USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -0.557 USER MOD Set 2.2: A 67 TYR OH : rot 178:sc= 0.195 USER MOD Single : A 1 ILE N :NH3+ 166:sc= -0.305 (180deg=-0.627) USER MOD Single : A 2 GLN : amide:sc= -0.0737 K(o=-0.074,f=-2.2!) USER MOD Single : A 4 THR OG1 : rot 15:sc= 0.691! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0768 F(o=-1.9!,f=-0.077) USER MOD Single : A 10 TYR OH : rot 60:sc= 0.0322 USER MOD Single : A 11 SER OG : rot -118:sc= 0.189 USER MOD Single : A 13 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.091) USER MOD Single : A 17 ASN : amide:sc= 0.681 K(o=0.68,f=-4.1!) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0673 (180deg=-0.379) USER MOD Single : A 21 ASN : amide:sc= -0.29 K(o=-0.29,f=-6.1!) USER MOD Single : A 24 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.703 USER MOD Single : A 31 HIS : no HD1:sc= -0.879 X(o=-0.88,f=-0.41) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.467 X(o=-0.47,f=0.016) USER MOD Single : A 55 SER OG : rot 60:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= 0.993 (180deg=0.409) USER MOD Single : A 61 SER OG : rot 139:sc= 0.172 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.373 USER MOD Single : A 66 TYR OH : rot -109:sc= 1.28 USER MOD Single : A 68 THR OG1 : rot 87:sc= 0.0543 USER MOD Single : A 73 THR OG1 : rot -32:sc= 1.68 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.1!) USER MOD Single : A 84 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-4.4!) USER MOD Single : A 86 THR OG1 : rot 100:sc= -0.981 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0115) USER MOD Single : A 99 MET CE :methyl -173:sc= 0 (180deg=-0.076) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -20.228 -10.543 -4.964 1.00 0.00 N ATOM 2 CA ILE A 1 -21.256 -9.780 -4.208 1.00 0.00 C ATOM 3 C ILE A 1 -20.636 -8.601 -3.455 1.00 0.00 C ATOM 4 O ILE A 1 -20.924 -8.377 -2.278 1.00 0.00 O ATOM 5 CB ILE A 1 -22.045 -10.690 -3.228 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.145 -11.751 -2.566 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.198 -11.360 -3.953 1.00 0.00 C ATOM 8 CD1 ILE A 1 -20.236 -11.217 -1.477 1.00 0.00 C ATOM 0 H1 ILE A 1 -20.625 -11.456 -5.265 1.00 0.00 H new ATOM 0 H2 ILE A 1 -19.938 -9.999 -5.801 1.00 0.00 H new ATOM 0 H3 ILE A 1 -19.401 -10.709 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.959 -9.387 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 1 -22.434 -10.053 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -21.777 -12.532 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -20.532 -12.220 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -23.745 -11.996 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.868 -10.599 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -22.810 -11.967 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -19.640 -12.033 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -19.574 -10.458 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.839 -10.775 -0.684 1.00 0.00 H new ATOM 19 N GLN A 2 -19.834 -7.820 -4.177 1.00 0.00 N ATOM 20 CA GLN A 2 -19.033 -6.739 -3.598 1.00 0.00 C ATOM 21 C GLN A 2 -18.088 -6.214 -4.689 1.00 0.00 C ATOM 22 O GLN A 2 -18.097 -6.732 -5.805 1.00 0.00 O ATOM 23 CB GLN A 2 -18.257 -7.264 -2.366 1.00 0.00 C ATOM 24 CG GLN A 2 -17.446 -6.214 -1.616 1.00 0.00 C ATOM 25 CD GLN A 2 -18.302 -5.095 -1.060 1.00 0.00 C ATOM 26 OE1 GLN A 2 -18.545 -4.094 -1.734 1.00 0.00 O ATOM 27 NE2 GLN A 2 -18.759 -5.253 0.172 1.00 0.00 N ATOM 0 H GLN A 2 -19.720 -7.919 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.666 -5.921 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.968 -7.714 -1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.583 -8.057 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.908 -6.694 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.697 -5.793 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.533 -6.099 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.337 -4.529 0.598 1.00 0.00 H new ATOM 36 N ARG A 3 -17.281 -5.203 -4.386 1.00 0.00 N ATOM 37 CA ARG A 3 -16.412 -4.601 -5.392 1.00 0.00 C ATOM 38 C ARG A 3 -14.951 -4.764 -4.985 1.00 0.00 C ATOM 39 O ARG A 3 -14.601 -4.548 -3.825 1.00 0.00 O ATOM 40 CB ARG A 3 -16.755 -3.115 -5.578 1.00 0.00 C ATOM 41 CG ARG A 3 -15.833 -2.379 -6.563 1.00 0.00 C ATOM 42 CD ARG A 3 -16.461 -1.097 -7.105 1.00 0.00 C ATOM 43 NE ARG A 3 -16.818 -0.159 -6.039 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.934 1.158 -6.219 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.793 1.682 -7.431 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.202 1.953 -5.188 1.00 0.00 N ATOM 0 H ARG A 3 -17.210 -4.785 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.570 -5.111 -6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.784 -3.031 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.706 -2.617 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.894 -2.137 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.592 -3.041 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.764 -0.616 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.353 -1.347 -7.680 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.988 -0.534 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.595 1.077 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.882 2.689 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.320 1.557 -4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.290 2.959 -5.329 1.00 0.00 H new ATOM 60 N THR A 4 -14.108 -5.141 -5.942 1.00 0.00 N ATOM 61 CA THR A 4 -12.719 -5.475 -5.653 1.00 0.00 C ATOM 62 C THR A 4 -11.873 -4.219 -5.419 1.00 0.00 C ATOM 63 O THR A 4 -11.811 -3.341 -6.284 1.00 0.00 O ATOM 64 CB THR A 4 -12.086 -6.292 -6.809 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.841 -5.438 -7.938 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.998 -7.428 -7.244 1.00 0.00 C ATOM 0 H THR A 4 -14.364 -5.223 -6.926 1.00 0.00 H new ATOM 0 HA THR A 4 -12.727 -6.075 -4.743 1.00 0.00 H new ATOM 0 HB THR A 4 -11.148 -6.711 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.900 -4.501 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.527 -7.982 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.173 -8.097 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.949 -7.020 -7.587 1.00 0.00 H new ATOM 74 N PRO A 5 -11.215 -4.109 -4.249 1.00 0.00 N ATOM 75 CA PRO A 5 -10.250 -3.047 -3.994 1.00 0.00 C ATOM 76 C PRO A 5 -8.969 -3.300 -4.777 1.00 0.00 C ATOM 77 O PRO A 5 -8.373 -4.374 -4.675 1.00 0.00 O ATOM 78 CB PRO A 5 -9.978 -3.123 -2.484 1.00 0.00 C ATOM 79 CG PRO A 5 -10.923 -4.147 -1.935 1.00 0.00 C ATOM 80 CD PRO A 5 -11.355 -5.002 -3.095 1.00 0.00 C ATOM 0 HA PRO A 5 -10.619 -2.068 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.943 -3.406 -2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.138 -2.154 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.437 -4.751 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.783 -3.668 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.729 -5.889 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.382 -5.348 -2.978 1.00 0.00 H new ATOM 88 N LYS A 6 -8.553 -2.324 -5.563 1.00 0.00 N ATOM 89 CA LYS A 6 -7.408 -2.502 -6.438 1.00 0.00 C ATOM 90 C LYS A 6 -6.155 -1.923 -5.796 1.00 0.00 C ATOM 91 O LYS A 6 -6.230 -0.968 -5.019 1.00 0.00 O ATOM 92 CB LYS A 6 -7.679 -1.840 -7.791 1.00 0.00 C ATOM 93 CG LYS A 6 -6.655 -2.179 -8.860 1.00 0.00 C ATOM 94 CD LYS A 6 -6.984 -1.493 -10.174 1.00 0.00 C ATOM 95 CE LYS A 6 -6.041 -1.930 -11.279 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.356 -1.259 -12.566 1.00 0.00 N ATOM 0 H LYS A 6 -8.989 -1.403 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.246 -3.568 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.667 -2.141 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.704 -0.759 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.663 -1.875 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.624 -3.258 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.011 -1.722 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.922 -0.412 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.014 -1.703 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.105 -3.011 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.691 -1.582 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.328 -1.495 -12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.270 -0.229 -12.451 1.00 0.00 H new ATOM 110 N ILE A 7 -5.008 -2.503 -6.126 1.00 0.00 N ATOM 111 CA ILE A 7 -3.761 -2.139 -5.477 1.00 0.00 C ATOM 112 C ILE A 7 -3.030 -1.062 -6.253 1.00 0.00 C ATOM 113 O ILE A 7 -2.845 -1.171 -7.468 1.00 0.00 O ATOM 114 CB ILE A 7 -2.803 -3.338 -5.337 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.575 -4.645 -5.145 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.847 -3.106 -4.172 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.474 -4.651 -3.937 1.00 0.00 C ATOM 0 H ILE A 7 -4.918 -3.227 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.041 -1.777 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.227 -3.426 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.176 -4.834 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.864 -5.467 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.173 -3.958 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.266 -2.202 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.418 -2.993 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.986 -5.611 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.877 -4.494 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.210 -3.852 -4.027 1.00 0.00 H new ATOM 129 N GLN A 8 -2.624 -0.030 -5.542 1.00 0.00 N ATOM 130 CA GLN A 8 -1.764 0.999 -6.092 1.00 0.00 C ATOM 131 C GLN A 8 -0.676 1.334 -5.080 1.00 0.00 C ATOM 132 O GLN A 8 -0.971 1.782 -3.973 1.00 0.00 O ATOM 133 CB GLN A 8 -2.581 2.252 -6.411 1.00 0.00 C ATOM 134 CG GLN A 8 -3.547 2.092 -7.573 1.00 0.00 C ATOM 135 CD GLN A 8 -4.529 3.244 -7.671 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.891 3.812 -6.530 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -4.970 3.614 -8.760 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.881 0.119 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.308 0.636 -7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.144 2.540 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.896 3.071 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.983 2.018 -8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.097 1.158 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.667 3.151 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.638 4.383 -8.805 1.00 0.00 H new ATOM 146 N VAL A 9 0.573 1.104 -5.449 1.00 0.00 N ATOM 147 CA VAL A 9 1.690 1.410 -4.569 1.00 0.00 C ATOM 148 C VAL A 9 2.817 2.078 -5.346 1.00 0.00 C ATOM 149 O VAL A 9 3.246 1.589 -6.392 1.00 0.00 O ATOM 150 CB VAL A 9 2.211 0.147 -3.823 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.289 -1.057 -4.748 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.571 0.411 -3.186 1.00 0.00 C ATOM 0 H VAL A 9 0.839 0.707 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 9 1.325 2.104 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 9 1.494 -0.080 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.657 -1.920 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.298 -1.276 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.969 -0.840 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.912 -0.487 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.289 0.681 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.485 1.229 -2.470 1.00 0.00 H new ATOM 162 N TYR A 10 3.273 3.212 -4.837 1.00 0.00 N ATOM 163 CA TYR A 10 4.322 3.980 -5.487 1.00 0.00 C ATOM 164 C TYR A 10 5.055 4.839 -4.465 1.00 0.00 C ATOM 165 O TYR A 10 4.586 5.034 -3.346 1.00 0.00 O ATOM 166 CB TYR A 10 3.743 4.853 -6.614 1.00 0.00 C ATOM 167 CG TYR A 10 2.624 5.780 -6.183 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.296 5.383 -6.277 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.895 7.052 -5.693 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.270 6.225 -5.895 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.873 7.900 -5.307 1.00 0.00 C ATOM 172 CZ TYR A 10 0.563 7.482 -5.410 1.00 0.00 C ATOM 173 OH TYR A 10 -0.459 8.325 -5.032 1.00 0.00 O ATOM 0 H TYR A 10 2.929 3.623 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 10 5.033 3.284 