A 22 6.939 -1.480 -7.217 1.00 0.00 C ATOM 357 CD1 PHE A 22 8.048 -2.292 -7.058 1.00 0.00 C ATOM 358 CD2 PHE A 22 5.797 -1.759 -6.491 1.00 0.00 C ATOM 359 CE1 PHE A 22 8.019 -3.362 -6.190 1.00 0.00 C ATOM 360 CE2 PHE A 22 5.763 -2.829 -5.622 1.00 0.00 C ATOM 361 CZ PHE A 22 6.874 -3.631 -5.472 1.00 0.00 C ATOM 0 H PHE A 22 5.905 2.014 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 22 7.761 0.784 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.972 -0.148 -8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.609 -0.571 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.946 -2.085 -7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.924 -1.134 -6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.891 -3.988 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.866 -3.039 -5.059 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.847 -4.470 -4.792 1.00 0.00 H new ATOM 371 N PRO A 23 9.915 1.015 -7.890 1.00 0.00 N ATOM 372 CA PRO A 23 11.143 1.302 -8.635 1.00 0.00 C ATOM 373 C PRO A 23 11.064 0.776 -10.065 1.00 0.00 C ATOM 374 O PRO A 23 11.734 1.282 -10.966 1.00 0.00 O ATOM 375 CB PRO A 23 12.232 0.565 -7.847 1.00 0.00 C ATOM 376 CG PRO A 23 11.661 0.386 -6.482 1.00 0.00 C ATOM 377 CD PRO A 23 10.179 0.226 -6.673 1.00 0.00 C ATOM 0 HA PRO A 23 11.331 2.372 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.470 -0.395 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.157 1.142 -7.816 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.088 -0.489 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.883 1.246 -5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.899 -0.820 -6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.619 0.603 -5.818 1.00 0.00 H new ATOM 385 N SER A 24 10.231 -0.237 -10.261 1.00 0.00 N ATOM 386 CA SER A 24 10.001 -0.794 -11.578 1.00 0.00 C ATOM 387 C SER A 24 9.006 0.070 -12.354 1.00 0.00 C ATOM 388 O SER A 24 9.376 0.753 -13.309 1.00 0.00 O ATOM 389 CB SER A 24 9.491 -2.233 -11.452 1.00 0.00 C ATOM 390 OG SER A 24 8.465 -2.325 -10.474 1.00 0.00 O ATOM 0 H SER A 24 9.702 -0.689 -9.516 1.00 0.00 H new ATOM 0 HA SER A 24 10.941 -0.806 -12.130 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.112 -2.574 -12.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.316 -2.893 -11.182 1.00 0.00 H new ATOM 0 HG SER A 24 8.053 -3.213 -10.515 1.00 0.00 H new ATOM 396 N LYS A 25 7.754 0.065 -11.919 1.00 0.00 N ATOM 397 CA LYS A 25 6.706 0.807 -12.599 1.00 0.00 C ATOM 398 C LYS A 25 5.805 1.518 -11.602 1.00 0.00 C ATOM 399 O LYS A 25 5.956 1.371 -10.393 1.00 0.00 O ATOM 400 CB LYS A 25 5.867 -0.138 -13.451 1.00 0.00 C ATOM 401 CG LYS A 25 5.195 -1.233 -12.640 1.00 0.00 C ATOM 402 CD LYS A 25 4.155 -1.971 -13.457 1.00 0.00 C ATOM 403 CE LYS A 25 3.003 -1.052 -13.809 1.00 0.00 C ATOM 404 NZ LYS A 25 2.109 -1.634 -14.841 1.00 0.00 N ATOM 0 H LYS A 25 7.440 -0.447 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 25 7.181 1.554 -13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.104 0.437 -13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.502 -0.594 -14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.947 -1.938 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.725 -0.797 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.609 -2.359 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.785 -2.829 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.425 -0.838 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.397 -0.101 -14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.337 -0.968 -15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.652 -1.814 -15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.710 -2.528 -14.490 1.00 0.00 H new ATOM 418 N GLN A 26 4.875 2.290 -12.123 1.00 0.00 N ATOM 419 CA GLN A 26 3.897 2.979 -11.300 1.00 0.00 C ATOM 420 C GLN A 26 2.493 2.567 -11.722 1.00 0.00 C ATOM 421 O GLN A 26 2.178 2.558 -12.912 1.00 0.00 O ATOM 422 CB GLN A 26 4.056 4.495 -11.433 1.00 0.00 C ATOM 423 CG GLN A 26 3.185 5.280 -10.465 1.00 0.00 C ATOM 424 CD GLN A 26 3.182 6.768 -10.751 1.00 0.00 C ATOM 425 OE1 GLN A 26 2.333 7.268 -11.487 1.00 0.00 O ATOM 426 NE2 GLN A 26 4.138 7.486 -10.183 1.00 0.00 N ATOM 0 H GLN A 26 4.774 2.459 -13.124 1.00 0.00 H new ATOM 0 HA GLN A 26 4.059 2.704 -10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.100 4.759 -11.267 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.811 4.791 -12.453 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.163 4.903 -10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.537 5.111 -9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.824 7.034 -9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.188 8.491 -10.350 1.00 0.00 H new ATOM 435 N PHE A 27 1.660 2.205 -10.758 1.00 0.00 N ATOM 436 CA PHE A 27 0.291 1.805 -11.054 1.00 0.00 C ATOM 437 C PHE A 27 -0.646 2.192 -9.918 1.00 0.00 C ATOM 438 O PHE A 27 -0.236 2.279 -8.762 1.00 0.00 O ATOM 439 CB PHE A 27 0.210 0.299 -11.341 1.00 0.00 C ATOM 440 CG PHE A 27 0.728 -0.587 -10.238 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.077 -0.897 -10.152 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.138 -1.122 -9.300 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.550 -1.723 -9.150 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.329 -1.946 -8.294 1.00 0.00 C ATOM 445 CZ PHE A 27 1.674 -2.248 -8.220 1.00 0.00 C ATOM 0 H PHE A 27 1.905 2.180 -9.768 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.028 2.337 -11.950 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.829 0.037 -11.539 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.771 0.087 -12.251 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.766 -0.488 -10.876 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.192 -0.892 -9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.603 -1.958 -9.094 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.357 -2.353 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.041 -2.894 -7.436 1.00 0.00 H new ATOM 455 N THR A 28 -1.899 2.441 -10.256 1.00 0.00 N ATOM 456 CA THR A 28 -2.885 2.849 -9.271 1.00 0.00 C ATOM 457 C THR A 28 -3.802 1.676 -8.928 1.00 0.00 C ATOM 458 O THR A 28 -4.250 0.953 -9.818 1.00 0.00 O ATOM 459 CB THR A 28 -3.727 4.019 -9.798 1.00 0.00 C ATOM 460 OG1 THR A 28 -2.950 4.796 -10.725 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.188 4.912 -8.661 1.00 0.00 C ATOM 0 H THR A 28 -2.258 2.368 -11.208 1.00 0.00 H new ATOM 0 HA THR A 28 -2.356 3.171 -8.374 1.00 0.00 H new ATOM 0 HB THR A 28 -4.604 3.609 -10.298 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.491 5.541 -11.061 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.783 5.733 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.793 4.331 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.320 5.314 -8.139 1.00 0.00 H new ATOM 469 N VAL A 29 -4.077 1.487 -7.645 1.00 0.00 N ATOM 470 CA VAL A 29 -4.884 0.357 -7.193 1.00 0.00 C ATOM 471 C VAL A 29 -6.085 0.840 -6.388 1.00 0.00 C ATOM 472 O VAL A 29 -5.999 1.838 -5.669 1.00 0.00 O ATOM 473 CB VAL A 29 -4.048 -0.612 -6.321 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.841 -1.859 -5.949 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.763 -1.003 -7.027 1.00 0.00 C ATOM 0 H VAL A 29 -3.754 2.100 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.230 -0.171 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.798 -0.084 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.222 -2.515 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.730 -1.571 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.140 -2.384 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.193 -1.684 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.001 -1.496 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.170 -0.110 -7.225 1.00 0.00 H new ATOM 485 N GLU A 30 -7.209 0.151 -6.532 1.00 0.00 N ATOM 486 CA GLU A 30 -8.374 0.415 -5.707 1.00 0.00 C ATOM 487 C GLU A 30 -8.355 -0.464 -4.473 1.00 0.00 C ATOM 488 O GLU A 30 -8.597 -1.669 -4.547 1.00 0.00 O ATOM 489 CB GLU A 30 -9.672 0.180 -6.469 1.00 0.00 C ATOM 490 CG GLU A 30 -10.018 1.285 -7.440 1.00 0.00 C ATOM 491 CD GLU A 30 -11.385 1.087 -8.059 1.00 0.00 C ATOM 492 OE1 GLU A 30 -12.389 1.373 -7.379 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.465 0.625 -9.216 1.00 0.00 O ATOM 0 H GLU A 30 -7.336 -0.596 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.332 1.465 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.597 -0.760 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.487 0.069 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.989 2.244 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.265 1.325 -8.228 1.00 0.00 H new ATOM 500 N VAL A 31 -8.058 0.138 -3.348 1.00 0.00 N ATOM 501 CA VAL A 31 -8.082 -0.567 -2.078 1.00 0.00 C ATOM 502 C VAL A 31 -9.030 0.153 -1.135 1.00 0.00 C ATOM 503 O VAL A 31 -9.201 1.363 -1.248 1.00 0.00 O ATOM 504 CB VAL A 31 -6.674 -0.660 -1.445 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.702 -1.345 -2.391 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.159 0.717 -1.061 1.00 0.00 C ATOM 0 H