USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 53 THR OG1 : rot 142:sc= 0.67 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.12 X(o=-0.45,f=-0.058) USER MOD Set 2.1: A 38 TYR OH : rot 1:sc= 1.3 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -0.915 K(o=0.39,f=-7.3!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.000715 USER MOD Single : A 8 ASN : amide:sc= -7.64! C(o=-7.6!,f=-19!) USER MOD Single : A 9 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 77:sc= -1.24 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.465 USER MOD Single : A 35 ASN : amide:sc= -0.824 K(o=-0.82,f=-4.4!) USER MOD Single : A 36 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.086) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 48 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -21:sc= 1.02 USER MOD Single : A 57 ASN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.05 K(o=-1,f=-5.8!) USER MOD Single : A 70 MET CE :methyl -171:sc= -5.03! (180deg=-5.75!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.1) USER MOD Single : A 86 THR OG1 : rot -42:sc= 0.679! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -12.4! C(o=-12!,f=-7.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.840 -9.191 -4.918 1.00 0.00 N ATOM 38 CA LEU A 3 -0.121 -8.367 -4.193 1.00 0.00 C ATOM 39 C LEU A 3 -1.526 -8.526 -4.765 1.00 0.00 C ATOM 40 O LEU A 3 -1.706 -8.644 -5.977 1.00 0.00 O ATOM 41 CB LEU A 3 0.298 -6.896 -4.249 1.00 0.00 C ATOM 42 CG LEU A 3 0.234 -6.256 -5.638 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.070 -4.749 -5.524 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.480 -6.601 -6.438 1.00 0.00 C ATOM 0 HA LEU A 3 -0.134 -8.700 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.340 -6.326 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.317 -6.810 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.634 -6.655 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.026 -4.311 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.852 -4.523 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.918 -4.331 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.419 -6.139 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.362 -6.229 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.553 -7.683 -6.549 1.00 0.00 H new ATOM 56 N ASN A 4 -2.519 -8.523 -3.882 1.00 0.00 N ATOM 57 CA ASN A 4 -3.913 -8.661 -4.292 1.00 0.00 C ATOM 58 C ASN A 4 -4.780 -7.610 -3.607 1.00 0.00 C ATOM 59 O ASN A 4 -4.569 -7.282 -2.440 1.00 0.00 O ATOM 60 CB ASN A 4 -4.429 -10.063 -3.960 1.00 0.00 C ATOM 61 CG ASN A 4 -4.396 -10.990 -5.160 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.419 -11.240 -5.796 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.214 -11.509 -5.475 1.00 0.00 N ATOM 0 H ASN A 4 -2.384 -8.426 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.969 -8.510 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.826 -10.489 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.451 -9.992 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.130 -12.141 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.390 -11.275 -4.921 1.00 0.00 H new ATOM 70 N ILE A 5 -5.756 -7.081 -4.338 1.00 0.00 N ATOM 71 CA ILE A 5 -6.650 -6.064 -3.792 1.00 0.00 C ATOM 72 C ILE A 5 -8.110 -6.478 -3.928 1.00 0.00 C ATOM 73 O ILE A 5 -8.474 -7.234 -4.827 1.00 0.00 O ATOM 74 CB ILE A 5 -6.456 -4.696 -4.481 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.015 -4.875 -5.937 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.446 -3.856 -3.716 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.441 -3.737 -6.839 1.00 0.00 C ATOM 0 H ILE A 5 -5.948 -7.338 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.394 -5.969 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.413 -4.175 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.930 -4.969 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.428 -5.808 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.320 -2.895 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.804 -3.694 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.489 -4.377 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.096 -3.929 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.528 -3.656 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.007 -2.805 -6.478 1.00 0.00 H new ATOM 89 N THR A 6 -8.943 -5.962 -3.032 1.00 0.00 N ATOM 90 CA THR A 6 -10.369 -6.258 -3.044 1.00 0.00 C ATOM 91 C THR A 6 -11.165 -5.015 -2.668 1.00 0.00 C ATOM 92 O THR A 6 -11.012 -4.476 -1.571 1.00 0.00 O ATOM 93 CB THR A 6 -10.686 -7.399 -2.077 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.770 -8.466 -2.242 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.081 -7.961 -2.253 1.00 0.00 C ATOM 0 H THR A 6 -8.652 -5.333 -2.284 1.00 0.00 H new ATOM 0 HA THR A 6 -10.651 -6.567 -4.050 1.00 0.00 H new ATOM 0 HB THR A 6 -10.609 -6.963 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.989 -9.185 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.242 -8.767 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.815 -7.173 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.192 -8.348 -3.266 1.00 0.00 H new ATOM 103 N GLY A 7 -12.010 -4.556 -3.585 1.00 0.00 N ATOM 104 CA GLY A 7 -12.804 -3.371 -3.329 1.00 0.00 C ATOM 105 C GLY A 7 -14.229 -3.691 -2.923 1.00 0.00 C ATOM 106 O GLY A 7 -14.967 -4.333 -3.671 1.00 0.00 O ATOM 0 H GLY A 7 -12.158 -4.983 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.330 -2.786 