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.548 5.451 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.373 4.202 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.062 4.399 -6.655 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.920 7.383 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.757 5.900 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.100 8.885 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.979 7.908 -4.314 1.00 0.00 H new ATOM 183 N SER A 11 6.222 5.317 -4.849 1.00 0.00 N ATOM 184 CA SER A 11 7.051 6.142 -3.989 1.00 0.00 C ATOM 185 C SER A 11 6.523 7.581 -3.919 1.00 0.00 C ATOM 186 O SER A 11 6.151 8.161 -4.941 1.00 0.00 O ATOM 187 CB SER A 11 8.472 6.112 -4.575 1.00 0.00 C ATOM 188 OG SER A 11 8.422 5.812 -5.963 1.00 0.00 O ATOM 0 H SER A 11 6.625 5.144 -5.770 1.00 0.00 H new ATOM 0 HA SER A 11 7.041 5.757 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.958 7.076 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.072 5.365 -4.055 1.00 0.00 H new ATOM 0 HG SER A 11 8.896 4.971 -6.133 1.00 0.00 H new ATOM 194 N ARG A 12 6.479 8.145 -2.701 1.00 0.00 N ATOM 195 CA ARG A 12 6.025 9.532 -2.519 1.00 0.00 C ATOM 196 C ARG A 12 7.007 10.492 -3.195 1.00 0.00 C ATOM 197 O ARG A 12 6.605 11.417 -3.900 1.00 0.00 O ATOM 198 CB ARG A 12 5.895 9.844 -1.009 1.00 0.00 C ATOM 199 CG ARG A 12 5.168 11.143 -0.629 1.00 0.00 C ATOM 200 CD ARG A 12 6.043 12.375 -0.810 1.00 0.00 C ATOM 201 NE ARG A 12 7.235 12.338 0.041 1.00 0.00 N ATOM 202 CZ ARG A 12 7.464 13.187 1.045 1.00 0.00 C ATOM 203 NH1 ARG A 12 6.569 14.110 1.371 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.594 13.109 1.731 1.00 0.00 N ATOM 0 H ARG A 12 6.748 7.670 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 12 5.047 9.661 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.375 9.012 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.897 9.878 -0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.271 11.246 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.842 11.083 0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.346 12.453 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.462 13.268 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 12 7.933 11.618 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.693 14.177 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.756 14.753 2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.288 12.401 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.770 13.757 2.499 1.00 0.00 H new ATOM 218 N HIS A 13 8.291 10.266 -2.965 1.00 0.00 N ATOM 219 CA HIS A 13 9.344 11.011 -3.645 1.00 0.00 C ATOM 220 C HIS A 13 10.255 10.033 -4.399 1.00 0.00 C ATOM 221 O HIS A 13 10.055 8.822 -4.276 1.00 0.00 O ATOM 222 CB HIS A 13 10.143 11.849 -2.642 1.00 0.00 C ATOM 223 CG HIS A 13 9.519 13.182 -2.341 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.969 13.967 -1.308 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.499 13.824 -2.969 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.222 15.060 -1.331 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.319 15.015 -2.318 1.00 0.00 N ATOM 0 H HIS A 13 8.633 9.566 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 13 8.895 11.697 -4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.247 11.288 -1.713 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.148 12.008 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.938 13.464 -3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.328 15.884 -0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.628 15.731 -2.542 1.00 0.00 H new ATOM 235 N PRO A 14 11.260 10.507 -5.187 1.00 0.00 N ATOM 236 CA PRO A 14 12.130 9.608 -5.966 1.00 0.00 C ATOM 237 C PRO A 14 12.798 8.536 -5.108 1.00 0.00 C ATOM 238 O PRO A 14 13.165 8.775 -3.955 1.00 0.00 O ATOM 239 CB PRO A 14 13.199 10.533 -6.571 1.00 0.00 C ATOM 240 CG PRO A 14 13.070 11.844 -5.842 1.00 0.00 C ATOM 241 CD PRO A 14 11.629 11.923 -5.396 1.00 0.00 C ATOM 0 HA PRO A 14 11.550 9.063 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.197 10.112 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.042 10.664 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.747 11.886 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.325 12.681 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.522 12.506 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.000 12.396 -6.150 1.00 0.00 H new ATOM 249 N ALA A 15 12.945 7.350 -5.678 1.00 0.00 N ATOM 250 CA ALA A 15 13.580 6.244 -4.987 1.00 0.00 C ATOM 251 C ALA A 15 15.092 6.371 -5.036 1.00 0.00 C ATOM 252 O ALA A 15 15.696 6.250 -6.105 1.00 0.00 O ATOM 253 CB ALA A 15 13.161 4.923 -5.609 1.00 0.00 C ATOM 0 H ALA A 15 12.630 7.130 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 15 13.260 6.271 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.645 4.102 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.079 4.813 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.458 4.904 -6.658 1.00 0.00 H new ATOM 259 N GLU A 16 15.700 6.626 -3.891 1.00 0.00 N ATOM 260 CA GLU A 16 17.145 6.642 -3.800 1.00 0.00 C ATOM 261 C GLU A 16 17.590 5.475 -2.938 1.00 0.00 C ATOM 262 O GLU A 16 17.147 5.314 -1.800 1.00 0.00 O ATOM 263 CB GLU A 16 17.634 7.978 -3.226 1.00 0.00 C ATOM 264 CG GLU A 16 18.975 8.470 -3.783 1.00 0.00 C ATOM 265 CD GLU A 16 20.197 7.709 -3.316 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.443 6.601 -3.824 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.961 8.256 -2.496 1.00 0.00 O ATOM 0 H GLU A 16 15.216 6.824 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 16 17.581 6.539 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.877 8.738 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.721 7.881 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.935 8.424 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.097 9.519 -3.513 1.00 0.00 H new ATOM 274 N ASN A 17 18.436 4.654 -3.511 1.00 0.00 N ATOM 275 CA ASN A 17 18.866 3.422 -2.856 1.00 0.00 C ATOM 276 C ASN A 17 19.998 3.732 -1.893 1.00 0.00 C ATOM 277 O ASN A 17 21.096 4.105 -2.304 1.00 0.00 O ATOM 278 CB ASN A 17 19.327 2.332 -3.849 1.00 0.00 C ATOM 279 CG ASN A 17 18.253 1.766 -4.783 1.00 0.00 C ATOM 280 OD1 ASN A 17 17.055 1.827 -4.499 1.00 0.00 O ATOM 281 ND2 ASN A 17 18.705 1.158 -5.894 1.00 0.00 N ATOM 0 H ASN A 17 18.847 4.809 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 17 17.999 3.026 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.130 2.744 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.753 1.507 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 17 18.047 0.724 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.706 1.131 -6.090 1.00 0.00 H new ATOM 288 N GLY A 18 19.740 3.541 -0.615 1.00 0.00 N ATOM 289 CA GLY A 18 20.645 4.022 0.399 1.00 0.00 C ATOM 290 C GLY A 18 20.221 5.389 0.890 1.00 0.00 C ATOM 291 O GLY A 18 21.032 6.158 1.403 1.00 0.00 O ATOM 0 H GLY A 18 18.915 3.058 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.669 3.322 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.657 4.072 -0.004 1.00 0.00 H new ATOM 295 N LYS A 19 18.939 5.689 0.726 1.00 0.00 N ATOM 296 CA LYS A 19 18.385 6.969 1.125 1.00 0.00 C ATOM 297 C LYS A 19 17.048 6.757 1.796 1.00 0.00 C ATOM 298 O LYS A 19 16.362 5.769 1.543 1.00 0.00 O ATOM 299 CB LYS A 19 18.194 7.874 -0.089 1.00 0.00 C ATOM 300 CG LYS A 19 18.714 9.291 0.101 1.00 0.00 C ATOM 301 CD LYS A 19 20.232 9.306 0.201 1.00 0.00 C ATOM 302 CE LYS A 19 20.770 10.535 0.938 1.00 0.00 C ATOM 303 NZ LYS A 19 20.358 10.554 2.364 1.00 0.00 N ATOM 0 H LYS A 19 18.258 5.051 0.313 1.00 0.00 H new ATOM 0 HA LYS A 19 19.080 7.444 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.698 7.426 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.132 7.918 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.395 9.914 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.282 9.723 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.566 8.405 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.657 9.276 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.858 10.548 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.412 11.439 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.002 11.168 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.387 10.919 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.396 9.589 2.749 1.00 0.00 H new ATOM 317 N SER A 20 16.695 7.685 2.654 1.00 0.00 N ATOM 318 CA SER A 20 15.424 7.644 3.346 1.00 0.00 C ATOM 319 C SER A 20 14.329 8.259 2.488 1.00 0.00 C ATOM 320 O SER A 20 14.513 9.325 1.896 1.00 0.00 O ATOM 321 CB SER A 20 15.538 8.390 4.664 1.00 0.00 C ATOM 322 OG SER A 20 16.510 7.790 5.505 1.00 0.00 O ATOM 0 H SER A 20 17.277 8.488 2.893 1.00 0.00 H new ATOM 0 HA SER A 20 15.162 6.604 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.807 9.429 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.571 8.397 5.167 1.00 0.00 H new ATOM 0 HG SER A 20 16.567 8.289 6.347 1.00 0.00 H new ATOM 328 N ASN A 21 13.195 7.586 2.434 1.00 0.00 N ATOM 329 CA ASN A 21 12.074 8.026 1.613 1.00 0.00 C ATOM 330 C ASN A 21 10.769 7.613 2.275 1.00 0.00 C ATOM 331 O ASN A 21 10.777 6.936 3.307 1.00 0.00 O ATOM 332 CB ASN A 21 12.169 7.401 0.207 1.00 0.00 C ATOM 333 CG ASN A 21 11.370 8.173 -0.832 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.099 9.360 -0.669 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.985 7.505 -1.907 1.00 0.00 N ATOM 0 H ASN A 21 13.022 6.725 2.952 1.00 0.00 H new ATOM 0 HA ASN A 21 12.105 9.111 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.214 7.362 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.810 6.373 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.445 7.975 -2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.228 6.520 -2.009 1.00 0.00 H new ATOM 342 N PHE A 22 9.651 8.016 1.685 1.00 0.00 N ATOM 343 CA PHE A 22 8.343 7.678 2.212 1.00 0.00 C ATOM 344 C PHE A 22 7.588 6.834 1.186 1.00 0.00 C ATOM 345 O PHE A 22 7.448 7.229 0.024 1.00 0.00 O ATOM 346 CB PHE A 22 7.533 8.945 2.534 1.00 0.00 C ATOM 347 CG PHE A 22 8.040 9.776 3.689 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.380 10.107 3.807 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.154 10.253 4.644 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.828 10.887 4.853 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.598 11.033 5.695 1.00 0.00 C ATOM 352 CZ PHE A 22 8.938 11.351 5.799 1.00 0.00 C ATOM 0 H PHE A 22 9.629 8.581 0.836 1.00 0.00 H new ATOM 0 HA PHE A 22 8.476 7.114 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.508 9.573 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.505 8.651 2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.084 9.749 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.104 10.012 4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.876 11.134 4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.898 11.393 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.288 11.961 6.619 1.00 0.00 H new ATOM 362 N LEU A 23 7.133 5.666 1.611 1.00 0.00 N ATOM 363 CA LEU A 23 6.359 4.777 0.750 1.00 0.00 C ATOM 364 C LEU A 23 4.922 5.255 0.692 1.00 0.00 C ATOM 365 O LEU A 23 4.491 6.040 1.535 1.00 0.00 O ATOM 366 CB LEU A 23 6.391 3.361 1.315 1.00 0.00 C ATOM 367 CG LEU A 23 6.741 2.220 0.341 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.592 0.884 1.050 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.882 2.236 -0.917 1.00 0.00 C ATOM 0 H LEU A 23 7.286 5.307 2.553 1.00 0.00 H new ATOM 0 HA LEU A 23 6.790 4.782 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.112 3.340 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.413 3.148 1.747 1.00 0.00 H new ATOM 0 HG LEU A 23 7.773 2.368 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.840 0.077 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.265 0.849 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.564 0.766 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.173 1.410 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.833 2.130 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.025 3.180 -1.444 1.00 0.00 H new ATOM 381 N ASN A 24 4.194 4.800 -0.303 1.00 0.00 N ATOM 382 CA ASN A 24 2.776 5.105 -0.405 1.00 0.00 C ATOM 383 C ASN A 24 1.995 3.907 -0.940 1.00 0.00 C ATOM 384 O ASN A 24 2.372 3.312 -1.949 1.00 0.00 O ATOM 385 CB ASN A 24 2.569 6.328 -1.305 1.00 0.00 C ATOM 386 CG ASN A 24 1.114 6.594 -1.620 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.563 6.058 -2.580 