VAL A 31 -7.794 1.121 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.425 -1.586 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.753 -1.260 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.718 -1.399 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.056 -2.352 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.634 -0.775 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.167 0.624 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.102 1.345 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.838 1.171 -0.339 1.00 0.00 H new ATOM 516 N ASP A 32 -9.675 -0.569 -0.236 1.00 0.00 N ATOM 517 CA ASP A 32 -10.621 0.065 0.675 1.00 0.00 C ATOM 518 C ASP A 32 -9.880 0.870 1.740 1.00 0.00 C ATOM 519 O ASP A 32 -8.680 0.697 1.943 1.00 0.00 O ATOM 520 CB ASP A 32 -11.546 -0.961 1.340 1.00 0.00 C ATOM 521 CG ASP A 32 -12.618 -0.291 2.186 1.00 0.00 C ATOM 522 OD1 ASP A 32 -13.603 0.216 1.613 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.451 -0.232 3.423 1.00 0.00 O ATOM 0 H ASP A 32 -9.567 -1.576 -0.115 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.241 0.739 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.019 -1.575 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.956 -1.631 1.965 1.00 0.00 H new ATOM 528 N ARG A 33 -10.603 1.743 2.417 1.00 0.00 N ATOM 529 CA ARG A 33 -10.016 2.623 3.414 1.00 0.00 C ATOM 530 C ARG A 33 -9.693 1.855 4.690 1.00 0.00 C ATOM 531 O ARG A 33 -8.815 2.246 5.460 1.00 0.00 O ATOM 532 CB ARG A 33 -10.977 3.776 3.697 1.00 0.00 C ATOM 533 CG ARG A 33 -11.494 4.402 2.417 1.00 0.00 C ATOM 534 CD ARG A 33 -12.413 5.584 2.660 1.00 0.00 C ATOM 535 NE ARG A 33 -12.871 6.141 1.389 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.632 7.390 0.991 1.00 0.00 C ATOM 537 NH1 ARG A 33 -12.075 8.266 1.815 1.00 0.00 N ATOM 538 NH2 ARG A 33 -12.971 7.771 -0.234 1.00 0.00 N ATOM 0 H ARG A 33 -11.608 1.863 2.293 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.079 3.027 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.817 3.413 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.470 4.534 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.648 4.726 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.028 3.647 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.269 5.271 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.889 6.349 3.232 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.407 5.536 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.825 7.986 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.896 9.220 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.414 7.108 -0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.789 8.727 -0.540 1.00 0.00 H new ATOM 552 N THR A 34 -10.390 0.747 4.903 1.00 0.00 N ATOM 553 CA THR A 34 -10.131 -0.092 6.062 1.00 0.00 C ATOM 554 C THR A 34 -9.226 -1.262 5.695 1.00 0.00 C ATOM 555 O THR A 34 -9.081 -2.217 6.463 1.00 0.00 O ATOM 556 CB THR A 34 -11.433 -0.615 6.701 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.235 -1.321 5.741 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.231 0.534 7.295 1.00 0.00 C ATOM 0 H THR A 34 -11.134 0.411 4.292 1.00 0.00 H new ATOM 0 HA THR A 34 -9.625 0.533 6.798 1.00 0.00 H new ATOM 0 HB THR A 34 -11.159 -1.309 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.557 -0.694 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.147 0.148 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.636 1.033 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.483 1.246 6.509 1.00 0.00 H new ATOM 566 N GLU A 35 -8.613 -1.173 4.519 1.00 0.00 N ATOM 567 CA GLU A 35 -7.653 -2.173 4.066 1.00 0.00 C ATOM 568 C GLU A 35 -6.479 -2.232 5.040 1.00 0.00 C ATOM 569 O GLU A 35 -6.073 -1.205 5.594 1.00 0.00 O ATOM 570 CB GLU A 35 -7.142 -1.809 2.669 1.00 0.00 C ATOM 571 CG GLU A 35 -6.416 -2.936 1.953 1.00 0.00 C ATOM 572 CD GLU A 35 -7.371 -3.952 1.363 1.00 0.00 C ATOM 573 OE1 GLU A 35 -7.825 -3.747 0.218 1.00 0.00 O ATOM 574 OE2 GLU A 35 -7.669 -4.963 2.032 1.00 0.00 O ATOM 0 H GLU A 35 -8.766 -0.412 3.858 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.142 -3.146 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.987 -1.491 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.470 -0.955 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.796 -2.519 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.745 -3.435 2.652 1.00 0.00 H new ATOM 581 N THR A 36 -5.945 -3.421 5.263 1.00 0.00 N ATOM 582 CA THR A 36 -4.803 -3.573 6.147 1.00 0.00 C ATOM 583 C THR A 36 -3.504 -3.410 5.373 1.00 0.00 C ATOM 584 O THR A 36 -3.476 -3.569 4.150 1.00 0.00 O ATOM 585 CB THR A 36 -4.798 -4.945 6.848 1.00 0.00 C ATOM 586 OG1 THR A 36 -4.915 -5.989 5.872 1.00 0.00 O ATOM 587 CG2 THR A 36 -5.926 -5.054 7.863 1.00 0.00 C ATOM 0 H THR A 36 -6.281 -4.289 4.847 1.00 0.00 H new ATOM 0 HA THR A 36 -4.884 -2.795 6.906 1.00 0.00 H new ATOM 0 HB THR A 36 -3.854 -5.049 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.910 -6.860 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.894 -6.034 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.810 -4.279 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.884 -4.928 7.358 1.00 0.00 H new ATOM 595 N VAL A 37 -2.433 -3.097 6.085 1.00 0.00 N ATOM 596 CA VAL A 37 -1.117 -2.973 5.479 1.00 0.00 C ATOM 597 C VAL A 37 -0.706 -4.290 4.818 1.00 0.00 C ATOM 598 O VAL A 37 -0.098 -4.299 3.743 1.00 0.00 O ATOM 599 CB VAL A 37 -0.069 -2.552 6.529 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.327 -2.523 5.931 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.425 -1.194 7.109 1.00 0.00 C ATOM 0 H VAL A 37 -2.450 -2.923 7.090 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.167 -2.199 4.713 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.075 -3.292 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.044 -2.223 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.585 -3.515 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.355 -1.810 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.322 -0.907 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.448 -0.452 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.405 -1.247 7.584 1.00 0.00 H new ATOM 611 N SER A 38 -1.070 -5.398 5.450 1.00 0.00 N ATOM 612 CA SER A 38 -0.788 -6.718 4.910 1.00 0.00 C ATOM 613 C SER A 38 -1.496 -6.939 3.575 1.00 0.00 C ATOM 614 O SER A 38 -0.892 -7.428 2.619 1.00 0.00 O ATOM 615 CB SER A 38 -1.218 -7.790 5.906 1.00 0.00 C ATOM 616 OG SER A 38 -0.563 -7.617 7.146 1.00 0.00 O ATOM 0 H SER A 38 -1.564 -5.406 6.342 1.00 0.00 H new ATOM 0 HA SER A 38 0.286 -6.787 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.297 -7.746 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.991 -8.778 5.505 1.00 0.00 H new ATOM 0 HG SER A 38 0.407 -7.621 7.007 1.00 0.00 H new ATOM 622 N SER A 39 -2.763 -6.549 3.500 1.00 0.00 N ATOM 623 CA SER A 39 -3.556 -6.790 2.310 1.00 0.00 C ATOM 624 C SER A 39 -3.224 -5.763 1.238 1.00 0.00 C ATOM 625 O SER A 39 -3.426 -6.005 0.048 1.00 0.00 O ATOM 626 CB SER A 39 -5.047 -6.767 2.648 1.00 0.00 C ATOM 627 OG SER A 39 -5.371 -7.788 3.579 1.00 0.00 O ATOM 0 H SER A 39 -3.258 -6.066 4.249 1.00 0.00 H new ATOM 0 HA SER A 39 -3.313 -7.779 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.315 -5.795 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.632 -6.900 1.738 1.00 0.00 H new ATOM 0 HG SER A 39 -5.294 -7.436 4.490 1.00 0.00 H new ATOM 633 N LEU A 40 -2.706 -4.616 1.664 1.00 0.00 N ATOM 634 CA LEU A 40 -2.222 -3.615 0.733 1.00 0.00 C ATOM 635 C LEU A 40 -1.034 -4.168 -0.045 1.00 0.00 C ATOM 636 O LEU A 40 -0.986 -4.086 -1.272 1.00 0.00 O ATOM 637 CB LEU A 40 -1.809 -2.342 1.471 1.00 0.00 C ATOM 638 CG LEU A 40 -1.688 -1.113 0.578 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.035 -0.808 -0.043 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.173 0.086 1.360 1.00 0.00 C ATOM 0 H LEU A 40 -2.613 -4.361 2.647 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.028 -3.367 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.538 -2.137 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.852 -2.515 1.963 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.966 -1.323 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.950 0.071 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.362 -1.660 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.763 -0.615 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.097 0.948 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.862 0.314 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.190 -0.143 1.771 1.00 0.00 H new ATOM 652 N LYS A 41 -0.084 -4.749 0.682 1.00 0.00 N ATOM 653 CA LYS A 41 1.082 -5.366 0.063 1.00 0.00 C ATOM 654 C LYS A 41 0.675 -6.596 -0.738 1.00 0.00 C ATOM 655 O LYS A 41 1.276 -6.908 -1.764 1.00 0.00 O ATOM 656 CB LYS A 41 2.115 -5.750 1.125 1.00 0.00 C ATOM 657 CG LYS A 41 2.823 -4.555 1.745 1.00 0.00 C ATOM 658 CD LYS A 41 3.764 -4.970 2.865 1.00 0.00 C ATOM 659 CE LYS A 41 2.999 -5.512 4.062 1.00 0.00 C ATOM 660 NZ LYS A 41 3.904 -6.020 5.130 1.00 0.00 N ATOM 0 H LYS A 41 -0.100 -4.805 