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.818 -2.749 -4.224 1.00 0.00 H new ATOM 110 N ASN A 8 -14.617 -3.232 -1.737 1.00 0.00 N ATOM 111 CA ASN A 8 -15.965 -3.460 -1.229 1.00 0.00 C ATOM 112 C ASN A 8 -16.843 -2.240 -1.481 1.00 0.00 C ATOM 113 O ASN A 8 -16.605 -1.169 -0.924 1.00 0.00 O ATOM 114 CB ASN A 8 -15.921 -3.767 0.269 1.00 0.00 C ATOM 115 CG ASN A 8 -15.196 -2.700 1.050 1.00 0.00 C ATOM 116 OD1 ASN A 8 -15.805 -1.721 1.472 1.00 0.00 O ATOM 117 ND2 ASN A 8 -13.897 -2.884 1.247 1.00 0.00 N ATOM 0 H ASN A 8 -14.015 -2.699 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.391 -4.314 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.938 -3.864 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.430 -4.727 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.358 -2.194 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.438 -3.715 0.875 1.00 0.00 H new ATOM 124 N ASN A 9 -17.855 -2.404 -2.327 1.00 0.00 N ATOM 125 CA ASN A 9 -18.760 -1.308 -2.653 1.00 0.00 C ATOM 126 C ASN A 9 -18.019 -0.205 -3.400 1.00 0.00 C ATOM 127 O ASN A 9 -18.292 0.981 -3.213 1.00 0.00 O ATOM 128 CB ASN A 9 -19.394 -0.741 -1.380 1.00 0.00 C ATOM 129 CG ASN A 9 -20.630 0.089 -1.668 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.901 0.444 -2.815 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.386 0.405 -0.622 1.00 0.00 N ATOM 0 H ASN A 9 -18.069 -3.283 -2.798 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.549 -1.698 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.658 -1.561 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.662 -0.127 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.229 0.964 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.123 0.089 0.311 1.00 0.00 H new ATOM 138 N VAL A 10 -17.079 -0.607 -4.251 1.00 0.00 N ATOM 139 CA VAL A 10 -16.296 0.339 -5.034 1.00 0.00 C ATOM 140 C VAL A 10 -15.845 -0.287 -6.350 1.00 0.00 C ATOM 141 O VAL A 10 -15.369 -1.422 -6.375 1.00 0.00 O ATOM 142 CB VAL A 10 -15.064 0.835 -4.257 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.159 -0.328 -3.899 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.307 1.884 -5.058 1.00 0.00 C ATOM 0 H VAL A 10 -16.842 -1.585 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.942 1.192 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.405 1.300 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.293 0.041 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.707 -1.038 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.826 -0.824 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.440 2.220 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.976 1.452 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.962 2.732 -5.257 1.00 0.00 H new ATOM 154 N GLU A 11 -15.997 0.456 -7.441 1.00 0.00 N ATOM 155 CA GLU A 11 -15.602 -0.033 -8.756 1.00 0.00 C ATOM 156 C GLU A 11 -14.085 -0.013 -8.910 1.00 0.00 C ATOM 157 O GLU A 11 -13.465 1.051 -8.913 1.00 0.00 O ATOM 158 CB GLU A 11 -16.256 0.811 -9.853 1.00 0.00 C ATOM 159 CG GLU A 11 -17.031 -0.010 -10.871 1.00 0.00 C ATOM 160 CD GLU A 11 -16.148 -0.976 -11.635 1.00 0.00 C ATOM 161 OE1 GLU A 11 -15.062 -1.322 -11.122 1.00 0.00 O ATOM 162 OE2 GLU A 11 -16.542 -1.389 -12.746 1.00 0.00 O ATOM 0 H GLU A 11 -16.390 1.397 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.942 -1.064 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.930 1.533 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.484 1.381 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.816 -0.568 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.523 0.661 -11.575 1.00 0.00 H new ATOM 169 N ILE A 12 -13.494 -1.196 -9.043 1.00 0.00 N ATOM 170 CA ILE A 12 -12.049 -1.315 -9.200 1.00 0.00 C ATOM 171 C ILE A 12 -11.620 -0.940 -10.615 1.00 0.00 C ATOM 172 O ILE A 12 -11.629 -1.775 -11.518 1.00 0.00 O ATOM 173 CB ILE A 12 -11.566 -2.745 -8.889 1.00 0.00 C ATOM 174 CG1 ILE A 12 -12.068 -3.190 -7.514 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.046 -2.823 -8.956 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.451 -2.422 -6.366 1.00 0.00 C ATOM 0 H ILE A 12 -13.993 -2.085 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.594 -0.625 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.976 -3.419 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.151 -3.074 -7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.856 -4.251 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.724 -3.840 -8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.711 -2.547 -9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.614 -2.138 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.854 -2.791 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.370 -2.558 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.685 -1.362 -6.470 1.00 0.00 H new ATOM 188 N THR A 13 -11.242 0.321 -10.798 1.00 0.00 N ATOM 189 CA THR A 13 -10.807 0.807 -12.101 1.00 0.00 C ATOM 190 C THR A 13 -9.284 0.789 -12.204 1.00 0.00 C ATOM 191 O THR A 13 -8.588 1.020 -11.215 1.00 0.00 O ATOM 192 CB THR A 13 -11.332 2.221 -12.343 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.688 3.148 -11.487 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.823 2.353 -12.121 1.00 0.00 C ATOM 0 H THR A 13 -11.228 1.025 -10.060 1.00 0.00 H new ATOM 0 HA THR A 13 -11.213 0.144 -12.865 1.00 0.00 H new ATOM 0 HB THR A 13 -11.117 2.433 -13.390 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.036 4.048 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.129 3.382 -12.310 