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.492 7.447 -0.828 1.00 0.00 N ATOM 0 H ASN A 24 4.557 4.216 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 24 2.398 5.331 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.996 7.205 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.115 6.182 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.485 7.685 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.988 7.868 -0.043 1.00 0.00 H new ATOM 395 N CYS A 25 0.917 3.554 -0.252 1.00 0.00 N ATOM 396 CA CYS A 25 0.050 2.463 -0.676 1.00 0.00 C ATOM 397 C CYS A 25 -1.409 2.926 -0.614 1.00 0.00 C ATOM 398 O CYS A 25 -1.902 3.329 0.444 1.00 0.00 O ATOM 399 CB CYS A 25 0.294 1.229 0.197 1.00 0.00 C ATOM 400 SG CYS A 25 -0.090 -0.360 -0.615 1.00 0.00 S ATOM 0 H CYS A 25 0.621 4.012 0.610 1.00 0.00 H new ATOM 0 HA CYS A 25 0.276 2.183 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.339 1.220 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.308 1.315 1.102 1.00 0.00 H new ATOM 405 N TYR A 26 -2.080 2.878 -1.759 1.00 0.00 N ATOM 406 CA TYR A 26 -3.428 3.415 -1.906 1.00 0.00 C ATOM 407 C TYR A 26 -4.373 2.312 -2.351 1.00 0.00 C ATOM 408 O TYR A 26 -4.383 1.940 -3.525 1.00 0.00 O ATOM 409 CB TYR A 26 -3.456 4.530 -2.965 1.00 0.00 C ATOM 410 CG TYR A 26 -3.497 5.956 -2.442 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.700 6.560 -2.086 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.341 6.722 -2.368 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.743 7.881 -1.674 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.378 8.037 -1.946 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.579 8.612 -1.605 1.00 0.00 C ATOM 416 OH TYR A 26 -3.617 9.929 -1.207 1.00 0.00 O ATOM 0 H TYR A 26 -1.704 2.465 -2.613 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.739 3.819 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.575 4.423 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.326 4.374 -3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.615 5.988 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.395 6.281 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.686 8.336 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.466 8.612 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.709 10.299 -1.212 1.00 0.00 H new ATOM 426 N VAL A 27 -5.158 1.788 -1.431 1.00 0.00 N ATOM 427 CA VAL A 27 -6.122 0.760 -1.777 1.00 0.00 C ATOM 428 C VAL A 27 -7.528 1.341 -1.707 1.00 0.00 C ATOM 429 O VAL A 27 -7.966 1.790 -0.649 1.00 0.00 O ATOM 430 CB VAL A 27 -6.016 -0.465 -0.848 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.699 -1.660 -1.485 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.563 -0.789 -0.531 1.00 0.00 C ATOM 0 H VAL A 27 -5.149 2.053 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.905 0.423 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.518 -0.228 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.619 -2.521 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.751 -1.430 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.219 -1.889 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.519 -1.658 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.029 -1.006 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.100 0.064 -0.036 1.00 0.00 H new ATOM 442 N SER A 28 -8.219 1.369 -2.839 1.00 0.00 N ATOM 443 CA SER A 28 -9.521 2.014 -2.901 1.00 0.00 C ATOM 444 C SER A 28 -10.416 1.392 -3.971 1.00 0.00 C ATOM 445 O SER A 28 -10.035 0.428 -4.643 1.00 0.00 O ATOM 446 CB SER A 28 -9.342 3.504 -3.174 1.00 0.00 C ATOM 447 OG SER A 28 -10.494 4.241 -2.793 1.00 0.00 O ATOM 0 H SER A 28 -7.903 0.957 -3.717 1.00 0.00 H new ATOM 0 HA SER A 28 -10.012 1.869 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.474 3.874 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.142 3.660 -4.234 1.00 0.00 H new ATOM 0 HG SER A 28 -10.350 5.192 -2.978 1.00 0.00 H new ATOM 453 N GLY A 29 -11.614 1.958 -4.107 1.00 0.00 N ATOM 454 CA GLY A 29 -12.580 1.476 -5.070 1.00 0.00 C ATOM 455 C GLY A 29 -13.476 0.423 -4.471 1.00 0.00 C ATOM 456 O GLY A 29 -14.063 -0.380 -5.182 1.00 0.00 O ATOM 0 H GLY A 29 -11.932 2.755 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.185 2.309 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.060 1.064 -5.935 1.00 0.00 H new ATOM 460 N PHE A 30 -13.567 0.417 -3.154 1.00 0.00 N ATOM 461 CA PHE A 30 -14.269 -0.652 -2.449 1.00 0.00 C ATOM 462 C PHE A 30 -15.343 -0.132 -1.493 1.00 0.00 C ATOM 463 O PHE A 30 -15.629 1.062 -1.442 1.00 0.00 O ATOM 464 CB PHE A 30 -13.262 -1.505 -1.671 1.00 0.00 C ATOM 465 CG PHE A 30 -12.574 -0.749 -0.565 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.404 -0.050 -0.810 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.102 -0.732 0.714 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.777 0.650 0.201 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.477 -0.034 1.726 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.314 0.657 1.470 1.00 0.00 C ATOM 0 H PHE A 30 -13.167 1.134 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.776 -1.251 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.777 -2.367 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.511 -1.889 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.978 -0.053 -1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.014 -1.272 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.865 1.192 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.900 -0.029 2.720 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.824 1.203 2.262 1.00 0.00 H new ATOM 480 N HIS A 31 -15.931 -1.074 -0.755 1.00 0.00 N ATOM 481 CA HIS A 31 -16.941 -0.792 0.276 1.00 0.00 C ATOM 482 C HIS A 31 -16.839 -1.894 1.335 1.00 0.00 C ATOM 483 O HIS A 31 -16.225 -2.929 1.065 1.00 0.00 O ATOM 484 CB HIS A 31 -18.387 -0.714 -0.298 1.00 0.00 C ATOM 485 CG HIS A 31 -18.938 0.680 -0.375 1.00 0.00 C ATOM 486 ND1 HIS A 31 -20.089 1.027 0.293 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.477 1.764 -1.049 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.300 2.302 0.014 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.350 2.792 -0.796 1.00 0.00 N ATOM 0 H HIS A 31 -15.720 -2.067 -0.854 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.742 0.189 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.395 -1.153 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.047 -1.321 0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.592 1.809 -1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -21.133 2.877 0.391 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.288 3.745 -1.155 1.00 0.00 H new ATOM 497 N PRO A 32 -17.400 -1.720 2.554 1.00 0.00 N ATOM 498 CA PRO A 32 -18.137 -0.515 2.976 1.00 0.00 C ATOM 499 C PRO A 32 -17.266 0.739 3.037 1.00 0.00 C ATOM 500 O PRO A 32 -17.435 1.645 2.227 1.00 0.00 O ATOM 501 CB PRO A 32 -18.658 -0.870 4.374 1.00 0.00 C ATOM 502 CG PRO A 32 -18.548 -2.353 4.470 1.00 0.00 C ATOM 503 CD PRO A 32 -17.369 -2.729 3.624 1.00 0.00 C ATOM 0 HA PRO A 32 -18.922 -0.270 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.068 -0.381 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.690 -0.543 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.405 -2.669 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.457 -2.837 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.437 -2.691 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.461 -3.741 3.229 1.00 0.00 H new ATOM 511 N SER A 33 -16.338 0.817 3.988 1.00 0.00 N ATOM 512 CA SER A 33 -15.452 1.962 4.076 1.00 0.00 C ATOM 513 C SER A 33 -14.140 1.527 4.727 1.00 0.00 C ATOM 514 O SER A 33 -13.384 2.346 5.252 1.00 0.00 O ATOM 515 CB SER A 33 -16.110 3.069 4.909 1.00 0.00 C ATOM 516 OG SER A 33 -16.335 2.643 6.246 1.00 0.00 O ATOM 0 H SER A 33 -16.185 0.104 4.701 1.00 0.00 H new ATOM 0 HA SER A 33 -15.253 2.349 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.474 3.954 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.057 3.357 4.452 1.00 0.00 H new ATOM 0 HG SER A 33 -16.754 3.369 6.754 1.00 0.00 H new ATOM 522 N ASP A 34 -13.884 0.219 4.693 1.00 0.00 N ATOM 523 CA ASP A 34 -12.771 -0.359 5.438 1.00 0.00 C ATOM 524 C ASP A 34 -12.106 -1.504 4.667 1.00 0.00 C ATOM 525 O ASP A 34 -12.775 -2.337 4.053 1.00 0.00 O ATOM 526 CB ASP A 34 -13.262 -0.872 6.812 1.00 0.00 C ATOM 527 CG ASP A 34 -14.235 -2.033 6.695 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.818 -3.191 6.900 1.00 0.00 O ATOM 529 OD2 ASP A 34 -15.428 -1.790 6.404 1.00 0.00 O ATOM 0 H ASP A 34 -14.431 -0.456 4.159 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.028 0.426 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.403 -1.183 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.742 -0.054 7.349 1.00 0.00 H new ATOM 534 N ILE A 35 -10.779 -1.501 4.680 1.00 0.00 N ATOM 535 CA ILE A 35 -9.974 -2.602 4.159 1.00 0.00 C ATOM 536 C ILE A 35 -8.692 -2.676 4.975 1.00 0.00 C ATOM 537 O ILE A 35 -8.272 -1.673 5.555 1.00 0.00 O ATOM 538 CB ILE A 35 -9.594 -2.431 2.662 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.126 -3.774 2.080 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.495 -1.388 2.501 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.227 -3.648 0.862 1.00 0.00 C ATOM 0 H ILE A 35 -10.226 -0.730 5.055 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.571 -3.511 4.237 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.477 -2.092 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.594 -4.327 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.002 -4.365 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.244 -1.284 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.843 -0.430 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.611 -1.703 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.943 -4.642 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.761 -3.126 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.331 -3.086 1.127 1.00 0.00 H new ATOM 553 N GLU A 36 -8.081 -3.843 5.045 1.00 0.00 N ATOM 554 CA GLU A 36 -6.820 -3.985 5.750 1.00 0.00 C ATOM 555 C GLU A 36 -5.712 -4.256 4.750 1.00 0.00 C ATOM 556 O GLU A 36 -5.750 -5.243 4.006 1.00 0.00 O ATOM 557 CB GLU A 36 -6.886 -5.123 6.764 1.00 0.00 C ATOM 558 CG GLU A 36 -5.747 -5.112 7.784 1.00 0.00 C ATOM 559 CD GLU A 36 -5.565 -3.764 8.445 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.803 -2.941 7.908 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.168 -3.526 9.512 1.00 0.00 O ATOM 0 H GLU A 36 -8.434 -4.703 4.625 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.617 -3.059 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.836 -5.069 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.873 -6.073 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.943 -5.863 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.819 -5.397 7.288 1.00 0.00 H new ATOM 568 N VAL A 37 -4.734 -3.381 4.737 1.00 0.00 N ATOM 569 CA VAL A 37 -3.608 -3.507 3.832 1.00 0.00 C ATOM 570 C VAL A 37 -2.310 -3.381 4.612 1.00 0.00 C ATOM 571 O VAL A 37 -2.157 -2.513 5.474 1.00 0.00 O ATOM 572 CB VAL A 37 -3.681 -2.501 2.640 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.781 -1.490 2.869 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.347 -1.796 2.364 1.00 0.00 C ATOM 0 H VAL A 37 -4.693 -2.565 5.348 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.646 -4.497 3.377 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.909 -3.087 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.818 -0.796 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.737 -2.006 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.582 -0.937 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.464 -1.111 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.041 -1.237 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.586 -2.538 2.123 1.00 0.00 H new ATOM 584 N ASP A 38 -1.401 -4.283 4.321 1.00 0.00 N ATOM 585 CA ASP A 38 -0.165 -4.400 5.061 1.00 0.00 C ATOM 586 C ASP A 38 1.012 -4.318 4.105 1.00 0.00 C ATOM 587 O ASP A 38 0.940 -4.790 2.977 1.00 0.00 O ATOM 588 CB ASP A 38 -0.173 -5.712 5.868 1.00 0.00 C ATOM 589 CG ASP A 38 0.938 -6.677 5.515 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.096 -6.400 5.864 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.631 -7.741 4.941 1.00 0.00 O ATOM 0 H ASP A 38 -1.498 -4.958 3.563 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.067 -3.578 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.103 -5.471 