1.700 1.00 0.00 H new ATOM 0 HA LYS A 41 1.531 -4.640 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.620 -6.318 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.858 -6.409 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.386 -4.027 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.082 -3.856 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.455 -5.730 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.365 -4.114 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.364 -4.726 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.340 -6.316 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.393 -6.707 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.729 -6.482 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.223 -5.226 5.721 1.00 0.00 H new ATOM 674 N ASP A 42 -0.353 -7.286 -0.262 1.00 0.00 N ATOM 675 CA ASP A 42 -0.883 -8.450 -0.964 1.00 0.00 C ATOM 676 C ASP A 42 -1.441 -8.031 -2.320 1.00 0.00 C ATOM 677 O ASP A 42 -1.161 -8.663 -3.337 1.00 0.00 O ATOM 678 CB ASP A 42 -1.968 -9.130 -0.127 1.00 0.00 C ATOM 679 CG ASP A 42 -2.449 -10.434 -0.734 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.791 -11.476 -0.515 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.498 -10.434 -1.409 1.00 0.00 O ATOM 0 H ASP A 42 -0.837 -7.061 0.607 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.074 -9.163 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.581 -9.322 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.814 -8.452 -0.018 1.00 0.00 H new ATOM 686 N LYS A 43 -2.205 -6.939 -2.321 1.00 0.00 N ATOM 687 CA LYS A 43 -2.753 -6.358 -3.530 1.00 0.00 C ATOM 688 C LYS A 43 -1.642 -6.054 -4.528 1.00 0.00 C ATOM 689 O LYS A 43 -1.721 -6.417 -5.703 1.00 0.00 O ATOM 690 CB LYS A 43 -3.457 -5.063 -3.152 1.00 0.00 C ATOM 691 CG LYS A 43 -4.841 -4.915 -3.732 1.00 0.00 C ATOM 692 CD LYS A 43 -5.905 -4.998 -2.650 1.00 0.00 C ATOM 693 CE LYS A 43 -7.257 -4.518 -3.155 1.00 0.00 C ATOM 694 NZ LYS A 43 -8.334 -4.699 -2.145 1.00 0.00 N ATOM 0 H LYS A 43 -2.459 -6.434 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.448 -7.059 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.523 -5.003 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.846 -4.222 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.920 -3.959 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.012 -5.695 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.991 -6.027 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.601 -4.396 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.188 -3.464 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.518 -5.063 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.057 -3.962 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.770 -5.636 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.930 -4.626 -1.190 1.00 0.00 H new ATOM 708 N ILE A 44 -0.603 -5.393 -4.035 1.00 0.00 N ATOM 709 CA ILE A 44 0.537 -5.013 -4.856 1.00 0.00 C ATOM 710 C ILE A 44 1.244 -6.241 -5.419 1.00 0.00 C ATOM 711 O ILE A 44 1.612 -6.267 -6.590 1.00 0.00 O ATOM 712 CB ILE A 44 1.539 -4.165 -4.047 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.861 -2.885 -3.544 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.763 -3.832 -4.888 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.749 -2.030 -2.668 1.00 0.00 C ATOM 0 H ILE A 44 -0.527 -5.107 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 44 0.156 -4.417 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 44 1.870 -4.744 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.536 -2.296 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.035 -3.155 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.457 -3.233 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.253 -4.755 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.456 -3.269 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.201 -1.143 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.054 -2.601 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.633 -1.729 -3.230 1.00 0.00 H new ATOM 727 N HIS A 45 1.407 -7.264 -4.587 1.00 0.00 N ATOM 728 CA HIS A 45 2.102 -8.480 -4.998 1.00 0.00 C ATOM 729 C HIS A 45 1.376 -9.189 -6.140 1.00 0.00 C ATOM 730 O HIS A 45 1.998 -9.861 -6.957 1.00 0.00 O ATOM 731 CB HIS A 45 2.261 -9.438 -3.817 1.00 0.00 C ATOM 732 CG HIS A 45 3.003 -10.688 -4.174 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.369 -10.734 -4.346 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.552 -11.938 -4.427 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.724 -11.958 -4.690 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.641 -12.710 -4.747 1.00 0.00 N ATOM 0 H HIS A 45 1.068 -7.276 -3.625 1.00 0.00 H new ATOM 0 HA HIS A 45 3.088 -8.180 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.787 -8.927 -3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.275 -9.704 -3.436 1.00 0.00 H new ATOM 0 HD1 HIS A 45 5.006 -9.946 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.524 -12.268 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.732 -12.289 -4.891 1.00 0.00 H new ATOM 745 N ILE A 46 0.062 -9.060 -6.175 1.00 0.00 N ATOM 746 CA ILE A 46 -0.733 -9.688 -7.219 1.00 0.00 C ATOM 747 C ILE A 46 -0.470 -9.028 -8.572 1.00 0.00 C ATOM 748 O ILE A 46 -0.481 -9.689 -9.611 1.00 0.00 O ATOM 749 CB ILE A 46 -2.235 -9.626 -6.874 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.480 -10.360 -5.554 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.080 -10.233 -7.989 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.863 -10.160 -4.987 1.00 0.00 C ATOM 0 H ILE A 46 -0.478 -8.527 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.437 -10.735 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.530 -8.582 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.312 -11.426 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.746 -10.023 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.134 -10.176 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.912 -9.682 -8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.798 -11.276 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.956 -10.712 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.030 -9.099 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.604 -10.524 -5.699 1.00 0.00 H new ATOM 764 N VAL A 47 -0.209 -7.729 -8.549 1.00 0.00 N ATOM 765 CA VAL A 47 0.087 -6.988 -9.768 1.00 0.00 C ATOM 766 C VAL A 47 1.570 -7.093 -10.121 1.00 0.00 C ATOM 767 O VAL A 47 1.935 -7.456 -11.242 1.00 0.00 O ATOM 768 CB VAL A 47 -0.290 -5.497 -9.622 1.00 0.00 C ATOM 769 CG1 VAL A 47 0.097 -4.716 -10.869 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.776 -5.347 -9.330 1.00 0.00 C ATOM 0 H VAL A 47 -0.196 -7.165 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.509 -7.430 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 47 0.267 -5.085 -8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.178 -3.669 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.173 -4.792 -11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.426 -5.127 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.022 -4.290 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.353 -5.779 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.019 -5.865 -8.402 1.00 0.00 H new ATOM 780 N GLU A 48 2.409 -6.787 -9.145 1.00 0.00 N ATOM 781 CA GLU A 48 3.849 -6.733 -9.335 1.00 0.00 C ATOM 782 C GLU A 48 4.465 -8.131 -9.205 1.00 0.00 C ATOM 783 O GLU A 48 3.754 -9.125 -9.056 1.00 0.00 O ATOM 784 CB GLU A 48 4.443 -5.772 -8.298 1.00 0.00 C ATOM 785 CG GLU A 48 5.297 -4.651 -8.881 1.00 0.00 C ATOM 786 CD GLU A 48 6.618 -5.130 -9.453 1.00 0.00 C ATOM 787 OE1 GLU A 48 7.270 -5.994 -8.822 1.00 0.00 O ATOM 788 OE2 GLU A 48 7.021 -4.637 -10.527 1.00 0.00 O ATOM 0 H GLU A 48 2.109 -6.568 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 48 4.076 -6.371 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.628 -5.329 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.050 -6.345 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.733 -4.146 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.493 -3.913 -8.103 1.00 0.00 H new ATOM 795 N ASN A 49 5.786 -8.204 -9.259 1.00 0.00 N ATOM 796 CA ASN A 49 6.491 -9.476 -9.169 1.00 0.00 C ATOM 797 C ASN A 49 7.245 -9.568 -7.846 1.00 0.00 C ATOM 798 O ASN A 49 7.603 -10.655 -7.390 1.00 0.00 O ATOM 799 CB ASN A 49 7.454 -9.627 -10.359 1.00 0.00 C ATOM 800 CG ASN A 49 8.257 -10.917 -10.326 1.00 0.00 C ATOM 801 OD1 ASN A 49 7.770 -11.975 -10.726 1.00 0.00 O ATOM 802 ND2 ASN A 49 9.499 -10.839 -9.873 1.00 0.00 N ATOM 0 H ASN A 49 6.396 -7.393 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 49 5.766 -10.289 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.883 -9.587 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.141 -8.781 -10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.086 -11.673 -9.847 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.869 -9.945 -9.550 1.00 0.00 H new ATOM 809 N THR A 50 7.459 -8.415 -7.229 1.00 0.00 N ATOM 810 CA THR A 50 8.185 -8.327 -5.978 1.00 0.00 C ATOM 811 C THR A 50 