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.353 1.686 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.063 2.086 -11.092 1.00 0.00 H new ATOM 202 N GLU A 14 -8.779 0.500 -13.402 1.00 0.00 N ATOM 203 CA GLU A 14 -7.337 0.433 -13.655 1.00 0.00 C ATOM 204 C GLU A 14 -6.558 1.464 -12.837 1.00 0.00 C ATOM 205 O GLU A 14 -5.523 1.145 -12.250 1.00 0.00 O ATOM 206 CB GLU A 14 -7.056 0.638 -15.145 1.00 0.00 C ATOM 207 CG GLU A 14 -7.046 -0.654 -15.945 1.00 0.00 C ATOM 208 CD GLU A 14 -8.441 -1.123 -16.311 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.399 -0.742 -15.607 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.575 -1.873 -17.300 1.00 0.00 O ATOM 0 H GLU A 14 -9.353 0.306 -14.223 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.000 -0.557 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.810 1.307 -15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.092 1.134 -15.260 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.465 -0.509 -16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.545 -1.431 -15.367 1.00 0.00 H new ATOM 217 N ALA A 15 -7.056 2.695 -12.802 1.00 0.00 N ATOM 218 CA ALA A 15 -6.399 3.764 -12.058 1.00 0.00 C ATOM 219 C ALA A 15 -6.282 3.416 -10.577 1.00 0.00 C ATOM 220 O ALA A 15 -5.226 3.588 -9.968 1.00 0.00 O ATOM 221 CB ALA A 15 -7.157 5.071 -12.236 1.00 0.00 C ATOM 0 H ALA A 15 -7.912 2.978 -13.280 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.391 3.882 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.657 5.861 -11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.182 5.336 -13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.176 4.954 -11.867 1.00 0.00 H new ATOM 227 N LEU A 16 -7.378 2.940 -9.999 1.00 0.00 N ATOM 228 CA LEU A 16 -7.404 2.580 -8.585 1.00 0.00 C ATOM 229 C LEU A 16 -6.415 1.455 -8.277 1.00 0.00 C ATOM 230 O LEU A 16 -5.614 1.560 -7.348 1.00 0.00 O ATOM 231 CB LEU A 16 -8.817 2.161 -8.174 1.00 0.00 C ATOM 232 CG LEU A 16 -9.305 2.737 -6.843 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.517 2.147 -5.684 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.192 4.254 -6.847 1.00 0.00 C ATOM 0 H LEU A 16 -8.262 2.794 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.106 3.457 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.511 2.463 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.854 1.073 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.354 2.469 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.878 2.569 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.647 1.065 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.460 2.384 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.543 4.648 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.151 4.541 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.801 4.662 -7.654 1.00 0.00 H new ATOM 246 N ARG A 17 -6.485 0.377 -9.051 1.00 0.00 N ATOM 247 CA ARG A 17 -5.604 -0.770 -8.847 1.00 0.00 C ATOM 248 C ARG A 17 -4.144 -0.418 -9.124 1.00 0.00 C ATOM 249 O ARG A 17 -3.257 -0.773 -8.348 1.00 0.00 O ATOM 250 CB ARG A 17 -6.037 -1.939 -9.735 1.00 0.00 C ATOM 251 CG ARG A 17 -6.035 -1.616 -11.220 1.00 0.00 C ATOM 252 CD ARG A 17 -6.416 -2.828 -12.053 1.00 0.00 C ATOM 253 NE ARG A 17 -5.246 -3.613 -12.445 1.00 0.00 N ATOM 254 CZ ARG A 17 -5.239 -4.481 -13.453 1.00 0.00 C ATOM 255 NH1 ARG A 17 -6.335 -4.683 -14.173 1.00 0.00 N ATOM 256 NH2 ARG A 17 -4.132 -5.151 -13.741 1.00 0.00 N ATOM 0 H ARG A 17 -7.141 0.272 -9.825 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.685 -1.063 -7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.373 -2.784 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.039 -2.253 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.734 -0.803 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.046 -1.266 -11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.101 -3.457 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.949 -2.501 -12.946 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.384 -3.487 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.190 -4.171 -13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.323 -5.350 -14.945 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.287 -5.001 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.125 -5.817 -14.514 1.00 0.00 H new ATOM 270 N GLU A 18 -3.895 0.274 -10.232 1.00 0.00 N ATOM 271 CA GLU A 18 -2.534 0.655 -10.594 1.00 0.00 C ATOM 272 C GLU A 18 -1.916 1.547 -9.520 1.00 0.00 C ATOM 273 O GLU A 18 -0.771 1.346 -9.117 1.00 0.00 O ATOM 274 CB GLU A 18 -2.513 1.365 -11.953 1.00 0.00 C ATOM 275 CG GLU A 18 -3.087 2.771 -11.924 1.00 0.00 C ATOM 276 CD GLU A 18 -3.049 3.443 -13.284 1.00 0.00 C ATOM 277 OE1 GLU A 18 -3.252 2.744 -14.298 1.00 0.00 O ATOM 278 OE2 GLU A 18 -2.816 4.669 -13.333 1.00 0.00 O ATOM 0 H GLU A 18 -4.612 0.580 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.939 -0.255 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.485 1.411 -12.