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.131 -6.210 5.717 1.00 0.00 H new ATOM 596 N LEU A 39 2.073 -3.676 4.545 1.00 0.00 N ATOM 597 CA LEU A 39 3.240 -3.488 3.706 1.00 0.00 C ATOM 598 C LEU A 39 4.294 -4.532 4.056 1.00 0.00 C ATOM 599 O LEU A 39 4.526 -4.826 5.232 1.00 0.00 O ATOM 600 CB LEU A 39 3.831 -2.088 3.886 1.00 0.00 C ATOM 601 CG LEU A 39 2.863 -0.904 3.793 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.628 0.404 3.946 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.088 -0.909 2.488 1.00 0.00 C ATOM 0 H LEU A 39 2.153 -3.275 5.479 1.00 0.00 H new ATOM 0 HA LEU A 39 2.934 -3.601 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.319 -2.050 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.608 -1.950 3.134 1.00 0.00 H new ATOM 0 HG LEU A 39 2.140 -1.000 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.934 1.242 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.127 0.423 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.372 0.485 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.413 -0.053 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.784 -0.848 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.510 -1.830 2.412 1.00 0.00 H new ATOM 615 N LEU A 40 4.953 -5.056 3.038 1.00 0.00 N ATOM 616 CA LEU A 40 5.923 -6.122 3.221 1.00 0.00 C ATOM 617 C LEU A 40 7.297 -5.668 2.850 1.00 0.00 C ATOM 618 O LEU A 40 7.487 -4.606 2.269 1.00 0.00 O ATOM 619 CB LEU A 40 5.621 -7.323 2.348 1.00 0.00 C ATOM 620 CG LEU A 40 4.161 -7.676 2.200 1.00 0.00 C ATOM 621 CD1 LEU A 40 4.000 -8.671 1.062 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.609 -8.240 3.505 1.00 0.00 C ATOM 0 H LEU A 40 4.833 -4.759 2.070 1.00 0.00 H new ATOM 0 HA LEU A 40 5.864 -6.394 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.034 -7.140 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.145 -8.187 2.757 1.00 0.00 H new ATOM 0 HG LEU A 40 3.592 -6.776 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.947 -8.929 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.364 -8.227 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.573 -9.572 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.555 -8.488 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.163 -9.139 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.713 -7.497 4.296 1.00 0.00 H new ATOM 634 N LYS A 41 8.246 -6.488 3.216 1.00 0.00 N ATOM 635 CA LYS A 41 9.607 -6.364 2.760 1.00 0.00 C ATOM 636 C LYS A 41 10.109 -7.727 2.369 1.00 0.00 C ATOM 637 O LYS A 41 10.309 -8.592 3.224 1.00 0.00 O ATOM 638 CB LYS A 41 10.495 -5.808 3.847 1.00 0.00 C ATOM 639 CG LYS A 41 9.991 -4.492 4.416 1.00 0.00 C ATOM 640 CD LYS A 41 11.025 -3.893 5.386 1.00 0.00 C ATOM 641 CE LYS A 41 11.190 -4.778 6.610 1.00 0.00 C ATOM 642 NZ LYS A 41 12.414 -4.445 7.382 1.00 0.00 N ATOM 0 H LYS A 41 8.094 -7.273 3.849 1.00 0.00 H new ATOM 0 HA LYS A 41 9.632 -5.681 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.574 -6.538 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.499 -5.663 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.795 -3.790 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.046 -4.652 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.984 -3.782 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.709 -2.896 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.317 -4.672 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.232 -5.822 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.486 -5.074 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.251 -4.571 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.364 -3.457 7.703 1.00 0.00 H new ATOM 656 N ASN A 42 10.267 -7.905 1.077 1.00 0.00 N ATOM 657 CA ASN A 42 10.698 -9.173 0.471 1.00 0.00 C ATOM 658 C ASN A 42 9.652 -10.279 0.660 1.00 0.00 C ATOM 659 O ASN A 42 9.596 -11.237 -0.109 1.00 0.00 O ATOM 660 CB ASN A 42 12.038 -9.612 1.065 1.00 0.00 C ATOM 661 CG ASN A 42 12.989 -10.158 0.017 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.572 -10.795 -0.951 1.00 0.00 O ATOM 663 ND2 ASN A 42 14.277 -9.890 0.188 1.00 0.00 N ATOM 0 H ASN A 42 10.100 -7.167 0.393 1.00 0.00 H new ATOM 0 HA ASN A 42 10.813 -9.005 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.504 -8.764 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.863 -10.375 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.961 -10.215 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.584 -9.359 1.003 1.00 0.00 H new ATOM 670 N GLY A 43 8.826 -10.125 1.680 1.00 0.00 N ATOM 671 CA GLY A 43 7.811 -11.098 1.988 1.00 0.00 C ATOM 672 C GLY A 43 7.371 -11.012 3.429 1.00 0.00 C ATOM 673 O GLY A 43 6.412 -11.667 3.830 1.00 0.00 O ATOM 0 H GLY A 43 8.845 -9.324 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.951 -10.945 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.192 -12.098 1.784 1.00 0.00 H new ATOM 677 N GLU A 44 8.062 -10.189 4.208 1.00 0.00 N ATOM 678 CA GLU A 44 7.843 -10.130 5.639 1.00 0.00 C ATOM 679 C GLU A 44 7.123 -8.843 6.028 1.00 0.00 C ATOM 680 O GLU A 44 7.403 -7.783 5.468 1.00 0.00 O ATOM 681 CB GLU A 44 9.200 -10.199 6.306 1.00 0.00 C ATOM 682 CG GLU A 44 10.075 -11.287 5.732 1.00 0.00 C ATOM 683 CD GLU A 44 9.613 -12.682 6.094 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.824 -13.099 7.254 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.064 -13.374 5.213 1.00 0.00 O ATOM 0 H GLU A 44 8.781 -9.552 3.866 1.00 0.00 H new ATOM 0 HA GLU A 44 7.213 -10.960 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.703 -9.238 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.067 -10.370 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.098 -11.190 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.096 -11.147 6.086 1.00 0.00 H new ATOM 692 N ARG A 45 6.203 -8.941 6.983 1.00 0.00 N ATOM 693 CA ARG A 45 5.397 -7.796 7.393 1.00 0.00 C ATOM 694 C ARG A 45 6.252 -6.753 8.125 1.00 0.00 C ATOM 695 O ARG A 45 7.010 -7.079 9.040 1.00 0.00 O ATOM 696 CB ARG A 45 4.233 -8.249 8.295 1.00 0.00 C ATOM 697 CG ARG A 45 3.137 -7.191 8.456 1.00 0.00 C ATOM 698 CD ARG A 45 1.841 -7.730 9.084 1.00 0.00 C ATOM 699 NE ARG A 45 0.798 -6.702 9.109 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.116 -6.578 10.071 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.087 -7.377 11.131 1.00 0.00 N ATOM 702 NH2 ARG A 45 -1.065 -5.652 9.978 1.00 0.00 N ATOM 0 H ARG A 45 5.997 -9.803 7.488 1.00 0.00 H new ATOM 0 HA ARG A 45 4.989 -7.336 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.793 -9.156 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.625 -8.507 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.518 -6.378 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.907 -6.768 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.491 -8.593 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.041 -8.074 10.099 1.00 0.00 H new ATOM 0 HE ARG A 45 0.769 -6.035 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.637 -8.090 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.789 -7.277 11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.096 -5.033 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.763 -5.561 10.717 1.00 0.00 H new ATOM 716 N ILE A 46 6.130 -5.506 7.680 1.00 0.00 N ATOM 717 CA ILE A 46 6.933 -4.380 8.180 1.00 0.00 C ATOM 718 C ILE A 46 6.757 -4.018 9.685 1.00 0.00 C ATOM 719 O ILE A 46 7.730 -3.702 10.352 1.00 0.00 O ATOM 720 CB ILE A 46 6.665 -3.155 7.282 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.317 -3.380 5.920 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.153 -1.872 7.917 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.170 -2.222 4.964 1.00 0.00 C ATOM 0 H ILE A 46 5.465 -5.239 6.954 1.00 0.00 H new ATOM 0 HA ILE A 46 7.972 -4.706 8.125 1.00 0.00 H new ATOM 0 HB ILE A 46 5.588 -3.046 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.378 -3.583 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.883 -4.270 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.945 -1.034 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.640 -1.718 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.227 -1.938 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.661 -2.464 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.112 -2.031 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.631 -1.333 5.395 1.00 0.00 H new ATOM 735 N GLU A 47 5.546 -4.182 10.215 1.00 0.00 N ATOM 736 CA GLU A 47 5.148 -3.810 11.606 1.00 0.00 C ATOM 737 C GLU A 47 5.387 -2.346 11.975 1.00 0.00 C ATOM 738 O GLU A 47 5.128 -1.945 13.109 1.00 0.00 O ATOM 739 CB GLU A 47 5.849 -4.708 12.630 1.00 0.00 C ATOM 740 CG GLU A 47 6.382 -5.984 12.034 1.00 0.00 C ATOM 741 CD GLU A 47 5.331 -7.072 11.955 1.00 0.00 C ATOM 742 OE1 GLU A 47 4.275 -6.843 11.334 1.00 0.00 O ATOM 743 OE2 GLU A 47 5.553 -8.159 12.530 1.00 0.00 O ATOM 0 H GLU A 47 4.776 -4.590 9.684 1.00 0.00 H new ATOM 0 HA GLU A 47 4.069 -3.960 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.671 -4.156 13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.149 -4.952 13.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.766 -5.781 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.222 -6.337 12.632 1.00 0.00 H new ATOM 750 N LYS A 48 5.849 -1.553 11.035 1.00 0.00 N ATOM 751 CA LYS A 48 6.125 -0.143 11.305 1.00 0.00 C ATOM 752 C LYS A 48 5.264 0.757 10.425 1.00 0.00 C ATOM 753 O LYS A 48 5.449 1.973 10.379 1.00 0.00 O ATOM 754 CB LYS A 48 7.603 0.150 11.076 1.00 0.00 C ATOM 755 CG LYS A 48 8.421 -1.120 10.939 1.00 0.00 C ATOM 756 CD LYS A 48 9.817 -1.002 11.509 1.00 0.00 C ATOM 757 CE LYS A 48 9.789 -0.855 13.021 1.00 0.00 C ATOM 758 NZ LYS A 48 11.155 -0.853 13.605 1.00 0.00 N ATOM 0 H LYS A 48 6.044 -1.849 10.079 1.00 0.00 H new ATOM 0 HA LYS A 48 5.878 0.065 12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.717 0.753 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.988 0.741 11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.900 -1.935 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.489 -1.387 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.398 -1.884 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.320 -0.142 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.280 0.072 13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.211 -1.671 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.091 -0.751 14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.632 -1.748 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.700 -0.059 13.212 1.00 0.00 H new ATOM 772 N VAL A 49 4.338 0.137 9.716 1.00 0.00 N ATOM 773 CA VAL A 49 3.421 0.837 8.834 1.00 0.00 C ATOM 774 C VAL A 49 2.344 1.604 9.601 1.00 0.00 C ATOM 775 O VAL A 49 1.803 1.112 10.593 1.00 0.00 O ATOM 776 CB VAL A 49 2.745 -0.175 7.902 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.752 0.510 6.981 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.799 -0.928 7.118 1.00 0.00 C ATOM 0 H VAL A 49 4.200 -0.873 9.736 1.00 0.00 H new ATOM 0 HA VAL A 49 4.003 1.563 8.266 1.00 0.00 H new ATOM 0 HB VAL A 49 2.183 -0.890 8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.287 -0.231 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.984 1.003 7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.271 1.251 6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.316 -1.647 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.383 -0.224 6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.458 -1.456 7.808 1.00 0.00 H new ATOM 788 N GLU A 50 2.027 2.803 9.117 1.00 0.00 N ATOM 789 CA GLU A 50 0.973 3.620 9.704 1.00 0.00 C ATOM 790 C GLU A 50 -0.004 4.091 8.631 1.00 0.00 C ATOM 791 O GLU A 50 0.369 4.285 7.471 1.00 0.00 O ATOM 792 CB GLU A 50 1.559 4.840 10.414 1.00 0.00 C ATOM 793 CG GLU A 50 2.537 4.505 11.522 1.00 0.00 C ATOM 794 CD GLU A 50 3.055 5.746 12.213 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.529 6.098 13.286 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.983 6.388 11.676 1.00 0.00 O ATOM 0 H GLU A 50 2.490 3.230 8.315 1.00 0.00 H new ATOM 0 HA GLU A 50 0.445 3.002 10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.062 5.467 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.743 5.430 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.050 3.859 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.375 3.943 11.109 1.00 0.00 H new ATOM 803 N HIS A 51 -1.256 4.248 9.027 1.00 0.00 N ATOM 804 CA HIS A 51 -2.281 4.823 8.159 1.00 0.00 C ATOM 805 C HIS A 51 -2.772 6.162 8.708 1.00 0.00 C ATOM 806 O HIS A 51 -3.015 6.310 9.909 1.00 0.00 O ATOM 807 