7.418 -8.981 -4.827 1.00 0.00 C ATOM 812 O THR A 50 6.244 -8.679 -4.587 1.00 0.00 O ATOM 813 CB THR A 50 8.478 -6.857 -5.634 1.00 0.00 C ATOM 814 OG1 THR A 50 9.130 -6.230 -6.746 1.00 0.00 O ATOM 815 CG2 THR A 50 9.357 -6.745 -4.394 1.00 0.00 C ATOM 0 H THR A 50 7.133 -7.516 -7.584 1.00 0.00 H new ATOM 0 HA THR A 50 9.123 -8.867 -6.108 1.00 0.00 H new ATOM 0 HB THR A 50 7.532 -6.357 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.488 -6.109 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.547 -5.694 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.850 -7.206 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.304 -7.255 -4.572 1.00 0.00 H new ATOM 823 N PRO A 51 8.073 -9.921 -4.132 1.00 0.00 N ATOM 824 CA PRO A 51 7.536 -10.543 -2.919 1.00 0.00 C ATOM 825 C PRO A 51 7.232 -9.512 -1.833 1.00 0.00 C ATOM 826 O PRO A 51 7.924 -8.499 -1.712 1.00 0.00 O ATOM 827 CB PRO A 51 8.659 -11.474 -2.455 1.00 0.00 C ATOM 828 CG PRO A 51 9.524 -11.689 -3.648 1.00 0.00 C ATOM 829 CD PRO A 51 9.390 -10.459 -4.501 1.00 0.00 C ATOM 0 HA PRO A 51 6.594 -11.056 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.224 -11.028 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.258 -12.418 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.561 -11.844 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.213 -12.578 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.186 -9.743 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.441 -10.700 -5.563 1.00 0.00 H new ATOM 837 N ILE A 52 6.206 -9.792 -1.036 1.00 0.00 N ATOM 838 CA ILE A 52 5.768 -8.888 0.024 1.00 0.00 C ATOM 839 C ILE A 52 6.887 -8.637 1.034 1.00 0.00 C ATOM 840 O ILE A 52 7.058 -7.520 1.518 1.00 0.00 O ATOM 841 CB ILE A 52 4.527 -9.455 0.756 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.336 -9.543 -0.203 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.169 -8.601 1.964 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.088 -10.119 0.432 1.00 0.00 C ATOM 0 H ILE A 52 5.656 -10.648 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 52 5.502 -7.941 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 52 4.771 -10.458 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.113 -8.547 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.614 -10.157 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.294 -9.021 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.008 -8.585 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.948 -7.584 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.286 -10.151 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.294 -11.128 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.784 -9.493 1.271 1.00 0.00 H new ATOM 856 N LYS A 53 7.661 -9.673 1.321 1.00 0.00 N ATOM 857 CA LYS A 53 8.729 -9.587 2.314 1.00 0.00 C ATOM 858 C LYS A 53 9.826 -8.600 1.914 1.00 0.00 C ATOM 859 O LYS A 53 10.579 -8.127 2.765 1.00 0.00 O ATOM 860 CB LYS A 53 9.365 -10.957 2.526 1.00 0.00 C ATOM 861 CG LYS A 53 8.434 -12.006 3.103 1.00 0.00 C ATOM 862 CD LYS A 53 9.177 -13.314 3.316 1.00 0.00 C ATOM 863 CE LYS A 53 8.306 -14.367 3.975 1.00 0.00 C ATOM 864 NZ LYS A 53 9.066 -15.620 4.235 1.00 0.00 N ATOM 0 H LYS A 53 7.571 -10.588 0.880 1.00 0.00 H new ATOM 0 HA LYS A 53 8.266 -9.230 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.748 -11.316 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.221 -10.846 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.023 -11.655 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.592 -12.164 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.533 -13.688 2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.057 -13.134 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.911 -13.978 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.451 -14.585 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.441 -16.318 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.422 -16.003 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.868 -15.415 4.865 1.00 0.00 H new ATOM 878 N ARG A 54 9.924 -8.302 0.623 1.00 0.00 N ATOM 879 CA ARG A 54 11.036 -7.504 0.108 1.00 0.00 C ATOM 880 C ARG A 54 10.656 -6.035 -0.041 1.00 0.00 C ATOM 881 O ARG A 54 11.529 -5.173 -0.163 1.00 0.00 O ATOM 882 CB ARG A 54 11.517 -8.048 -1.248 1.00 0.00 C ATOM 883 CG ARG A 54 12.350 -9.326 -1.165 1.00 0.00 C ATOM 884 CD ARG A 54 11.556 -10.491 -0.598 1.00 0.00 C ATOM 885 NE ARG A 54 12.317 -11.739 -0.597 1.00 0.00 N ATOM 886 CZ ARG A 54 12.619 -12.427 0.501 1.00 0.00 C ATOM 887 NH1 ARG A 54 12.309 -11.950 1.701 1.00 0.00 N ATOM 888 NH2 ARG A 54 13.246 -13.589 0.396 1.00 0.00 N ATOM 0 H ARG A 54 9.252 -8.598 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 54 11.844 -7.578 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.647 -8.238 -1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.107 -7.278 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.714 -9.586 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.226 -9.147 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.249 -10.256 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.646 -10.625 -1.182 1.00 0.00 H new ATOM 0 HE ARG A 54 12.636 -12.105 -1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.836 -11.050 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.544 -12.483 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.495 -13.953 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.480 -14.120 1.235 1.00 0.00 H new ATOM 902 N MET A 55 9.363 -5.749 -0.014 1.00 0.00 N ATOM 903 CA MET A 55 8.887 -4.395 -0.260 1.00 0.00 C ATOM 904 C MET A 55 8.218 -3.811 0.975 1.00 0.00 C ATOM 905 O MET A 55 7.465 -4.495 1.668 1.00 0.00 O ATOM 906 CB MET A 55 7.915 -4.377 -1.446 1.00 0.00 C ATOM 907 CG MET A 55 6.706 -5.284 -1.279 1.00 0.00 C ATOM 908 SD MET A 55 5.619 -5.259 -2.718 1.00 0.00 S ATOM 909 CE MET A 55 4.380 -6.452 -2.233 1.00 0.00 C ATOM 0 H MET A 55 8.628 -6.431 0.174 1.00 0.00 H new ATOM 0 HA MET A 55 9.752 -3.776 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.569 -3.355 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.454 -4.672 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.044 -6.305 -1.101 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.144 -4.976 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.476 -6.298 -2.823 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.758 -7.460 -2.404 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.148 -6.326 -1.175 1.00 0.00 H new ATOM 919 N GLN A 56 8.505 -2.548 1.258 1.00 0.00 N ATOM 920 CA GLN A 56 7.862 -1.862 2.364 1.00 0.00 C ATOM 921 C GLN A 56 7.131 -0.630 1.852 1.00 0.00 C ATOM 922 O GLN A 56 7.571 0.012 0.894 1.00 0.00 O ATOM 923 CB GLN A 56 8.878 -1.468 3.437 1.00 0.00 C ATOM 924 CG GLN A 56 8.267 -1.394 4.830 1.00 0.00 C ATOM 925 CD GLN A 56 9.283 -1.089 5.912 1.00 0.00 C ATOM 926 OE1 GLN A 56 9.151 -1.540 7.047 1.00 0.00 O ATOM 927 NE2 GLN A 56 10.298 -0.312 5.578 1.00 0.00 N ATOM 0 H GLN A 56 9.176 -1.982 0.738 1.00 0.00 H new ATOM 0 HA GLN A 56 7.144 -2.544 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.694 -2.191 3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.311 -0.500 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.493 -0.626 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.778 -2.342 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.375 0.044 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.004 -0.069 6.273 1.00 0.00 H new ATOM 936 N LEU A 57 6.017 -0.312 2.492 1.00 0.00 N ATOM 937 CA LEU A 57 5.160 0.778 2.049 1.00 0.00 C ATOM 938 C LEU A 57 5.553 2.083 2.731 1.00 0.00 C ATOM 939 O LEU A 57 5.767 2.114 3.939 1.00 0.00 O ATOM 940 CB LEU A 57 3.702 0.453 2.377 1.00 0.00 C ATOM 941 CG LEU A 57 3.245 -0.955 1.998 1.00 0.00 C ATOM 942 CD1 LEU A 57 1.846 -1.215 2.527 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.291 -1.154 0.492 1.00 0.00 C ATOM 0 H LEU A 57 5.683 -0.796 3.325 1.00 0.00 H new ATOM 0 HA LEU A 57 5.279 0.895 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.548 0.591 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.063 1.174 1.867 1.00 0.00 H new ATOM 0 HG LEU A 57 3.929 -1.671 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.533 -2.222 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.844 -1.121 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.154 -0.489 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.961 -2.164 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.634 -0.431 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.311 -1.010 0.137 1.00 0.00 H new ATOM 955 N TYR A 58 5.661 3.151 1.957 1.00 0.00 N ATOM 956 CA TYR A 58 5.958 4.467 2.509 1.00 0.00 C ATOM 957 C TYR A 58 4.904 5.478 2.079 1.00 0.00 C ATOM 958 O TYR A 58 4.610 5.620 0.894 1.00 0.00 O ATOM 959 CB TYR A 58 7.348 4.941 2.072 1.00 0.00 C ATOM 960 CG TYR A 58 8.488 4.234 2.771 1.00 0.00 C ATOM 961 CD1 TYR A 58 8.781 2.902 2.506 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.274 4.907 3.694 1.00 0.00 C ATOM 963 CE1 TYR A 58 9.821 2.260 3.145 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.319 4.271 4.336 1.00 0.00 C ATOM 965 