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.075 0.769 -12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.117 2.732 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.527 3.374 -11.209 1.00 0.00 H new ATOM 285 N PHE A 19 -2.682 2.531 -9.058 1.00 0.00 N ATOM 286 CA PHE A 19 -2.208 3.453 -8.029 1.00 0.00 C ATOM 287 C PHE A 19 -1.707 2.694 -6.804 1.00 0.00 C ATOM 288 O PHE A 19 -0.625 2.976 -6.288 1.00 0.00 O ATOM 289 CB PHE A 19 -3.326 4.414 -7.624 1.00 0.00 C ATOM 290 CG PHE A 19 -2.900 5.439 -6.614 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.005 6.439 -6.957 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.395 5.402 -5.320 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.610 7.384 -6.028 1.00 0.00 C ATOM 294 CE2 PHE A 19 -3.005 6.344 -4.386 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.111 7.336 -4.742 1.00 0.00 C ATOM 0 H PHE A 19 -3.633 2.711 -9.379 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.377 4.024 -8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.695 4.924 -8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.158 3.839 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.611 6.481 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.094 4.628 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.911 8.158 -6.308 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.398 6.305 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.804 8.073 -4.015 1.00 0.00 H new ATOM 305 N VAL A 20 -2.497 1.730 -6.343 1.00 0.00 N ATOM 306 CA VAL A 20 -2.126 0.931 -5.179 1.00 0.00 C ATOM 307 C VAL A 20 -0.839 0.157 -5.440 1.00 0.00 C ATOM 308 O VAL A 20 0.111 0.232 -4.661 1.00 0.00 O ATOM 309 CB VAL A 20 -3.238 -0.063 -4.793 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.982 -0.642 -3.410 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.606 0.606 -4.855 1.00 0.00 C ATOM 0 H VAL A 20 -3.396 1.483 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.975 1.627 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.229 -0.882 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.778 -1.342 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.025 -1.164 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.959 0.164 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.376 -0.114 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.631 1.448 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.791 0.964 -5.868 1.00 0.00 H new ATOM 321 N THR A 21 -0.815 -0.584 -6.543 1.00 0.00 N ATOM 322 CA THR A 21 0.355 -1.371 -6.910 1.00 0.00 C ATOM 323 C THR A 21 1.553 -0.468 -7.186 1.00 0.00 C ATOM 324 O THR A 21 2.702 -0.867 -6.990 1.00 0.00 O ATOM 325 CB THR A 21 0.055 -2.229 -8.141 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.069 -3.060 -7.911 1.00 0.00 O ATOM 327 CG2 THR A 21 1.209 -3.120 -8.546 1.00 0.00 C ATOM 0 H THR A 21 -1.593 -0.655 -7.198 1.00 0.00 H new ATOM 0 HA THR A 21 0.599 -2.024 -6.072 1.00 0.00 H new ATOM 0 HB THR A 21 -0.136 -1.520 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.889 -2.528 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.929 -3.701 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.079 -2.506 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.452 -3.796 -7.726 1.00 0.00 H new ATOM 335 N ALA A 22 1.279 0.751 -7.642 1.00 0.00 N ATOM 336 CA ALA A 22 2.335 1.710 -7.944 1.00 0.00 C ATOM 337 C ALA A 22 3.209 1.967 -6.721 1.00 0.00 C ATOM 338 O ALA A 22 4.435 1.975 -6.815 1.00 0.00 O ATOM 339 CB ALA A 22 1.734 3.014 -8.448 1.00 0.00 C ATOM 0 H ALA A 22 0.334 1.097 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 22 2.965 1.286 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.533 3.721 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.157 2.823 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.081 3.433 -7.683 1.00 0.00 H new ATOM 345 N LYS A 23 2.569 2.171 -5.575 1.00 0.00 N ATOM 346 CA LYS A 23 3.290 2.423 -4.333 1.00 0.00 C ATOM 347 C LYS A 23 4.007 1.161 -3.863 1.00 0.00 C ATOM 348 O LYS A 23 5.172 1.206 -3.467 1.00 0.00 O ATOM 349 CB LYS A 23 2.329 2.916 -3.249 1.00 0.00 C ATOM 350 CG LYS A 23 1.566 4.171 -3.639 1.00 0.00 C ATOM 351 CD LYS A 23 1.924 5.345 -2.742 1.00 0.00 C ATOM 352 CE LYS A 23 1.267 6.632 -3.217 1.00 0.00 C ATOM 353 NZ LYS A 23 2.129 7.820 -2.971 1.00 0.00 N ATOM 0 H LYS A 23 1.553 2.167 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 23 4.035 3.197 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.616 2.124 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.893 3.112 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.787 4.424 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.495 3.980 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.611 5.132 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.006 5.473 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.049 6.556 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.314 6.763 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.645 8.676 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.317 7.908 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.029 7.707 -3.480 1.00 0.00 H new ATOM 367 N PHE A 24 3.303 0.034 -3.916 1.00 0.00 N ATOM 368 CA PHE A 24 3.873 -1.244 -3.501 1.00 0.00 C ATOM 369 C PHE A 24 5.211 -1.487 -4.192 1.00 0.00 C ATOM 370 O PHE A 24 6.199 -1.841 -3.548 1.00 0.00 O ATOM 371 CB PHE A 24 2.902 -2.386 -3.814 1.00 0.00 C ATOM 372 CG PHE A 24 2.182 -2.909 -2.604 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.044 -2.277 -2.131 1.00 0.00 C ATOM 374 CD2 PHE A 24 2.643 -4.035 -1.940 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.379 -2.756 -1.016 1.00 0.00 C ATOM 376 CE2 PHE A 24 1.984 -4.520 -0.827 1.00 0.00 C ATOM 377 CZ PHE A 24 0.850 -3.879 -0.364 1.00 0.00 C ATOM 0 H PHE A 24 2.338 -0.020 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 24 4.042 -1.210 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.168 -2.039 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.453 -3.203 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.671 -1.400 