CB HIS A 51 -3.466 3.864 7.980 1.00 0.00 C ATOM 808 CG HIS A 51 -4.084 3.379 9.261 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.342 3.779 9.641 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.591 2.525 10.193 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.586 3.162 10.783 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.556 2.394 11.155 1.00 0.00 N ATOM 0 H HIS A 51 -1.593 3.984 9.953 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.824 4.989 7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.234 4.364 7.389 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.133 3.001 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.625 2.042 10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.502 3.265 11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.500 1.820 11.996 1.00 0.00 H new ATOM 820 N SER A 52 -2.884 7.136 7.815 1.00 0.00 N ATOM 821 CA SER A 52 -3.364 8.469 8.165 1.00 0.00 C ATOM 822 C SER A 52 -4.890 8.548 8.115 1.00 0.00 C ATOM 823 O SER A 52 -5.565 7.532 7.937 1.00 0.00 O ATOM 824 CB SER A 52 -2.759 9.498 7.201 1.00 0.00 C ATOM 825 OG SER A 52 -1.369 9.638 7.418 1.00 0.00 O ATOM 0 H SER A 52 -2.646 7.026 6.829 1.00 0.00 H new ATOM 0 HA SER A 52 -3.052 8.686 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.941 9.189 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.251 10.461 7.336 1.00 0.00 H new ATOM 0 HG SER A 52 -1.005 10.298 6.791 1.00 0.00 H new ATOM 831 N ASP A 53 -5.416 9.762 8.292 1.00 0.00 N ATOM 832 CA ASP A 53 -6.853 10.026 8.194 1.00 0.00 C ATOM 833 C ASP A 53 -7.423 9.431 6.910 1.00 0.00 C ATOM 834 O ASP A 53 -6.957 9.772 5.824 1.00 0.00 O ATOM 835 CB ASP A 53 -7.122 11.542 8.222 1.00 0.00 C ATOM 836 CG ASP A 53 -6.656 12.197 9.504 1.00 0.00 C ATOM 837 OD1 ASP A 53 -7.160 11.834 10.585 1.00 0.00 O ATOM 838 OD2 ASP A 53 -5.788 13.091 9.439 1.00 0.00 O ATOM 0 H ASP A 53 -4.858 10.589 8.507 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.342 9.558 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.619 12.011 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.190 11.719 8.096 1.00 0.00 H new ATOM 843 N LEU A 54 -8.389 8.514 7.064 1.00 0.00 N ATOM 844 CA LEU A 54 -9.040 7.821 5.942 1.00 0.00 C ATOM 845 C LEU A 54 -9.194 8.709 4.705 1.00 0.00 C ATOM 846 O LEU A 54 -8.386 8.636 3.777 1.00 0.00 O ATOM 847 CB LEU A 54 -10.421 7.316 6.387 1.00 0.00 C ATOM 848 CG LEU A 54 -11.188 6.468 5.360 1.00 0.00 C ATOM 849 CD1 LEU A 54 -10.525 5.113 5.159 1.00 0.00 C ATOM 850 CD2 LEU A 54 -12.641 6.294 5.787 1.00 0.00 C ATOM 0 H LEU A 54 -8.743 8.230 7.977 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.397 6.987 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.296 6.726 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.035 8.178 6.649 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.166 6.997 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.090 4.536 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.506 5.256 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.503 4.575 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.168 5.691 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.678 5.795 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.117 7.271 5.864 1.00 0.00 H new ATOM 862 N SER A 55 -10.214 9.553 4.714 1.00 0.00 N ATOM 863 CA SER A 55 -10.536 10.403 3.574 1.00 0.00 C ATOM 864 C SER A 55 -11.626 11.397 3.932 1.00 0.00 C ATOM 865 O SER A 55 -12.049 11.492 5.085 1.00 0.00 O ATOM 866 CB SER A 55 -11.008 9.567 2.379 1.00 0.00 C ATOM 867 OG SER A 55 -9.917 9.025 1.663 1.00 0.00 O ATOM 0 H SER A 55 -10.842 9.669 5.509 1.00 0.00 H new ATOM 0 HA SER A 55 -9.626 10.938 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.651 8.760 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.609 10.188 1.714 1.00 0.00 H new ATOM 0 HG SER A 55 -9.389 8.451 2.256 1.00 0.00 H new ATOM 873 N PHE A 56 -12.054 12.139 2.927 1.00 0.00 N ATOM 874 CA PHE A 56 -13.173 13.048 3.042 1.00 0.00 C ATOM 875 C PHE A 56 -14.072 12.844 1.834 1.00 0.00 C ATOM 876 O PHE A 56 -13.642 12.256 0.837 1.00 0.00 O ATOM 877 CB PHE A 56 -12.689 14.505 3.121 1.00 0.00 C ATOM 878 CG PHE A 56 -11.881 14.956 1.930 1.00 0.00 C ATOM 879 CD1 PHE A 56 -12.483 15.647 0.889 1.00 0.00 C ATOM 880 CD2 PHE A 56 -10.522 14.689 1.852 1.00 0.00 C ATOM 881 CE1 PHE A 56 -11.748 16.062 -0.204 1.00 0.00 C ATOM 882 CE2 PHE A 56 -9.782 15.101 0.760 1.00 0.00 C ATOM 883 CZ PHE A 56 -10.396 15.788 -0.269 1.00 0.00 C ATOM 0 H PHE A 56 -11.628 12.125 2.000 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.726 12.842 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.555 15.158 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.087 14.627 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.540 15.863 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.037 14.153 2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.230 16.600 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.725 14.886 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.819 16.111 -1.123 1.00 0.00 H new ATOM 893 N SER A 57 -15.308 13.305 1.923 1.00 0.00 N ATOM 894 CA SER A 57 -16.249 13.172 0.824 1.00 0.00 C ATOM 895 C SER A 57 -15.682 13.791 -0.455 1.00 0.00 C ATOM 896 O SER A 57 -15.253 14.948 -0.467 1.00 0.00 O ATOM 897 CB SER A 57 -17.578 13.823 1.208 1.00 0.00 C ATOM 898 OG SER A 57 -17.363 14.999 1.977 1.00 0.00 O ATOM 0 H SER A 57 -15.684 13.775 2.746 1.00 0.00 H new ATOM 0 HA SER A 57 -16.420 12.114 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.140 14.070 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.182 13.117 1.777 1.00 0.00 H new ATOM 0 HG SER A 57 -18.226 15.400 2.210 1.00 0.00 H new ATOM 904 N LYS A 58 -15.699 13.022 -1.534 1.00 0.00 N ATOM 905 CA LYS A 58 -15.082 13.449 -2.777 1.00 0.00 C ATOM 906 C LYS A 58 -15.958 13.064 -3.964 1.00 0.00 C ATOM 907 O LYS A 58 -16.810 13.847 -4.382 1.00 0.00 O ATOM 908 CB LYS A 58 -13.670 12.865 -2.906 1.00 0.00 C ATOM 909 CG LYS A 58 -12.983 13.191 -4.222 1.00 0.00 C ATOM 910 CD LYS A 58 -11.507 12.822 -4.189 1.00 0.00 C ATOM 911 CE LYS A 58 -10.893 12.787 -5.585 1.00 0.00 C ATOM 912 NZ LYS A 58 -11.407 13.877 -6.455 1.00 0.00 N ATOM 0 H LYS A 58 -16.134 12.100 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.990 14.535 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.057 13.239 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.725 11.782 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.475 12.654 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.088 14.255 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.967 13.542 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.388 11.847 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.809 12.870 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.106 11.824 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.739 14.043 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.332 13.604 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.510 14.748 -5.896 1.00 0.00 H new ATOM 926 N ASP A 59 -15.787 11.856 -4.492 1.00 0.00 N ATOM 927 CA ASP A 59 -16.614 11.408 -5.603 1.00 0.00 C ATOM 928 C ASP A 59 -17.347 10.131 -5.215 1.00 0.00 C ATOM 929 O ASP A 59 -18.562 10.151 -5.018 1.00 0.00 O ATOM 930 CB ASP A 59 -15.769 11.180 -6.865 1.00 0.00 C ATOM 931 CG ASP A 59 -15.022 12.423 -7.319 1.00 0.00 C ATOM 932 OD1 ASP A 59 -15.653 13.333 -7.893 1.00 0.00 O ATOM 933 OD2 ASP A 59 -13.792 12.493 -7.109 1.00 0.00 O ATOM 0 H ASP A 59 -15.093 11.180 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.343 12.186 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.051 10.382 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.418 10.839 -7.672 1.00 0.00 H new ATOM 938 N TRP A 60 -16.596 9.033 -5.057 1.00 0.00 N ATOM 939 CA TRP A 60 -17.148 7.781 -4.533 1.00 0.00 C ATOM 940 C TRP A 60 -16.090 6.680 -4.529 1.00 0.00 C ATOM 941 O TRP A 60 -15.859 6.026 -5.544 1.00 0.00 O ATOM 942 CB TRP A 60 -18.362 7.316 -5.346 1.00 0.00 C ATOM 943 CG TRP A 60 -19.279 6.436 -4.555 1.00 0.00 C ATOM 944 CD1 TRP A 60 -19.794 6.708 -3.322 1.00 0.00 C ATOM 945 CD2 TRP A 60 -19.797 5.152 -4.930 1.00 0.00 C ATOM 946 NE1 TRP A 60 -20.596 5.679 -2.905 1.00 0.00 N ATOM 947 CE2 TRP A 60 -20.617 4.710 -3.874 1.00 0.00 C ATOM 948 CE3 TRP A 60 -19.646 4.336 -6.054 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -21.286 3.490 -3.909 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -20.310 3.124 -6.093 1.00 0.00 C ATOM 951 CH2 TRP A 60 -21.124 2.708 -5.019 1.00 0.00 C ATOM 0 H TRP A 60 -15.603 8.989 -5.286 1.00 0.00 H new ATOM 0 HA TRP A 60 -17.469 7.977 -3.510 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -18.914 8.187 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -18.019 6.777 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -19.598 7.606 -2.755 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -21.097 5.640 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -19.021 4.647 -6.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -21.911 3.172 -3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -20.204 2.487 -6.958 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -21.628 1.755 -5.074 1.00 0.00 H new ATOM 962 N SER A 61 -15.448 6.485 -3.382 1.00 0.00 N ATOM 963 CA SER A 61 -14.442 5.434 -3.217 1.00 0.00 C ATOM 964 C SER A 61 -13.993 5.359 -1.768 1.00 0.00 C ATOM 965 O SER A 61 -13.914 4.272 -1.200 1.00 0.00 O ATOM 966 CB SER A 61 -13.212 5.701 -4.119 1.00 0.00 C ATOM 967 OG SER A 61 -12.950 7.096 -4.196 1.00 0.00 O ATOM 0 H SER A 61 -15.606 7.045 -2.544 1.00 0.00 H new ATOM 0 HA SER A 61 -14.896 4.487 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.340 5.182 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.391 5.302 -5.117 1.00 0.00 H new ATOM 0 HG SER A 61 -11.984 7.251 -4.145 1.00 0.00 H new ATOM 973 N PHE A 62 -13.715 6.526 -1.184 1.00 0.00 N ATOM 974 CA PHE A 62 -13.222 6.621 0.190 1.00 0.00 C ATOM 975 C PHE A 62 -11.867 5.923 0.293 1.00 0.00 C ATOM 976 O PHE A 62 -11.771 4.711 0.495 1.00 0.00 O ATOM 977 CB PHE A 62 -14.231 6.029 1.198 1.00 0.00 C ATOM 978 CG PHE A 62 -15.656 6.537 1.059 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.549 5.906 0.200 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.113 7.622 1.805 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.857 6.340 0.085 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.427 8.063 1.686 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.295 7.419 0.828 1.00 0.00 C ATOM 0 H PHE A 62 -13.825 7.428 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.102 7.674 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.236 4.945 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.882 6.246 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.216 5.063 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.440 8.126 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.536 5.835 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.768 8.909 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.316 7.758 0.737 1.00 0.00 H new ATOM 993 N TYR A 63 -10.824 6.719 0.138 1.00 0.00 N ATOM 994 CA TYR A 63 -9.467 6.219 0.035 1.00 0.00 C ATOM 995 C TYR A 63 -8.919 5.871 1.415 1.00 0.00 C ATOM 996 O TYR A 63 -9.308 6.472 2.411 1.00 0.00 O ATOM 997 CB TYR A 63 -8.572 7.291 -0.619 1.00 0.00 C ATOM 998 CG TYR A 63 -9.145 7.900 -1.884 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.054 8.951 -1.819 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -8.772 7.437 -3.140 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.575 9.518 -2.964 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -9.291 8.003 -4.291 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.190 9.041 -4.197 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.706 9.600 -5.341 1.00 0.00 O ATOM 0 H TYR A 63 -10.896 7.735 0.080 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.471 5.318 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.393 8.087 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.604 6.847 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.358 9.330 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.066 6.623 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.281 10.332 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.992 7.632 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.330 9.148 -6.125 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.036 4.890 1.474 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.308 4.609 2.697 1.00 0.00 C ATOM 1016 C