CZ TYR A 58 10.588 2.948 4.056 1.00 0.00 C ATOM 966 OH TYR A 58 11.618 2.308 4.704 1.00 0.00 O ATOM 0 H TYR A 58 5.548 3.134 0.943 1.00 0.00 H new ATOM 0 HA TYR A 58 5.945 4.386 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.449 4.795 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.430 6.012 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.184 2.360 1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.066 5.944 3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.032 1.223 2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.922 4.807 5.054 1.00 0.00 H new ATOM 0 HH TYR A 58 11.499 2.394 5.673 1.00 0.00 H new ATOM 976 N TYR A 59 4.339 6.174 3.048 1.00 0.00 N ATOM 977 CA TYR A 59 3.314 7.168 2.779 1.00 0.00 C ATOM 978 C TYR A 59 3.640 8.475 3.488 1.00 0.00 C ATOM 979 O TYR A 59 3.678 8.526 4.718 1.00 0.00 O ATOM 980 CB TYR A 59 1.940 6.649 3.220 1.00 0.00 C ATOM 981 CG TYR A 59 0.837 7.684 3.131 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.505 8.275 1.919 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.126 8.064 4.261 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.503 9.216 1.836 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.884 9.004 4.188 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.194 9.579 2.972 1.00 0.00 C ATOM 987 OH TYR A 59 -2.206 10.512 2.889 1.00 0.00 O ATOM 0 H TYR A 59 4.574 6.069 4.035 1.00 0.00 H new ATOM 0 HA TYR A 59 3.287 7.356 1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.671 5.791 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.009 6.293 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.044 7.994 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.367 7.617 5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.749 9.665 0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.428 9.287 5.077 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.916 10.282 3.524 1.00 0.00 H new ATOM 997 N SER A 60 3.913 9.513 2.701 1.00 0.00 N ATOM 998 CA SER A 60 4.158 10.851 3.231 1.00 0.00 C ATOM 999 C SER A 60 5.355 10.869 4.183 1.00 0.00 C ATOM 1000 O SER A 60 5.400 11.648 5.134 1.00 0.00 O ATOM 1001 CB SER A 60 2.899 11.368 3.935 1.00 0.00 C ATOM 1002 OG SER A 60 1.823 11.507 3.018 1.00 0.00 O ATOM 0 H SER A 60 3.970 9.451 1.685 1.00 0.00 H new ATOM 0 HA SER A 60 4.398 11.510 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.616 10.681 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.109 12.330 4.403 1.00 0.00 H new ATOM 0 HG SER A 60 1.379 10.641 2.901 1.00 0.00 H new ATOM 1008 N GLY A 61 6.332 10.013 3.912 1.00 0.00 N ATOM 1009 CA GLY A 61 7.528 9.972 4.730 1.00 0.00 C ATOM 1010 C GLY A 61 7.398 9.016 5.899 1.00 0.00 C ATOM 1011 O GLY A 61 8.338 8.835 6.671 1.00 0.00 O ATOM 0 H GLY A 61 6.317 9.346 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.376 9.674 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.742 10.973 5.105 1.00 0.00 H new ATOM 1015 N ILE A 62 6.230 8.413 6.037 1.00 0.00 N ATOM 1016 CA ILE A 62 5.993 7.441 7.089 1.00 0.00 C ATOM 1017 C ILE A 62 5.957 6.038 6.502 1.00 0.00 C ATOM 1018 O ILE A 62 5.159 5.755 5.606 1.00 0.00 O ATOM 1019 CB ILE A 62 4.661 7.716 7.822 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.647 9.140 8.385 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.441 6.698 8.935 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.345 9.513 9.060 1.00 0.00 C ATOM 0 H ILE A 62 5.428 8.581 5.430 1.00 0.00 H new ATOM 0 HA ILE A 62 6.809 7.525 7.807 1.00 0.00 H new ATOM 0 HB ILE A 62 3.846 7.619 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.461 9.246 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.841 9.844 7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.498 6.908 9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.409 5.695 8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.259 6.762 9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.409 10.535 9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.529 9.440 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.158 8.833 9.891 1.00 0.00 H new ATOM 1034 N GLU A 63 6.830 5.167 6.982 1.00 0.00 N ATOM 1035 CA GLU A 63 6.834 3.793 6.519 1.00 0.00 C ATOM 1036 C GLU A 63 5.769 2.994 7.251 1.00 0.00 C ATOM 1037 O GLU A 63 5.629 3.077 8.475 1.00 0.00 O ATOM 1038 CB GLU A 63 8.215 3.144 6.679 1.00 0.00 C ATOM 1039 CG GLU A 63 8.711 3.053 8.110 1.00 0.00 C ATOM 1040 CD GLU A 63 10.109 2.470 8.210 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.953 2.755 7.332 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.382 1.737 9.181 1.00 0.00 O ATOM 0 H GLU A 63 7.537 5.385 7.684 1.00 0.00 H new ATOM 0 HA GLU A 63 6.603 3.794 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.181 2.140 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.938 3.712 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.704 4.047 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.023 2.438 8.690 1.00 0.00 H new ATOM 1049 N LEU A 64 5.004 2.241 6.488 1.00 0.00 N ATOM 1050 CA LEU A 64 3.929 1.437 7.033 1.00 0.00 C ATOM 1051 C LEU A 64 4.483 0.090 7.462 1.00 0.00 C ATOM 1052 O LEU A 64 4.465 -0.878 6.700 1.00 0.00 O ATOM 1053 CB LEU A 64 2.819 1.257 5.993 1.00 0.00 C ATOM 1054 CG LEU A 64 2.390 2.543 5.269 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.292 2.253 4.258 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.934 3.604 6.261 1.00 0.00 C ATOM 0 H LEU A 64 5.109 2.169 5.476 1.00 0.00 H new ATOM 0 HA LEU A 64 3.501 1.941 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.153 0.534 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.947 0.828 6.486 1.00 0.00 H new ATOM 0 HG LEU A 64 3.258 2.929 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.004 3.178 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.657 1.539 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.427 1.834 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.636 4.503 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.086 3.227 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.752 3.843 6.940 1.00 0.00 H new ATOM 1068 N ALA A 65 5.005 0.051 8.676 1.00 0.00 N ATOM 1069 CA ALA A 65 5.703 -1.123 9.167 1.00 0.00 C ATOM 1070 C ALA A 65 4.745 -2.121 9.806 1.00 0.00 C ATOM 1071 O ALA A 65 4.932 -3.329 9.690 1.00 0.00 O ATOM 1072 CB ALA A 65 6.778 -0.714 10.158 1.00 0.00 C ATOM 0 H ALA A 65 4.958 0.823 9.341 1.00 0.00 H new ATOM 0 HA ALA A 65 6.170 -1.615 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.296 -1.602 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.492 -0.052 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.319 -0.193 10.998 1.00 0.00 H new ATOM 1078 N ASP A 66 3.725 -1.607 10.478 1.00 0.00 N ATOM 1079 CA ASP A 66 2.768 -2.452 11.186 1.00 0.00 C ATOM 1080 C ASP A 66 1.756 -3.059 10.228 1.00 0.00 C ATOM 1081 O ASP A 66 0.909 -2.358 9.680 1.00 0.00 O ATOM 1082 CB ASP A 66 2.027 -1.662 12.266 1.00 0.00 C ATOM 1083 CG ASP A 66 2.940 -1.148 13.355 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.471 -1.965 14.133 1.00 0.00 O ATOM 1085 OD2 ASP A 66 3.106 0.084 13.462 1.00 0.00 O ATOM 0 H ASP A 66 3.537 -0.607 10.549 1.00 0.00 H new ATOM 0 HA ASP A 66 3.337 -3.253 11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.513 -0.820 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.261 -2.297 12.712 1.00 0.00 H new ATOM 1090 N ASP A 67 1.848 -4.368 10.054 1.00 0.00 N ATOM 1091 CA ASP A 67 0.977 -5.108 9.141 1.00 0.00 C ATOM 1092 C ASP A 67 -0.488 -5.056 9.566 1.00 0.00 C ATOM 1093 O ASP A 67 -1.384 -4.907 8.732 1.00 0.00 O ATOM 1094 CB ASP A 67 1.432 -6.564 9.072 1.00 0.00 C ATOM 1095 CG ASP A 67 2.592 -6.772 8.124 1.00 0.00 C ATOM 1096 OD1 ASP A 67 3.749 -6.537 8.533 1.00 0.00 O ATOM 1097 OD2 ASP A 67 2.349 -7.170 6.962 1.00 0.00 O ATOM 0 H ASP A 67 2.528 -4.952 10.540 1.00 0.00 H new ATOM 0 HA ASP A 67 1.053 -4.636 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.719 -6.898 10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.595 -7.187 8.757 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.717 -5.164 10.868 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.070 -5.245 11.428 1.00 0.00 C ATOM 1104 C TYR A 68 -2.825 -3.916 11.325 1.00 0.00 C ATOM 1105 O TYR A 68 -4.013 -3.849 11.636 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.995 -5.678 12.896 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.069 -4.816 13.728 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -1.518 -3.639 14.311 1.00 0.00 C ATOM 1109 CD2 TYR A 68 0.261 -5.175 13.911 1.00 0.00 C ATOM 1110 CE1 TYR A 68 -0.668 -2.842 15.049 1.00 0.00 C ATOM 1111 CE2 TYR A 68 1.114 -4.386 14.653 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.645 -3.220 15.219 1.00 0.00 C ATOM 1113 OH TYR A 68 1.497 -2.420 15.945 1.00 0.00 O ATOM 0 H TYR A 68 0.024 -5.198 11.568 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.621 -5.981 10.843 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.995 -5.647 13.328 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.658 -6.714 12.945 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.549 -3.343 14.185 