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.529 -4.540 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.506 -2.253 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.354 -5.398 -0.319 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.333 -4.256 0.506 1.00 0.00 H new ATOM 387 N ALA A 25 5.237 -1.288 -5.508 1.00 0.00 N ATOM 388 CA ALA A 25 6.456 -1.480 -6.286 1.00 0.00 C ATOM 389 C ALA A 25 7.612 -0.681 -5.692 1.00 0.00 C ATOM 390 O ALA A 25 8.689 -1.222 -5.442 1.00 0.00 O ATOM 391 CB ALA A 25 6.227 -1.079 -7.735 1.00 0.00 C ATOM 0 H ALA A 25 4.428 -0.994 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 25 6.719 -2.537 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.145 -1.228 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.433 -1.692 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.938 -0.029 -7.781 1.00 0.00 H new ATOM 397 N LYS A 26 7.378 0.608 -5.460 1.00 0.00 N ATOM 398 CA LYS A 26 8.398 1.482 -4.891 1.00 0.00 C ATOM 399 C LYS A 26 8.936 0.904 -3.585 1.00 0.00 C ATOM 400 O LYS A 26 10.095 1.124 -3.229 1.00 0.00 O ATOM 401 CB LYS A 26 7.823 2.879 -4.646 1.00 0.00 C ATOM 402 CG LYS A 26 8.172 3.879 -5.737 1.00 0.00 C ATOM 403 CD LYS A 26 8.933 5.072 -5.180 1.00 0.00 C ATOM 404 CE LYS A 26 10.373 4.713 -4.854 1.00 0.00 C ATOM 405 NZ LYS A 26 11.290 5.873 -5.029 1.00 0.00 N ATOM 0 H LYS A 26 6.490 1.070 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 26 9.220 1.556 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.739 2.807 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.192 3.252 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.773 3.388 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.258 4.223 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.915 5.886 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.435 5.435 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.434 4.355 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.697 3.894 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.262 5.585 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.252 6.200 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.997 6.645 -4.397 1.00 0.00 H new ATOM 419 N LEU A 27 8.091 0.157 -2.882 1.00 0.00 N ATOM 420 CA LEU A 27 8.486 -0.460 -1.622 1.00 0.00 C ATOM 421 C LEU A 27 9.272 -1.742 -1.876 1.00 0.00 C ATOM 422 O LEU A 27 10.170 -2.095 -1.112 1.00 0.00 O ATOM 423 CB LEU A 27 7.255 -0.766 -0.768 1.00 0.00 C ATOM 424 CG LEU A 27 6.720 0.413 0.046 1.00 0.00 C ATOM 425 CD1 LEU A 27 5.715 1.211 -0.770 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.090 -0.076 1.341 1.00 0.00 C ATOM 0 H LEU A 27 7.130 -0.035 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 27 9.124 0.242 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.460 -1.127 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.500 -1.578 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 27 7.555 1.067 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.345 2.046 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.198 1.592 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.881 0.567 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.715 0.776 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.265 -0.751 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.838 -0.604 1.933 1.00 0.00 H new ATOM 438 N GLU A 28 8.928 -2.428 -2.960 1.00 0.00 N ATOM 439 CA GLU A 28 9.593 -3.671 -3.333 1.00 0.00 C ATOM 440 C GLU A 28 11.081 -3.452 -3.604 1.00 0.00 C ATOM 441 O GLU A 28 11.855 -4.409 -3.663 1.00 0.00 O ATOM 442 CB GLU A 28 8.925 -4.279 -4.566 1.00 0.00 C ATOM 443 CG GLU A 28 7.599 -4.958 -4.269 1.00 0.00 C ATOM 444 CD GLU A 28 7.251 -6.030 -5.284 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.798 -7.149 -5.178 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.432 -5.751 -6.185 1.00 0.00 O ATOM 0 H GLU A 28 8.187 -2.142 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 28 9.500 -4.360 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.764 -3.494 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.603 -5.005 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.638 -5.403 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.807 -4.209 -4.252 1.00 0.00 H new ATOM 453 N GLN A 29 11.483 -2.194 -3.770 1.00 0.00 N ATOM 454 CA GLN A 29 12.880 -1.868 -4.032 1.00 0.00 C ATOM 455 C GLN A 29 13.740 -2.106 -2.794 1.00 0.00 C ATOM 456 O GLN A 29 14.699 -2.877 -2.834 1.00 0.00 O ATOM 457 CB GLN A 29 13.008 -0.413 -4.485 1.00 0.00 C ATOM 458 CG GLN A 29 14.435 -0.002 -4.813 1.00 0.00 C ATOM 459 CD GLN A 29 14.967 1.063 -3.875 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.854 2.259 -4.146 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.553 0.633 -2.763 1.00 0.00 N ATOM 0 H GLN A 29 10.862 -1.386 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 29 13.236 -2.523 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.383 -0.258 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.622 0.238 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.081 -0.878 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.476 0.368 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.625 -0.368 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.931 1.303 -2.094 1.00 0.00 H new ATOM 470 N TYR A 30 13.395 -1.438 -1.698 1.00 0.00 N ATOM 471 CA TYR A 30 14.145 -1.579 -0.453 1.00 0.00 C ATOM 472 C TYR A 30 13.624 -2.745 0.386 1.00 0.00 C ATOM 473 O TYR A 30 14.357 -3.303 1.204 1.00 0.00 O ATOM 474 CB TYR A 30 14.114 -0.281 0.365 1.00 0.00 C ATOM 475 CG TYR A 30 12.820 0.495 0.260 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.696 0.109 0.977 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.724 1.617 -0.552 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.513 0.817 0.888 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.547 2.332 -0.647 1.00 0.00 C ATOM 480 CZ TYR A 30 10.443 1.929 0.074 1.00 0.00 C ATOM 481 OH TYR A 30 9.268 2.637 -0.018 1.00 0.00 O ATOM 0 H TYR A 30 12.604 -0.796 -1.645 1.00 0.00 H new ATOM 0 HA TYR A 30 15.179 -1.791 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.295 -0.522 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.934 0.359 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.747 -0.760 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.586 1.936 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.648 0.502 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.491 3.203 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 30 9.388 3.391 -0.632 1.00 0.00 H new ATOM 491 N PHE A 31 12.365 -3.122 0.178 1.00 0.00 N ATOM 492 CA PHE A 31 11.775 -4.235 0.920 1.00 0.00 C ATOM 493 C PHE A 31 11.889 -5.530 0.124 1.00 0.00 C ATOM 494 O PHE A 31 11.353 -5.642 -0.978 1.00 0.00 O ATOM 495 CB PHE A 31 10.303 -3.957 1.249 1.00 0.00 C ATOM 496 CG PHE A 31 10.088 -2.842 2.238 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.065 -2.508 3.167 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.901 -2.129 2.241 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.860 -1.486 4.072 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.690 -1.105 3.144 1.00 0.00 C ATOM 501 CZ PHE A 31 9.671 -0.782 4.062 1.00 0.00 C ATOM 0 H PHE A 31 11.737 -2.678 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 31 12.327 -4.342 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.776 -3.715 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.853 -4.868 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.996 -3.055 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.129 -2.377 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.629 -1.237 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.759 -0.557 3.132 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.509 0.018 4.769 1.00 0.00 H new ATOM 511 N ASP A 32 12.592 -6.506 0.689 1.00 0.00 N ATOM 512 CA ASP A 32 12.778 -7.794 0.031 1.00 0.00 C ATOM 513 C ASP A 32 11.935 -8.876 0.700 1.00 0.00 C ATOM 514 O ASP A 32 11.511 -9.834 0.053 1.00 0.00 O ATOM 515 CB ASP A 32 14.254 -8.192 0.054 1.00 0.00 C ATOM 516 CG ASP A 32 14.697 -8.846 -1.240 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.737 -8.148 -2.274 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.003 -10.056 -1.218 1.00 0.00 O ATOM 0 H ASP A 32 13.042 -6.429 1.601 1.00 0.00 H new ATOM 0 HA ASP A 32 12.451 -7.696 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.863 -7.307 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.430 -8.878 0.883 1.00 0.00 H new ATOM 523 N ARG A 33 11.696 -8.717 1.998 1.00 0.00 N ATOM 524 CA ARG A 33 10.904 -9.683 2.751 1.00 0.00 C ATOM 525 C ARG A 33 9.419 -9.528 2.439 1.00 0.00 C ATOM 526 O ARG A 33 8.644 -9.065 3.275 1.00 0.00 O ATOM 527 CB ARG A 33 11.142 -9.510 4.253 1.00 0.00 C ATOM 528 CG ARG A 33 12.610 -9.396 4.630 1.00 0.00 C ATOM 529 CD ARG A 33 13.325 -10.731 4.495 1.00 0.00 C ATOM 530 NE ARG A 33 13.645 -11.043 3.105 1.00 0.00 N ATOM 531 CZ ARG A 33 14.368 -12.094 2.728 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.847 -12.939 3.634 1.00 0.00 N ATOM 533 NH2 ARG A 33 14.613 -12.304 1.442 1.00 0.00 N ATOM 0 H ARG A 33 12.039 -7.930 2.549 1.00 0.00 H new ATOM 0 HA ARG A 33 11.218 -10.684 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.618 -8.617 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.705 -10.358 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.094 -8.657 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.697 -9.038 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.243 -10.711 5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.698 -11.521 4.909 1.00 0.00 H new ATOM 0 HE ARG A 33 13.293 -10.418 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.661 -12.784 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.401 -13.743 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.247 -11.659 0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.167 -13.110 1.153 1.00 0.00 H new ATOM 547 N ILE A 34 9.031 -9.920 1.231 1.00 0.00 N ATOM 548 CA ILE A 34 7.637 -9.825 0.812 1.00 0.00 C ATOM 549 C ILE A 34 7.219 -11.053 0.012 1.00 0.00 C ATOM 550 O ILE A 34 7.843 -11.394 -0.992 1.00 0.00 O ATOM 551 CB ILE A 34 7.392 -8.565 -0.041 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.996 -7.336 0.640 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.902 -8.369 -0.279 1.00 0.00 C ATOM 554 CD1 ILE A 34 8.048 -6.114 -0.254 1.00 0.00 C ATOM 0 H ILE A 34 9.659 -10.305 0.526 1.00 0.00 H new ATOM 0 HA ILE A 34 7.037 -9.764 1.720 1.00 0.00 H new ATOM 0 HB ILE A 34 7.880 -8.697 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.413 -7.100 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.006 -7.575 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.744 -7.475 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.500 -9.236 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.393 -8.255 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.488 -5.281 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.656 -6.331 