LEU A 64 -5.830 4.431 2.363 1.00 0.00 C ATOM 1017 O LEU A 64 -5.474 3.697 1.436 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.930 3.389 3.402 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.096 2.723 4.492 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.914 2.574 5.765 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.620 1.368 4.007 1.00 0.00 C ATOM 0 H LEU A 64 -7.807 4.277 0.692 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.381 5.440 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.878 3.698 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.159 2.640 2.644 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.230 3.347 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.306 2.097 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.231 3.558 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.792 1.960 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.024 0.892 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.481 0.741 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.012 1.495 3.111 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.978 5.129 3.109 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.560 5.210 2.791 1.00 0.00 C ATOM 1035 C LEU A 65 -2.739 4.473 3.840 1.00 0.00 C ATOM 1036 O LEU A 65 -2.897 4.704 5.035 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.131 6.687 2.733 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.984 7.043 1.771 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.738 8.548 1.783 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.700 6.300 2.109 1.00 0.00 C ATOM 0 H LEU A 65 -5.250 5.649 3.943 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.386 4.742 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.002 7.282 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.839 6.995 3.737 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.288 6.731 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.924 8.789 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.643 9.067 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.470 8.865 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.081 6.583 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.386 6.558 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.874 5.226 2.046 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.861 3.603 3.380 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.945 2.891 4.260 1.00 0.00 C ATOM 1054 C TYR A 66 0.490 3.126 3.818 1.00 0.00 C ATOM 1055 O TYR A 66 0.875 2.761 2.711 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.256 1.395 4.280 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.207 0.955 5.377 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.753 0.761 6.676 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.540 0.684 5.106 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.598 0.310 7.671 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.392 0.243 6.099 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.916 0.054 7.377 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.758 -0.404 8.363 1.00 0.00 O ATOM 0 H TYR A 66 -1.760 3.368 2.393 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.073 3.276 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.681 1.114 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.321 0.846 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.719 0.967 6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.917 0.820 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.226 0.159 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.430 0.047 5.874 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.980 -1.343 8.194 1.00 0.00 H new ATOM 1073 N TYR A 67 1.274 3.756 4.675 1.00 0.00 N ATOM 1074 CA TYR A 67 2.649 4.088 4.328 1.00 0.00 C ATOM 1075 C TYR A 67 3.607 3.757 5.463 1.00 0.00 C ATOM 1076 O TYR A 67 3.188 3.441 6.577 1.00 0.00 O ATOM 1077 CB TYR A 67 2.766 5.577 3.964 1.00 0.00 C ATOM 1078 CG TYR A 67 2.451 6.529 5.095 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.439 6.932 5.984 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.170 7.033 5.264 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.160 7.809 7.011 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.880 7.911 6.287 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.880 8.296 7.160 1.00 0.00 C ATOM 1084 OH TYR A 67 1.601 9.171 8.184 1.00 0.00 O ATOM 0 H TYR A 67 0.987 4.047 5.610 1.00 0.00 H new ATOM 0 HA TYR A 67 2.925 3.483 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.779 5.773 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.094 5.788 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.443 6.552 5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.387 6.733 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.940 8.112 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.122 8.295 6.405 1.00 0.00 H new ATOM 0 HH TYR A 67 0.662 9.447 8.132 1.00 0.00 H new ATOM 1094 N THR A 68 4.893 3.829 5.165 1.00 0.00 N ATOM 1095 CA THR A 68 5.927 3.636 6.170 1.00 0.00 C ATOM 1096 C THR A 68 7.222 4.291 5.688 1.00 0.00 C ATOM 1097 O THR A 68 7.516 4.295 4.487 1.00 0.00 O ATOM 1098 CB THR A 68 6.172 2.133 6.463 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.077 1.983 7.562 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.732 1.414 5.240 1.00 0.00 C ATOM 0 H THR A 68 5.249 4.021 4.229 1.00 0.00 H new ATOM 0 HA THR A 68 5.593 4.100 7.098 1.00 0.00 H new ATOM 0 HB THR A 68 5.212 1.684 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.575 1.999 8.404 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.893 0.363 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.025 1.495 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.679 1.870 4.952 1.00 0.00 H new ATOM 1108 N GLU A 69 7.953 4.907 6.608 1.00 0.00 N ATOM 1109 CA GLU A 69 9.242 5.481 6.283 1.00 0.00 C ATOM 1110 C GLU A 69 10.261 4.371 6.144 1.00 0.00 C ATOM 1111 O GLU A 69 10.354 3.490 7.002 1.00 0.00 O ATOM 1112 CB GLU A 69 9.686 6.453 7.375 1.00 0.00 C ATOM 1113 CG GLU A 69 8.537 7.216 7.977 1.00 0.00 C ATOM 1114 CD GLU A 69 8.986 8.316 8.916 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.615 8.006 9.951 1.00 0.00 O ATOM 1116 OE2 GLU A 69 8.706 9.497 8.632 1.00 0.00 O ATOM 0 H GLU A 69 7.672 5.019 7.582 1.00 0.00 H new ATOM 0 HA GLU A 69 9.160 6.028 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.200 5.900 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.406 7.157 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.938 7.651 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.892 6.524 8.519 1.00 0.00 H new ATOM 1123 N PHE A 70 11.024 4.415 5.077 1.00 0.00 N ATOM 1124 CA PHE A 70 11.942 3.333 4.780 1.00 0.00 C ATOM 1125 C PHE A 70 13.231 3.852 4.144 1.00 0.00 C ATOM 1126 O PHE A 70 13.289 4.993 3.680 1.00 0.00 O ATOM 1127 CB PHE A 70 11.276 2.269 3.887 1.00 0.00 C ATOM 1128 CG PHE A 70 10.913 2.716 2.490 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.661 4.043 2.195 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.808 1.783 1.474 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.317 4.431 0.919 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.465 2.159 0.192 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.217 3.488 -0.090 1.00 0.00 C ATOM 0 H PHE A 70 11.030 5.181 4.403 1.00 0.00 H new ATOM 0 HA PHE A 70 12.208 2.860 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.947 1.414 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.370 1.921 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.735 4.786 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.998 0.742 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.125 5.472 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.391 1.416 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.947 3.790 -1.091 1.00 0.00 H new ATOM 1143 N THR A 71 14.258 3.013 4.135 1.00 0.00 N ATOM 1144 CA THR A 71 15.503 3.324 3.452 1.00 0.00 C ATOM 1145 C THR A 71 15.806 2.241 2.413 1.00 0.00 C ATOM 1146 O THR A 71 16.491 1.261 2.709 1.00 0.00 O ATOM 1147 CB THR A 71 16.670 3.429 4.457 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.306 4.312 5.530 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.933 3.948 3.778 1.00 0.00 C ATOM 0 H THR A 71 14.251 2.104 4.598 1.00 0.00 H new ATOM 0 HA THR A 71 15.393 4.287 2.953 1.00 0.00 H new ATOM 0 HB THR A 71 16.874 2.433 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.048 4.376 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.739 4.012 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.222 3.267 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.742 4.937 3.361 1.00 0.00 H new ATOM 1157 N PRO A 72 15.247 2.382 1.193 1.00 0.00 N ATOM 1158 CA PRO A 72 15.418 1.406 0.103 1.00 0.00 C ATOM 1159 C PRO A 72 16.870 1.063 -0.195 1.00 0.00 C ATOM 1160 O PRO A 72 17.779 1.865 0.012 1.00 0.00 O ATOM 1161 CB PRO A 72 14.800 2.107 -1.124 1.00 0.00 C ATOM 1162 CG PRO A 72 14.582 3.526 -0.711 1.00 0.00 C ATOM 1163 CD PRO A 72 14.384 3.495 0.776 1.00 0.00 C ATOM 0 HA PRO A 72 14.952 0.457 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.465 2.048 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.861 1.635 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.437 4.147 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.712 3.950 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.680 4.434 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.341 3.321 1.042 1.00 0.00 H new ATOM 1171 N THR A 73 17.055 -0.143 -0.702 1.00 0.00 N ATOM 1172 CA THR A 73 18.331 -0.633 -1.151 1.00 0.00 C ATOM 1173 C THR A 73 18.089 -1.401 -2.446 1.00 0.00 C ATOM 1174 O THR A 73 16.941 -1.539 -2.865 1.00 0.00 O ATOM 1175 CB THR A 73 19.010 -1.571 -0.125 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.372 -2.848 -0.120 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.954 -0.983 1.276 1.00 0.00 C ATOM 0 H THR A 73 16.299 -0.819 -0.812 1.00 0.00 H new ATOM 0 HA THR A 73 19.000 0.216 -1.290 1.00 0.00 H new ATOM 0 HB THR A 73 20.053 -1.682 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.419 -2.738 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.439 -1.664 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.469 -0.022 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.914 -0.841 1.570 1.00 0.00 H new ATOM 1185 N GLU A 74 19.137 -1.880 -3.086 1.00 0.00 N ATOM 1186 CA GLU A 74 18.974 -2.700 -4.279 1.00 0.00 C ATOM 1187 C GLU A 74 18.614 -4.126 -3.902 1.00 0.00 C ATOM 1188 O GLU A 74 17.738 -4.744 -4.506 1.00 0.00 O ATOM 1189 CB GLU A 74 20.274 -2.639 -5.099 1.00 0.00 C ATOM 1190 CG GLU A 74 20.288 -3.398 -6.418 1.00 0.00 C ATOM 1191 CD GLU A 74 20.394 -4.902 -6.266 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.459 -5.621 -6.679 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.423 -5.371 -5.748 1.00 0.00 O ATOM 0 H GLU A 74 20.105 -1.720 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 74 18.155 -2.317 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.496 -1.592 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.085 -3.020 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.378 -3.163 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.126 -3.045 -7.019 1.00 0.00 H new ATOM 1200 N LYS A 75 19.259 -4.612 -2.866 1.00 0.00 N ATOM 1201 CA LYS A 75 19.202 -6.008 -2.531 1.00 0.00 C ATOM 1202 C LYS A 75 17.937 -6.352 -1.760 1.00 0.00 C ATOM 1203 O LYS A 75 17.528 -7.512 -1.711 1.00 0.00 O ATOM 1204 CB LYS A 75 20.445 -6.389 -1.737 1.00 0.00 C ATOM 1205 CG LYS A 75 21.741 -6.201 -2.518 1.00 0.00 C ATOM 1206 CD LYS A 75 22.677 -5.232 -1.819 1.00 0.00 C ATOM 1207 CE LYS A 75 23.822 -4.813 -2.730 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.814 -3.974 -2.009 1.00 0.00 N ATOM 0 H LYS A 75 19.834 -4.050 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 75 19.174 -6.584 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.486 -5.788 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.364 -7.431 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.237 -7.164 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.514 -5.832 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.120 -4.350 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.078 -5.696 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.315 -5.700 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.427 -4.259 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.580 -3.706 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.348 -3.116 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.209 -4.512 -1.211 1.00 0.00 H new ATOM 1222 N ASP A 76 17.311 -5.351 -1.158 1.00 0.00 N ATOM 1223 CA ASP A 76 16.058 -5.577 -0.448 1.00 0.00 C ATOM 1224 C ASP A 76 14.894 -5.017 -1.256 1.00 0.00 C ATOM 1225 O ASP A 76 15.105 -4.351 -2.270 1.00 0.00 O ATOM 1226 CB ASP A 76 16.114 -4.950 0.961 1.00 0.00 C ATOM 1227 CG ASP A 76 15.469 -3.584 1.062 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.923 -2.636 0.386 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.519 -3.463 1.854 1.00 0.00 O ATOM 0 H ASP A 76 17.643 -4.387 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 76 15.906 -6.650 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.624 -5.623 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.157 -4.870 1.269 1.00 0.00 H new ATOM 1234 N GLU A 77 13.674 -5.290 -0.813 1.00 0.00 N ATOM 1235 CA GLU A 77 12.490 -4.891 -1.561 1.00 0.00 C ATOM 1236 C GLU A 77 11.284 -4.827 -0.639 1.00 0.00 C ATOM 1237 O GLU A 77 11.206 -5.571 0.330 1.00 0.00 O ATOM 1238 CB GLU A 77 12.227 -5.883 -2.701 1.00 0.00 C ATOM 1239 CG GLU A 77 11.070 -5.480 -3.615 1.00 0.00 C ATOM 1240 CD GLU A 77 11.320 -4.139 -4.275 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.771 -4.116 -5.440 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.071 -3.104 -3.625 1.00 0.00 O ATOM 0 H GLU A 77 13.479 -5.784 0.058 1.00 0.00 H new ATOM 0 HA GLU A 77 12.661 -3.902 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.133 -5.983 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.017 -6.864 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.929 -6.242 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.147 -5.435 -3.036 1.00 0.00 H new ATOM 1249 N TYR A 78 10.347 -3.940 -0.930 1.00 0.00 N ATOM 1250 CA TYR A 78 9.166 -3.810 -0.101 1.00 0.00 C ATOM 1251 C TYR A 78 7.927 -4.034 -0.959 1.00 0.00 C ATOM 1252 O TYR A 78 7.952 -3.813 -2.170 1.00 0.00 O ATOM 1253 CB TYR A 78 9.097 -2.436 0.621 1.00 0.00 C ATOM 1254 CG TYR A 78 10.390 -1.940 1.276 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.395 -1.494 2.599 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.591 -1.878 0.575 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.552 -1.012 3.191 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.747 -1.407 1.166 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.721 -0.975 2.473 1.00 0.00 C ATOM 1260 OH TYR A 78 13.868 -0.495 3.066 1.00 0.00 O ATOM 0 H TYR A 78 10.382 -3.305 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 78 9.216 -4.566 0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.772 -1.687 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.326 -2.493 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.480 -1.525 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.619 -2.205 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.534 -0.667 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.669 -1.378 0.604 1.00 0.00 H new ATOM 0 HH TYR A 78 14.609 -0.536 2.426 1.00 0.00 H new ATOM 1270 N ALA A 79 6.851 -4.495 -0.346 1.00 0.00 N ATOM 1271 CA ALA A 79 5.657 -4.887 -1.095 1.00 0.00 C ATOM 1272 C ALA A 79 4.382 -4.424 -0.397 1.00 0.00 C ATOM 1273 O ALA A 79 4.414 -4.030 0.757 1.00 0.00 O ATOM 1274 CB ALA A 79 5.641 -6.392 -1.288 1.00 0.00 C ATOM 0 H ALA A 79 6.774 -4.609 0.665 1.00 0.00 H new ATOM 0 HA ALA A 79 5.692 -4.401 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.750 -6.678 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.529 -6.697 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.633 -6.884 -0.315 1.00 0.00 H new ATOM 1280 N CYS A 80 3.277 -4.417 -1.129 1.00 0.00 N ATOM 1281 CA CYS A 80 1.969 -4.082 -0.568 1.00 0.00 C ATOM 1282 C CYS A 80 1.045 -5.302 -0.583 1.00 0.00 C ATOM 1283 O CYS A 80 0.935 -5.991 -1.595 1.00 0.00 O ATOM 1284 CB CYS A 80 1.320 -2.948 -1.368 1.00 0.00 C ATOM 1285 SG CYS A 80 1.724 -1.270 -0.788 1.00 0.00 S ATOM 0 H CYS A 80 3.258 -4.642 -2.124 1.00 0.00 H new ATOM 0 HA CYS A 80 2.118 -3.760 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.624 -3.039 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.238 -3.076 -1.339 1.00 0.00 H new ATOM 1290 N ARG A 81 0.394 -5.560 0.545 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.579 -6.649 0.676 1.00 0.00 C ATOM 1292 C ARG A 81 -1.935 -6.073 1.064 1.00 0.00 C ATOM 1293 O ARG A 81 -2.006 -5.187 1.904 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.138 -7.613 1.779 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.916 -8.936 1.833 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.544 -9.750 3.076 1.00 0.00 C ATOM 1297 NE ARG A 81 -1.684 -10.395 3.709 1.00 0.00 N ATOM 1298 CZ ARG A 81 -1.953 -10.279 5.006 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -1.242 -9.454 5.765 1.00 0.00 N ATOM 1300 NH2 ARG A 81 -2.942 -10.970 5.545 1.00 0.00 N ATOM 0 H ARG A 81 0.523 -5.020 1.401 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.645 -7.176 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.920 -7.836 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.238 -7.111 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.987 -8.731 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.707 -9.520 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.186 -10.511 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.060 -9.094 3.799 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.305 -10.962 3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.486 -8.906 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.451 -9.368 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.502 -11.595 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.145 -10.878 6.540 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.006 -6.562 0.462 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.344 -6.159 0.901 1.00 0.00 C ATOM 1316 C VAL A 82 -5.252 -7.364 1.043 1.00 0.00 C ATOM 1317 O VAL A 82 -5.148 -8.340 0.299 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.019 -5.116 -0.019 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.001 -4.148 -0.553 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.792 -5.763 -1.149 1.00 0.00 C ATOM 0 H VAL A 82 -2.985 -7.223 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.196 -5.681 1.869 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.741 -4.568 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.494 -3.421 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.521 -3.630 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.249 -4.690 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.248 -4.990 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.114 -6.362 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.571 -6.404 -0.737 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.109 -7.295 2.036 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.062 -8.354 2.307 1.00 0.00 C ATOM 1332 C ASN A 83 -8.485 -7.835 2.222 1.00 0.00 C ATOM 1333 O ASN A 83 -8.847 -6.903 2.941 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.846 -8.926 3.713 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.422 -9.374 3.973 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.107 -10.555 3.878 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.549 -8.430 4.293 1.00 0.00 N ATOM 0 H ASN A 83 -6.167 -6.506 2.679 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.907 -9.131 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.121 -8.171 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.517 -9.773 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.575 -8.675 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.851 -7.458 4.362 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.291 -8.420 1.346 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.711 -8.127 1.317 1.00 0.00 C ATOM 1346 C HIS A 84 -11.461 -9.393 0.939 1.00 0.00 C ATOM 1347 O HIS A 84 -10.850 -10.355 0.472 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.025 -7.009 0.322 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.293 -6.271 0.640 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.452 -6.514 -0.057 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.531 -5.312 1.573 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.362 -5.704 0.458 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.851 -4.958 1.448 1.00 0.00 N ATOM 0 H HIS A 84 -8.983 -9.098 0.649 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.025 -7.786 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.195 -6.302 0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.101 -7.434 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.819 -4.907 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.387 -5.650 0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.348 -4.261 2.002 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.766 -9.406 1.153 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.575 -10.577 0.842 1.00 0.00 C ATOM 1363 C VAL A 85 -13.621 -10.830 -0.670 1.00 0.00 C ATOM 1364 O VAL A 85 -13.838 -11.958 -1.114 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.014 -10.425 1.395 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.760 -9.304 0.686 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.781 -11.738 1.289 1.00 0.00 C ATOM 0 H VAL A 85 -13.289 -8.621 1.540 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.106 -11.434 1.325 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.938 -10.162 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.767 -9.221 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.230 -8.363 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.819 -9.523 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.788 -11.604 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.839 -12.042 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.266 -12.508 1.863 1.00 0.00 H new ATOM 1377 N THR A 86 -13.399 -9.784 -1.460 1.00 0.00 N ATOM 1378 CA THR A 86 -13.504 -9.891 -2.904 1.00 0.00 C ATOM 1379 C THR A 86 -12.349 -10.681 -3.480 1.00 0.00 C ATOM 1380 O THR A 86 -12.535 -11.553 -4.331 1.00 0.00 O ATOM 1381 CB THR A 86 -13.511 -8.506 -3.560 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.270 -7.839 -3.304 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.653 -7.665 -3.033 1.00 0.00 C ATOM 0 H THR A 86 -13.146 -8.856 -1.121 1.00 0.00 H new ATOM 0 HA THR A 86 -14.442 -10.405 -3.114 1.00 0.00 H new ATOM 0 HB THR A 86 -13.642 -8.639 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.688 -7.919 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.637 -6.687 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.600 -8.160 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.547 -7.541 -1.955 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.157 -10.364 -3.009 1.00 0.00 N ATOM 1392 CA LEU A 87 -9.964 -10.997 -3.510 1.00 0.00 C ATOM 1393 C LEU A 87 -9.926 -12.430 -3.008 1.00 0.00 C ATOM 1394 O LEU A 87 -9.914 -12.668 -1.799 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.711 -10.229 -3.065 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.610 -8.787 -3.581 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.257 -8.184 -3.234 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.840 -8.738 -5.084 1.00 0.00 C ATOM 0 H LEU A 87 -10.995 -9.670 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.978 -10.993 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.684 -10.211 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.830 -10.779 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.386 -8.198 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.207 -7.162 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.127 -8.180 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.466 -8.778 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.764 -7.707 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.088 -9.346 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.833 -9.126 -5.313 1.00 0.00 H new ATOM 1410 N SER A 88 -9.932 -13.377 -3.931 1.00 0.00 N ATOM 1411 CA SER A 88 -9.978 -14.785 -3.577 1.00 0.00 C ATOM 1412 C SER A 88 -8.677 -15.199 -2.886 1.00 0.00 C ATOM 1413 O SER A 88 -8.590 -16.263 -2.274 1.00 0.00 O ATOM 1414 CB SER A 88 -10.265 -15.619 -4.831 1.00 0.00 C ATOM 1415 OG SER A 88 -9.349 -15.316 -5.873 1.00 0.00 O ATOM 0 H SER A 88 -9.905 -13.195 -4.934 1.00 0.00 H new ATOM 0 HA SER A 88 -10.786 -14.965 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.204 -16.680 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.283 -15.429 -5.172 1.00 0.00 H new ATOM 0 HG SER A 88 -9.555 -15.864 -6.659 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.675 -14.327 -2.989 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.425 -14.425 -2.248 1.00 0.00 C ATOM 1423 C GLN A 89 -6.000 -12.989 -1.946 1.00 0.00 C ATOM 1424 O GLN A 89 -6.087 -12.152 -2.848 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.325 -15.079 -3.105 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.782 -16.255 -3.954 1.00 0.00 C ATOM 1427 CD GLN A 89 -4.778 -16.619 -5.026 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.572 -16.437 -4.858 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.270 -17.134 -6.140 1.00 0.00 N ATOM 0 H GLN A 89 -7.714 -13.515 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.564 -15.028 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.899 -14.321 -3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.525 -15.416 -2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.952 -17.119 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.736 -16.013 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.276 -17.268 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.643 -17.397 -6.901 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.597 -12.633 -0.700 1.00 0.00 N ATOM 1439 CA PRO A 90 -4.990 -11.321 -0.441 1.00 0.00 C ATOM 1440 C PRO A 90 -3.958 -10.973 -1.496 1.00 0.00 C ATOM 1441 O PRO A 90 -3.256 -11.847 -2.012 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.342 -11.518 0.918 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.316 -12.398 1.607 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.736 -13.411 0.559 1.00 0.00 C ATOM 0 HA PRO A 90 -5.707 -10.501 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.360 -11.984 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.204 -10.573 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.865 -12.887 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.171 -11.830 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.096 -14.293 0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.758 -13.757 0.713 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.842 -9.702 -1.795 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.139 -9.295 -2.978 1.00 0.00 C ATOM 1454 C LYS A 91 -1.816 -8.659 -2.633 1.00 0.00 C ATOM 1455 O LYS A 91 -1.756 -7.742 -1.819 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.969 -8.318 -3.772 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.445 -8.191 -5.168 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.463 -9.557 -5.816 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.223 -9.548 -7.130 1.00 0.00 C ATOM 1460 NZ LYS A 91 -3.562 -8.715 -8.170 1.00 0.00 N ATOM 0 H LYS A 91 -4.224 -8.939 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.954 -10.187 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.007 -8.651 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.958 -7.343 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.057 -7.493 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.431 -7.791 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.440 -9.890 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.921 -10.276 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.319 -10.570 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.232 -9.174 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.122 -8.744 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.493 -7.733 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.608 -9.085 -8.357 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.761 -9.154 -3.251 1.00 0.00 N ATOM 1475 CA ILE A 92 0.554 -8.572 -3.071 1.00 0.00 C ATOM 1476 C ILE A 92 1.021 -7.910 -4.354 1.00 0.00 C ATOM 1477 O ILE A 92 1.011 -8.515 -5.429 1.00 0.00 O ATOM 1478 CB ILE A 92 1.625 -9.598 -2.633 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.319 -10.169 -1.243 1.00 0.00 C ATOM 1480 CG2 ILE A 92 3.008 -8.959 -2.641 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.267 -11.255 -1.231 1.00 0.00 C ATOM 0 H ILE A 92 -0.789 -9.956 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 92 0.446 -7.839 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 92 1.607 -10.420 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.240 -10.567 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.992 -9.357 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.750 -9.694 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.242 -8.610 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.023 -8.115 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.113 -11.601 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.669 -10.859 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.597 -12.089 -1.851 1.00 0.00 H new ATOM 1493 N VAL A 93 1.403 -6.664 -4.230 1.00 0.00 N ATOM 1494 CA VAL A 93 2.012 -5.928 -5.312 1.00 0.00 C ATOM 1495 C VAL A 93 3.319 -5.347 -4.817 1.00 0.00 C ATOM 1496 O VAL A 93 3.362 -4.697 -3.776 1.00 0.00 O ATOM 1497 CB VAL A 93 1.095 -4.801 -5.833 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.788 -3.998 -6.921 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.211 -5.379 -6.355 1.00 0.00 C ATOM 0 H VAL A 93 1.300 -6.127 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 93 2.184 -6.609 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 93 0.875 -4.131 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.122 -3.210 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.698 -3.552 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.042 -4.655 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.847 -4.572 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.002 -6.072 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.722 -5.909 -5.551 1.00 0.00 H new ATOM 1509 N LYS A 94 4.382 -5.607 -5.543 1.00 0.00 N ATOM 1510 CA LYS A 94 5.687 -5.141 -5.132 1.00 0.00 C ATOM 1511 C LYS A 94 5.859 -3.682 -5.499 1.00 0.00 C ATOM 1512 O LYS A 94 5.331 -3.221 -6.513 1.00 0.00 O ATOM 1513 CB LYS A 94 6.787 -5.964 -5.771 1.00 0.00 C ATOM 1514 CG LYS A 94 6.943 -7.361 -5.203 1.00 0.00 C ATOM 1515 CD LYS A 94 8.111 -8.059 -5.869 1.00 0.00 C ATOM 1516 CE LYS A 94 8.651 -9.204 -5.032 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.627 -10.254 -4.788 1.00 0.00 N ATOM 0 H LYS A 94 4.370 -6.135 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 94 5.759 -5.253 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.590 -6.041 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.732 -5.433 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.104 -7.310 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.028 -7.932 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.798 -8.439 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.907 -7.337 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.510 -9.647 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.007 -8.817 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.059 -11.046 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.849 -9.856 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.256 -10.595 -5.698 1.00 0.00 H new ATOM 1531 N TRP A 95 6.588 -2.966 -4.660 1.00 0.00 N ATOM 1532 CA TRP A 95 6.841 -1.559 -4.886 1.00 0.00 C ATOM 1533 C TRP A 95 7.736 -1.390 -6.103 1.00 0.00 C ATOM 1534 O TRP A 95 8.945 -1.610 -6.047 1.00 0.00 O ATOM 1535 CB TRP A 95 7.469 -0.900 -3.651 1.00 0.00 C ATOM 1536 CG TRP A 95 7.880 0.508 -3.922 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.068 1.542 -4.286 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.207 1.033 -3.870 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.815 2.675 -4.482 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.130 2.388 -4.229 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.455 0.484 -3.560 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.249 3.204 -4.286 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.570 1.298 -3.612 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.459 2.649 -3.977 1.00 0.00 C ATOM 0 H TRP A 95 7.015 -3.341 -3.813 1.00 0.00 H new ATOM 0 HA TRP A 95 5.890 -1.060 -5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.755 -0.918 -2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.337 -1.477 -3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.996 1.478 -4.402 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.451 3.583 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.546 -0.557 -3.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.167 4.244 -4.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.540 0.890 -3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.347 3.262 -4.014 1.00 0.00 H new ATOM 1555 N ASP A 96 7.128 -1.010 -7.208 1.00 0.00 N ATOM 1556 CA ASP A 96 7.836 -0.923 -8.464 1.00 0.00 C ATOM 1557 C ASP A 96 8.450 0.453 -8.656 1.00 0.00 C ATOM 1558 O ASP A 96 7.753 1.466 -8.697 1.00 0.00 O ATOM 1559 CB ASP A 96 6.907 -1.261 -9.636 1.00 0.00 C ATOM 1560 CG ASP A 96 5.711 -0.330 -9.741 1.00 0.00 C ATOM 1561 OD1 ASP A 96 4.745 -0.501 -8.969 1.00 0.00 O ATOM 1562 OD2 ASP A 96 5.721 0.561 -10.617 1.00 0.00 O ATOM 0 H ASP A 96 6.141 -0.756 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 96 8.644 -1.654 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.475 -1.218 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.553 -2.286 -9.526 1.00 0.00 H new ATOM 1567 N ARG A 97 9.767 0.484 -8.732 1.00 0.00 N ATOM 1568 CA ARG A 97 10.481 1.702 -9.066 1.00 0.00 C ATOM 1569 C ARG A 97 10.789 1.723 -10.565 1.00 0.00 C ATOM 1570 O ARG A 97 10.719 2.766 -11.213 1.00 0.00 O ATOM 1571 CB ARG A 97 11.783 1.801 -8.244 1.00 0.00 C ATOM 1572 CG ARG A 97 12.699 0.579 -8.386 1.00 0.00 C ATOM 1573 CD ARG A 97 12.725 -0.319 -7.143 1.00 0.00 C ATOM 1574 NE ARG A 97 13.659 0.165 -6.129 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.030 -0.550 -5.061 1.00 0.00 C ATOM 1576 NH1 ARG A 97 13.431 -1.706 -4.778 1.00 0.00 N ATOM 1577 NH2 ARG A 97 14.990 -0.099 -4.260 1.00 0.00 N ATOM 0 H ARG A 97 10.367 -0.324 -8.566 1.00 0.00 H new ATOM 0 HA ARG A 97 9.857 2.562 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.330 2.691 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.529 1.933 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.373 -0.011 -9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.713 0.918 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.724 -0.373 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.002 -1.332 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 97 14.050 1.100 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.683 -2.053 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.721 -2.244 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.444 0.792 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.273 -0.644 -3.446 1.00 0.00 H new ATOM 1591 N ASP A 98 11.125 0.551 -11.098 1.00 0.00 N ATOM 1592 CA ASP A 98 11.429 0.385 -12.519 1.00 0.00 C ATOM 1593 C ASP A 98 10.719 -0.845 -13.045 1.00 0.00 C ATOM 1594 O ASP A 98 10.752 -1.146 -14.239 1.00 0.00 O ATOM 1595 CB ASP A 98 12.932 0.187 -12.730 1.00 0.00 C ATOM 1596 CG ASP A 98 13.758 1.427 -12.467 1.00 0.00 C ATOM 1597 OD1 ASP A 98 14.296 2.002 -13.436 1.00 0.00 O ATOM 1598 OD2 ASP A 98 13.908 1.815 -11.291 1.00 0.00 O ATOM 0 H ASP A 98 11.195 -0.311 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 98 11.099 1.281 -13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.278 -0.613 -12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.105 -0.142 -13.755 1.00 0.00 H new ATOM 1603 N MET A 99 10.092 -1.558 -12.127 1.00 0.00 N ATOM 1604 CA MET A 99 9.507 -2.857 -12.420 1.00 0.00 C ATOM 1605 C MET A 99 8.217 -2.696 -13.211 1.00 0.00 C ATOM 1606 CB MET A 99 9.238 -3.631 -11.124 1.00 0.00 C ATOM 1607 CG MET A 99 10.327 -3.476 -10.069 1.00 0.00 C ATOM 1608 SD MET A 99 11.986 -3.807 -10.698 1.00 0.00 S ATOM 1609 CE MET A 99 11.861 -5.547 -11.103 1.00 0.00 C ATOM 0 H MET A 99 9.973 -1.256 -11.160 1.00 0.00 H new ATOM 0 HA MET A 99 10.218 -3.422 -13.023 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.290 -3.296 -10.704 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.125 -4.689 -11.362 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.294 -2.463 -9.669 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.119 -4.153 -9.240 1.00 0.00 H new ATOM 0 HE1 MET A 99 12.843 -5.926 -11.386 1.00 0.00 H new ATOM 0 HE2 MET A 99 11.496 -6.097 -10.236 1.00 0.00 H new ATOM 0 HE3 MET A 99 11.168 -5.678 -11.934 1.00 0.00 H new TER 1619 MET A 99