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.632 -6.086 13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.031 -1.926 15.491 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.144 -4.680 14.790 1.00 0.00 H new ATOM 0 HH TYR A 68 2.333 -2.298 15.449 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.138 -2.869 10.896 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.741 -1.546 10.826 1.00 0.00 C ATOM 1125 C ARG A 69 -3.613 -1.393 9.594 1.00 0.00 C ATOM 1126 O ARG A 69 -3.433 -2.090 8.595 1.00 0.00 O ATOM 1127 CB ARG A 69 -1.660 -0.470 10.826 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.175 -0.093 12.211 1.00 0.00 C ATOM 1129 CD ARG A 69 -2.208 0.739 12.955 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.728 1.136 14.275 1.00 0.00 N ATOM 1131 CZ ARG A 69 -2.359 1.988 15.085 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -3.535 2.503 14.740 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -1.813 2.318 16.251 1.00 0.00 N ATOM 0 H ARG A 69 -1.165 -2.908 10.592 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.373 -1.428 11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.812 -0.819 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.047 0.421 10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.956 -0.997 12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.243 0.467 12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.448 1.628 12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.130 0.167 13.059 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.849 0.734 14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.962 2.248 13.850 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.010 3.154 15.366 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.914 1.920 16.524 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.293 2.969 16.873 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.559 -0.473 9.681 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.445 -0.169 8.566 1.00 0.00 C ATOM 1149 C ASN A 70 -5.007 1.134 7.914 1.00 0.00 C ATOM 1150 O ASN A 70 -4.338 1.955 8.543 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.897 -0.041 9.037 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.407 -1.272 9.760 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.235 -1.412 10.973 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.061 -2.163 9.032 1.00 0.00 N ATOM 0 H ASN A 70 -4.735 0.081 10.519 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.387 -0.986 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.982 0.821 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.535 0.155 8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.443 -3.000 9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.183 -2.013 8.031 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.388 1.332 6.664 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.999 2.530 5.927 1.00 0.00 C ATOM 1163 C LEU A 71 -5.645 3.782 6.518 1.00 0.00 C ATOM 1164 O LEU A 71 -5.056 4.865 6.504 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.367 2.389 4.452 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.753 1.176 3.749 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.075 1.203 2.265 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.249 1.126 3.974 1.00 0.00 C ATOM 0 H LEU A 71 -5.967 0.680 6.134 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.918 2.639 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.452 2.329 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.055 3.292 3.927 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.189 0.274 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.631 0.333 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.156 1.183 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.670 2.112 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.834 0.256 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.791 2.032 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.043 1.055 5.042 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.853 3.628 7.045 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.560 4.736 7.683 1.00 0.00 C ATOM 1182 C ASN A 72 -6.837 5.174 8.957 1.00 0.00 C ATOM 1183 O ASN A 72 -6.928 6.333 9.361 1.00 0.00 O ATOM 1184 CB ASN A 72 -9.018 4.357 7.991 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.145 3.264 9.035 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.110 2.077 8.717 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.316 3.662 10.285 1.00 0.00 N ATOM 0 H ASN A 72 -7.366 2.746 7.044 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.570 5.574 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.552 5.243 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.503 4.030 7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.425 2.973 11.029 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.339 4.658 10.505 1.00 0.00 H new ATOM 1194 N GLU A 73 -6.123 4.243 9.583 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.364 4.536 10.797 1.00 0.00 C ATOM 1196 C GLU A 73 -4.238 5.525 10.500 1.00 0.00 C ATOM 1197 O GLU A 73 -3.901 6.370 11.331 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.778 3.248 11.379 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.820 2.196 11.721 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.673 2.575 12.911 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -7.668 3.300 12.727 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -6.341 2.150 14.037 1.00 0.00 O ATOM 0 H GLU A 73 -6.053 3.275 9.269 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.042 4.982 11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.072 2.826 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.213 3.492 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.463 2.035 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.319 1.250 11.926 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.661 5.414 9.309 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.581 6.303 8.895 1.00 0.00 C ATOM 1211 C TYR A 74 -3.141 7.577 8.267 1.00 0.00 C ATOM 1212 O TYR A 74 -2.473 8.609 8.222 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.654 5.600 7.899 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.931 4.395 8.465 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.156 4.550 9.317 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.325 3.103 8.134 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.829 3.452 9.820 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.657 2.003 8.636 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.418 2.183 9.476 1.00 0.00 C ATOM 1220 OH TYR A 74 1.086 1.087 9.976 1.00 0.00 O ATOM 0 H TYR A 74 -3.923 4.717 8.612 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.008 6.570 9.783 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.240 5.285 7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.916 6.317 7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.480 5.543 9.590 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.167 2.957 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.673 3.589 10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.977 1.006 8.370 1.00 0.00 H new ATOM 0 HH TYR A 74 1.459 1.305 10.855 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.374 7.494 7.785 1.00 0.00 N ATOM 1231 CA GLY A 75 -5.001 8.638 7.155 1.00 0.00 C ATOM 1232 C GLY A 75 -4.770 8.667 5.661 1.00 0.00 C ATOM 1233 O GLY A 75 -4.513 9.724 5.083 1.00 0.00 O ATOM 0 H GLY A 75 -4.951 6.654 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.072 8.618 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.611 9.554 7.599 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.854 7.503 5.037 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.628 7.384 3.606 1.00 0.00 C ATOM 1239 C ILE A 76 -5.927 7.615 2.832 1.00 0.00 C ATOM 1240 O ILE A 76 -6.968 7.044 3.164 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.034 6.000 3.259 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.697 5.819 3.986 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.859 5.840 1.755 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.995 4.516 3.682 1.00 0.00 C ATOM 0 H ILE A 76 -5.078 6.623 5.502 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.911 8.150 3.312 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.727 5.227 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.037 6.644 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.869 5.883 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.439 4.857 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.827 5.937 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.185 6.612 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.058 4.469 4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.633 3.682 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.787 4.455 2.614 1.00 0.00 H new ATOM 1256 N THR A 77 -5.862 8.471 1.817 1.00 0.00 N ATOM 1257 CA THR A 77 -7.031 8.800 1.016 1.00 0.00 C ATOM 1258 C THR A 77 -6.782 8.457 -0.460 1.00 0.00 C ATOM 1259 O THR A 77 -5.746 7.876 -0.794 1.00 0.00 O ATOM 1260 CB THR A 77 -7.396 