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.038 -5.849 -0.568 1.00 0.00 H new ATOM 566 N ASN A 35 6.159 -11.715 0.466 1.00 0.00 N ATOM 567 CA ASN A 35 5.655 -12.908 -0.208 1.00 0.00 C ATOM 568 C ASN A 35 4.215 -12.706 -0.671 1.00 0.00 C ATOM 569 O ASN A 35 3.928 -12.741 -1.868 1.00 0.00 O ATOM 570 CB ASN A 35 5.744 -14.127 0.716 1.00 0.00 C ATOM 571 CG ASN A 35 5.446 -13.791 2.164 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.337 -14.015 2.651 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.436 -13.247 2.862 1.00 0.00 N ATOM 0 H ASN A 35 5.632 -11.446 1.297 1.00 0.00 H new ATOM 0 HA ASN A 35 6.277 -13.085 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.044 -14.889 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.743 -14.558 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.293 -12.998 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.339 -13.078 2.419 1.00 0.00 H new ATOM 580 N GLN A 36 3.314 -12.493 0.282 1.00 0.00 N ATOM 581 CA GLN A 36 1.905 -12.287 -0.031 1.00 0.00 C ATOM 582 C GLN A 36 1.369 -11.042 0.668 1.00 0.00 C ATOM 583 O GLN A 36 1.399 -10.945 1.895 1.00 0.00 O ATOM 584 CB GLN A 36 1.082 -13.509 0.383 1.00 0.00 C ATOM 585 CG GLN A 36 -0.361 -13.458 -0.092 1.00 0.00 C ATOM 586 CD GLN A 36 -0.753 -14.677 -0.905 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.818 -15.259 -0.700 1.00 0.00 O ATOM 588 NE2 GLN A 36 0.110 -15.068 -1.835 1.00 0.00 N ATOM 0 H GLN A 36 3.534 -12.459 1.277 1.00 0.00 H new ATOM 0 HA GLN A 36 1.817 -12.146 -1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.555 -14.407 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.096 -13.595 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.021 -13.375 0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.510 -12.562 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.981 -14.555 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.098 -15.881 -2.414 1.00 0.00 H new ATOM 597 N VAL A 37 0.876 -10.096 -0.122 1.00 0.00 N ATOM 598 CA VAL A 37 0.326 -8.859 0.418 1.00 0.00 C ATOM 599 C VAL A 37 -1.082 -8.614 -0.113 1.00 0.00 C ATOM 600 O VAL A 37 -1.349 -8.801 -1.299 1.00 0.00 O ATOM 601 CB VAL A 37 1.212 -7.640 0.079 1.00 0.00 C ATOM 602 CG1 VAL A 37 2.261 -7.423 1.160 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.869 -7.802 -1.285 1.00 0.00 C ATOM 0 H VAL A 37 0.846 -10.162 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 37 0.294 -8.976 1.501 1.00 0.00 H new ATOM 0 HB VAL A 37 0.572 -6.759 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.875 -6.560 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.767 -7.246 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.893 -8.308 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.487 -6.929 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.492 -8.696 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.099 -7.897 -2.051 1.00 0.00 H new ATOM 613 N TYR A 38 -1.980 -8.199 0.773 1.00 0.00 N ATOM 614 CA TYR A 38 -3.362 -7.933 0.389 1.00 0.00 C ATOM 615 C TYR A 38 -3.841 -6.599 0.951 1.00 0.00 C ATOM 616 O TYR A 38 -3.438 -6.189 2.039 1.00 0.00 O ATOM 617 CB TYR A 38 -4.283 -9.068 0.854 1.00 0.00 C ATOM 618 CG TYR A 38 -3.879 -9.700 2.170 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.714 -10.452 2.275 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.666 -9.548 3.305 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.346 -11.034 3.473 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.303 -10.125 4.507 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.144 -10.867 4.586 1.00 0.00 C ATOM 624 OH TYR A 38 -2.780 -11.443 5.782 1.00 0.00 O ATOM 0 H TYR A 38 -1.777 -8.040 1.760 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.400 -7.878 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.298 -8.682 0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.305 -9.840 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.086 -10.583 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.576 -8.970 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.439 -11.616 3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.925 -9.995 5.381 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.927 -11.914 5.672 1.00 0.00 H new ATOM 634 N VAL A 39 -4.701 -5.924 0.194 1.00 0.00 N ATOM 635 CA VAL A 39 -5.234 -4.630 0.605 1.00 0.00 C ATOM 636 C VAL A 39 -6.723 -4.520 0.288 1.00 0.00 C ATOM 637 O VAL A 39 -7.198 -5.065 -0.707 1.00 0.00 O ATOM 638 CB VAL A 39 -4.488 -3.473 -0.087 1.00 0.00 C ATOM 639 CG1 VAL A 39 -4.869 -2.138 0.536 1.00 0.00 C ATOM 640 CG2 VAL A 39 -2.983 -3.691 -0.018 1.00 0.00 C ATOM 0 H VAL A 39 -5.044 -6.253 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.089 -4.556 1.683 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.783 -3.453 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.331 -1.335 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.942 -1.979 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.607 -2.142 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.473 -2.864 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.670 -3.740 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.727 -4.625 -0.518 1.00 0.00 H new ATOM 650 N VAL A 40 -7.454 -3.807 1.140 1.00 0.00 N ATOM 651 CA VAL A 40 -8.888 -3.621 0.951 1.00 0.00 C ATOM 652 C VAL A 40 -9.314 -2.222 1.363 1.00 0.00 C ATOM 653 O VAL A 40 -8.879 -1.700 2.390 1.00 0.00 O ATOM 654 CB VAL A 40 -9.703 -4.655 1.749 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.175 -4.583 1.372 