10.298 1.169 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.674 10.560 0.582 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.345 11.189 0.520 1.00 0.00 C ATOM 0 H THR A 77 -5.008 8.950 1.531 1.00 0.00 H new ATOM 0 HA THR A 77 -7.871 8.205 1.375 1.00 0.00 H new ATOM 0 HB THR A 77 -7.433 10.524 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.894 11.509 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.628 12.234 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.379 11.016 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.275 10.955 -0.542 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.710 8.836 -1.342 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.636 8.467 -2.760 1.00 0.00 C ATOM 1272 C GLU A 78 -6.702 9.392 -3.550 1.00 0.00 C ATOM 1273 O GLU A 78 -6.853 9.564 -4.758 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.035 8.465 -3.396 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.724 9.822 -3.445 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.701 10.041 -2.310 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -11.703 9.299 -2.228 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.492 10.976 -1.514 1.00 0.00 O ATOM 0 H GLU A 78 -8.524 9.400 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.221 7.460 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.955 8.079 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.668 7.773 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.968 10.606 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.252 9.919 -4.393 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.716 9.947 -2.863 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.757 10.868 -3.470 1.00 0.00 C ATOM 1287 C PHE A 79 -3.372 10.600 -2.901 1.00 0.00 C ATOM 1288 O PHE A 79 -2.502 11.470 -2.889 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.152 12.326 -3.196 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.447 12.741 -3.832 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.516 12.980 -5.194 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.595 12.891 -3.070 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.703 13.362 -5.786 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.785 13.273 -3.655 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.840 13.508 -5.016 1.00 0.00 C ATOM 0 H PHE A 79 -5.555 9.775 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.754 10.708 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.225 12.475 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.357 12.980 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.630 12.866 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.558 12.707 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.742 13.546 -6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.672 13.388 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.771 13.805 -5.476 1.00 0.00 H new ATOM 1305 N SER A 80 -3.176 9.377 -2.446 1.00 0.00 N ATOM 1306 CA SER A 80 -1.970 9.006 -1.731 1.00 0.00 C ATOM 1307 C SER A 80 -0.898 8.453 -2.660 1.00 0.00 C ATOM 1308 O SER A 80 -1.193 7.718 -3.608 1.00 0.00 O ATOM 1309 CB SER A 80 -2.324 7.974 -0.668 1.00 0.00 C ATOM 1310 OG SER A 80 -3.154 6.960 -1.210 1.00 0.00 O ATOM 0 H SER A 80 -3.845 8.616 -2.561 1.00 0.00 H new ATOM 0 HA SER A 80 -1.559 9.903 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.413 7.530 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.833 8.461 0.164 1.00 0.00 H new ATOM 0 HG SER A 80 -4.094 7.213 -1.099 1.00 0.00 H new ATOM 1316 N GLU A 81 0.345 8.820 -2.385 1.00 0.00 N ATOM 1317 CA GLU A 81 1.479 8.248 -3.084 1.00 0.00 C ATOM 1318 C GLU A 81 2.150 7.201 -2.217 1.00 0.00 C ATOM 1319 O GLU A 81 2.939 7.527 -1.328 1.00 0.00 O ATOM 1320 CB GLU A 81 2.493 9.324 -3.465 1.00 0.00 C ATOM 1321 CG GLU A 81 2.061 10.199 -4.626 1.00 0.00 C ATOM 1322 CD GLU A 81 3.159 11.148 -5.062 1.00 0.00 C ATOM 1323 OE1 GLU A 81 3.269 12.248 -4.482 1.00 0.00 O ATOM 1324 OE2 GLU A 81 3.930 10.790 -5.975 1.00 0.00 O ATOM 0 H GLU A 81 0.591 9.514 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 81 1.110 7.784 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.679 9.956 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.438 8.844 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.772 9.569 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.179 10.772 -4.339 1.00 0.00 H new ATOM 1331 N ILE A 82 1.825 5.950 -2.469 1.00 0.00 N ATOM 1332 CA ILE A 82 2.415 4.853 -1.731 1.00 0.00 C ATOM 1333 C ILE A 82 3.744 4.478 -2.355 1.00 0.00 C ATOM 1334 O ILE A 82 3.804 3.792 -3.377 1.00 0.00 O ATOM 1335 CB ILE A 82 1.489 3.622 -1.680 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.131 4.004 -1.090 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.125 2.499 -0.870 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.215 4.715 0.246 1.00 0.00 C ATOM 0 H ILE A 82 1.153 5.667 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 82 2.567 5.186 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 82 1.339 3.263 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.394 4.645 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.469 3.102 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.453 1.641 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.070 2.209 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.308 2.843 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.790 4.951 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.709 4.069 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.786 5.637 0.132 1.00 0.00 H new ATOM 1350 N VAL A 83 4.801 4.958 -1.745 1.00 0.00 N ATOM 1351 CA VAL A 83 6.136 4.752 -2.263 1.00 0.00 C ATOM 1352 C VAL A 83 6.680 3.423 -1.775 1.00 0.00 C ATOM 1353 O VAL A 83 6.865 3.214 -0.578 1.00 0.00 O ATOM 1354 CB VAL A 83 7.096 5.886 -1.852 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.451 5.705 -2.518 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.504 7.243 -2.203 1.00 0.00 C ATOM 0 H VAL A 83 4.763 5.499 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 83 6.069 4.750 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 83 7.235 5.843 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.116 6.515 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.881 4.750 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.329 5.720 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.197 8.030 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.333 7.298 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.558 7.374 -1.678 1.00 0.00 H new ATOM 1366 N VAL A 84 6.911 2.520 -2.704 1.00 0.00 N ATOM 1367 CA VAL A 84 7.399 1.202 -2.370 1.00 0.00 C ATOM 1368 C VAL A 84 8.919 1.170 -2.380 1.00 0.00 C ATOM 1369 O VAL A 84 9.552 1.342 -3.425 1.00 0.00 O ATOM 1370 CB VAL A 84 6.852 0.143 -3.344 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.413 -1.230 -3.011 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.332 0.121 -3.310 1.00 0.00 C ATOM 0 H VAL A 84 6.767 2.677 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 84 7.045 0.967 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 84 7.170 0.408 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.015 -1.965 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.500 -1.207 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.127 -1.503 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.963 -0.634 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.994 -0.118 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.947 1.099 -3.599 1.00 0.00 H new ATOM 1382 N PHE A 85 9.499 0.973 -1.209 1.00 0.00 N ATOM 1383 CA PHE A 85 10.939 0.852 -1.085 1.00 0.00 C ATOM 1384 C PHE A 85 11.341 -0.600 -0.909 1.00 0.00 C ATOM 1385 O PHE A 85 10.797 -1.314 -0.061 1.00 0.00 O ATOM 1386 CB PHE A 85 11.466 1.697 0.077 1.00 0.00 C ATOM 1387 CG PHE A 85 11.704 3.132 -0.295 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.782 3.480 -1.092 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.856 4.130 0.150 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.008 4.798 -1.438 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.075 5.450 -0.192 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.152 5.784 -0.987 1.00 0.00 C ATOM 0 H PHE A 85 8.992 0.893 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 85 11.386 1.227 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.753 1.655 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.398 1.263 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.453 2.712 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.012 3.874 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.852 5.057 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.405 6.219 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.326 6.815 -1.256 1.00 0.00 H new ATOM 1402 N LEU A 86 12.287 -1.033 -1.724 1.00 0.00 N ATOM 1403 CA LEU A 86 12.770 -2.399 -1.678 1.00 0.00 C ATOM 1404 C LEU A 86 14.072 -2.461 -0.904 1.00 0.00 C ATOM 1405 O LEU A 86 15.038 -1.773 -1.244 1.00 0.00 O ATOM 1406 CB LEU A 86 12.979 -2.938 -3.094 1.00 0.00 C ATOM 1407 CG LEU A 86 11.754 -2.853 -4.006 1.00 0.00 C ATOM 1408 CD1 LEU A 86 12.030 -3.522 -5.342 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.548 -3.482 -3.333 1.00 0.00 C ATOM 0 H LEU A 86 12.738 -0.452 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 86 12.025 -3.016 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.798 -2.388 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.292 -3.980 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 86 11.537 -1.801 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.145 -3.450 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.868 -3.025 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.275 -4.572 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.685 -3.413 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.757 -4.530 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.335 -2.955 -2.403 1.00 0.00 H new ATOM 1421 N LYS A 87 14.095 -3.271 0.140 1.00 0.00 N ATOM 1422 CA LYS A 87 15.287 -3.411 0.958 1.00 0.00 C ATOM 1423 C LYS A 87 16.323 -4.236 0.208 1.00 0.00 C ATOM 1424 O LYS A 87 16.247 -5.464 0.160 1.00 0.00 O ATOM 1425 CB LYS A 87 14.944 -4.050 2.306 1.00 0.00 C ATOM 1426 CG LYS A 87 13.895 -3.272 3.085 1.00 0.00 C ATOM 1427 CD LYS A 87 14.337 -1.839 3.337 1.00 0.00 C ATOM 1428 CE LYS A 87 13.212 -1.007 3.927 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.649 0.379 4.245 1.00 0.00 N ATOM 0 H LYS A 87 13.304 -3.840 0.441 1.00 0.00 H new ATOM 0 HA LYS A 87 15.703 -2.424 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.585 -5.066 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.851 -4.127 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.955 -3.272 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.705 -3.768 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.190 -1.834 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.671 -1.390 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.380 -0.972 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.843 -1.487 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.814 0.983 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.220 0.372 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.219 0.752 3.459 1.00 0.00 H new ATOM 1443 N SER A 88 17.291 -3.546 -0.376 1.00 0.00 N ATOM 1444 CA SER A 88 18.224 -4.160 -1.305 1.00 0.00 C ATOM 1445 C SER A 88 19.374 -4.861 -0.592 1.00 0.00 C ATOM 1446 O SER A 88 20.526 -4.769 -1.011 1.00 0.00 O ATOM 1447 CB SER A 88 18.755 -3.099 -2.267 1.00 0.00 C ATOM 1448 OG SER A 88 17.691 -2.451 -2.948 1.00 0.00 O ATOM 0 H SER A 88 17.450 -2.551 -0.220 1.00 0.00 H new ATOM 0 HA SER A 88 17.687 -4.927 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 88 19.340 -2.363 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.426 -3.562 -2.990 1.00 0.00 H new ATOM 0 HG SER A 88 18.056 -1.775 -3.557 1.00 0.00 H new ATOM 1454 N ILE A 89 19.057 -5.588 0.472 1.00 0.00 N ATOM 1455 CA ILE A 89 20.032 -6.468 1.098 1.00 0.00 C ATOM 1456 C ILE A 89 20.312 -7.643 0.168 1.00 0.00 C ATOM 1457 O ILE A 89 21.352 -8.300 0.245 1.00 0.00 O ATOM 1458 CB ILE A 89 19.554 -6.992 2.470 1.00 0.00 C ATOM 1459 CG1 ILE A 89 18.189 -7.683 2.341 1.00 0.00 C ATOM 1460 CG2 ILE A 89 19.491 -5.855 3.479 1.00 0.00 C ATOM 1461 CD1 ILE A 89 17.709 -8.328 3.625 1.00 0.00 C ATOM 0 H ILE A 89 18.139 -5.585 0.916 1.00 0.00 H new ATOM 0 HA ILE A 89 20.941 -5.891 1.271 1.00 0.00 H new ATOM 0 HB ILE A 89 20.273 -7.729 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 89 17.450 -6.951 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 89 18.249 -8.444 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 89 19.152 -6.240 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.481 -5.414 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 89 18.794 -5.095 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 89 16.739 -8.796 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 89 18.427 -9.085 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 89 17.616 -7.568 4.401 1.00 0.00 H new ATOM 1473 N ASN A 90 19.349 -7.894 -0.705 1.00 0.00 N ATOM 1474 CA ASN A 90 19.507 -8.824 -1.808 1.00 0.00 C ATOM 1475 C ASN A 90 19.398 -8.026 -3.101 1.00 0.00 C ATOM 1476 O ASN A 90 18.318 -7.896 -3.677 1.00 0.00 O ATOM 1477 CB ASN A 90 18.435 -9.924 -1.750 1.00 0.00 C ATOM 1478 CG ASN A 90 18.537 -10.920 -2.893 1.00 0.00 C ATOM 1479 OD1 ASN A 90 17.935 -10.738 -3.951 1.00 0.00 O ATOM 1480 ND2 ASN A 90 19.281 -11.994 -2.680 1.00 0.00 N ATOM 0 H ASN A 90 18.430 -7.454 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 90 20.476 -9.320 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 90 18.522 -10.457 -0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 90 17.448 -9.462 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 90 19.370 -12.705 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 90 19.765 -12.110 -1.790 1.00 0.00 H new ATOM 1487 N ARG A 91 20.509 -7.427 -3.508 1.00 0.00 N ATOM 1488 CA ARG A 91 20.506 -6.506 -4.636 1.00 0.00 C ATOM 1489 C ARG A 91 21.058 -7.163 -5.892 1.00 0.00 C ATOM 1490 O ARG A 91 22.166 -7.704 -5.892 1.00 0.00 O ATOM 1491 CB ARG A 91 21.326 -5.257 -4.305 1.00 0.00 C ATOM 1492 CG ARG A 91 21.278 -4.193 -5.393 1.00 0.00 C ATOM 1493 CD ARG A 91 22.222 -3.039 -5.098 1.00 0.00 C ATOM 1494 NE ARG A 91 21.917 -2.381 -3.829 1.00 0.00 N ATOM 1495 CZ ARG A 91 21.546 -1.107 -3.721 1.00 0.00 C ATOM 1496 NH1 ARG A 91 21.440 -0.344 -4.803 1.00 0.00 N ATOM 1497 NH2 ARG A 91 21.293 -0.592 -2.527 1.00 0.00 N ATOM 0 H ARG A 91 21.422 -7.562 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 91 19.471 -6.221 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 91 20.960 -4.828 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 91 22.363 -5.547 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.541 -4.641 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.260 -3.815 -5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.247 -3.408 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.164 -2.310 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 91 21.993 -2.932 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 91 21.643 -0.733 -5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 91 21.155 0.631 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.383 -1.171 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.009 0.384 -2.442 1.00 0.00 H new ATOM 1511 N ALA A 92 20.272 -7.114 -6.951 1.00 0.00 N ATOM 1512 CA ALA A 92 20.699 -7.582 -8.257 1.00 0.00 C ATOM 1513 C ALA A 92 19.995 -6.780 -9.343 1.00 0.00 C ATOM 1514 O ALA A 92 18.874 -7.107 -9.741 1.00 0.00 O ATOM 1515 CB ALA A 92 20.421 -9.069 -8.417 1.00 0.00 C ATOM 0 H ALA A 92 19.320 -6.749 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 92 21.775 -7.435 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.749 -9.396 -9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.962 -9.625 -7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 92 19.352 -9.253 -8.311 1.00 0.00 H new ATOM 1521 N LYS A 93 20.632 -5.706 -9.790 1.00 0.00 N ATOM 1522 CA LYS A 93 20.029 -4.838 -10.790 1.00 0.00 C ATOM 1523 C LYS A 93 20.108 -5.496 -12.157 1.00 0.00 C ATOM 1524 O LYS A 93 21.187 -5.616 -12.743 1.00 0.00 O ATOM 1525 CB LYS A 93 20.720 -3.470 -10.820 1.00 0.00 C ATOM 1526 CG LYS A 93 19.756 -2.296 -10.966 1.00 0.00 C ATOM 1527 CD LYS A 93 18.898 -2.398 -12.223 1.00 0.00 C ATOM 1528 CE LYS A 93 19.692 -2.124 -13.492 1.00 0.00 C ATOM 1529 NZ LYS A 93 18.863 -2.326 -14.712 1.00 0.00 N ATOM 0 H LYS A 93 21.559 -5.417 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 93 18.983 -4.681 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.295 -3.344 -9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.430 -3.450 -11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.108 -2.251 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.323 -1.365 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.459 -3.394 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.072 -1.690 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.068 -1.101 -13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.560 -2.782 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.898 -1.470 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.233 -3.134 -15.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.879 -2.516 -14.435 1.00 0.00 H new ATOM 1543 N ASP A 94 18.962 -5.934 -12.646 1.00 0.00 N ATOM 1544 CA ASP A 94 18.874 -6.589 -13.939 1.00 0.00 C ATOM 1545 C ASP A 94 18.279 -5.632 -14.958 1.00 0.00 C ATOM 1546 O ASP A 94 17.041 -5.600 -15.096 1.00 0.00 O ATOM 1547 CB ASP A 94 18.019 -7.854 -13.826 1.00 0.00 C ATOM 1548 CG ASP A 94 17.865 -8.585 -15.143 1.00 0.00 C ATOM 1549 OD1 ASP A 94 18.865 -9.142 -15.641 1.00 0.00 O ATOM 1550 OD2 ASP A 94 16.735 -8.639 -15.670 1.00 0.00 O ATOM 1551 OXT ASP A 94 19.050 -4.870 -15.573 1.00 0.00 O ATOM 0 H ASP A 94 18.069 -5.846 -12.161 1.00 0.00 H new ATOM 0 HA ASP A 94 19.873 -6.875 -14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 94 18.469 -8.526 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 94 17.032 -7.586 -13.448 1.00 0.00 H new TER 1556 ASP A 94