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.157 -6.056 1.522 1.00 0.00 C ATOM 0 H VAL A 40 -7.076 -3.348 1.969 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.089 -3.762 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.611 -4.421 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.734 -5.321 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.558 -3.586 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.289 -4.790 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.746 -6.773 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.216 -6.302 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.118 -6.099 1.847 1.00 0.00 H new ATOM 666 N LEU A 41 -10.156 -1.613 0.541 1.00 0.00 N ATOM 667 CA LEU A 41 -10.634 -0.265 0.796 1.00 0.00 C ATOM 668 C LEU A 41 -12.151 -0.163 0.649 1.00 0.00 C ATOM 669 O LEU A 41 -12.722 -0.595 -0.353 1.00 0.00 O ATOM 670 CB LEU A 41 -9.936 0.722 -0.147 1.00 0.00 C ATOM 671 CG LEU A 41 -9.592 0.180 -1.543 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.554 -0.929 -1.460 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.844 -0.305 -2.259 1.00 0.00 C ATOM 0 H LEU A 41 -10.523 -2.035 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.391 -0.012 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.575 1.597 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.015 1.061 0.328 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.163 0.998 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.330 -1.293 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.643 -0.542 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.944 -1.748 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.575 -0.684 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.310 -1.101 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.545 0.523 -2.367 1.00 0.00 H new ATOM 685 N LYS A 42 -12.799 0.416 1.656 1.00 0.00 N ATOM 686 CA LYS A 42 -14.247 0.587 1.640 1.00 0.00 C ATOM 687 C LYS A 42 -14.607 2.028 1.286 1.00 0.00 C ATOM 688 O LYS A 42 -13.998 2.973 1.789 1.00 0.00 O ATOM 689 CB LYS A 42 -14.845 0.201 3.001 1.00 0.00 C ATOM 690 CG LYS A 42 -16.254 0.729 3.232 1.00 0.00 C ATOM 691 CD LYS A 42 -16.872 0.144 4.491 1.00 0.00 C ATOM 692 CE LYS A 42 -16.176 0.656 5.743 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.364 -0.265 6.898 1.00 0.00 N ATOM 0 H LYS A 42 -12.342 0.775 2.494 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.668 -0.071 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.857 -0.886 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.194 0.575 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.227 1.816 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.879 0.487 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.931 0.401 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.809 -0.944 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.111 0.775 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.565 1.642 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.875 0.119 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.379 -0.359 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.970 -1.199 6.665 1.00 0.00 H new ATOM 707 N VAL A 43 -15.597 2.188 0.412 1.00 0.00 N ATOM 708 CA VAL A 43 -16.032 3.512 -0.014 1.00 0.00 C ATOM 709 C VAL A 43 -17.470 3.794 0.411 1.00 0.00 C ATOM 710 O VAL A 43 -18.406 3.146 -0.058 1.00 0.00 O ATOM 711 CB VAL A 43 -15.924 3.673 -1.544 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.256 5.098 -1.960 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.535 3.280 -2.022 1.00 0.00 C ATOM 0 H VAL A 43 -16.112 1.417 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.369 4.227 0.473 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.649 3.007 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.174 5.189 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.273 5.339 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.559 5.788 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.475 3.399 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.792 3.919 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.341 2.240 -1.760 1.00 0.00 H new ATOM 723 N GLU A 44 -17.635 4.771 1.295 1.00 0.00 N ATOM 724 CA GLU A 44 -18.955 5.150 1.779 1.00 0.00 C ATOM 725 C GLU A 44 -19.102 6.669 1.802 1.00 0.00 C ATOM 726 O GLU A 44 -18.118 7.396 1.931 1.00 0.00 O ATOM 727 CB GLU A 44 -19.206 4.573 3.174 1.00 0.00 C ATOM 728 CG GLU A 44 -18.027 4.730 4.117 1.00 0.00 C ATOM 729 CD GLU A 44 -18.313 4.184 5.503 1.00 0.00 C ATOM 730 OE1 GLU A 44 -18.863 3.066 5.599 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.986 4.873 6.492 1.00 0.00 O ATOM 0 H GLU A 44 -16.869 5.315 1.691 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.698 4.738 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.077 5.063 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.449 3.514 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.161 4.216 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.765 5.785 4.193 1.00 0.00 H new ATOM 738 N LYS A 45 -20.336 7.138 1.661 1.00 0.00 N ATOM 739 CA LYS A 45 -20.620 8.570 1.653 1.00 0.00 C ATOM 740 C LYS A 45 -20.072 9.268 2.897 1.00 0.00 C ATOM 741 O LYS A 45 -19.891 10.486 2.901 1.00 0.00 O ATOM 742 CB LYS A 45 -22.126 8.808 1.549 1.00 0.00 C ATOM 743 CG LYS A 45 -22.489 10.216 1.100 1.00 0.00 C ATOM 744 CD LYS A 45 -23.159 11.004 2.215 1.00 0.00 C ATOM 745 CE LYS A 45 -23.336 12.465 1.835 1.00 0.00 C ATOM 746 NZ LYS A 45 -24.322 12.636 0.732 1.00 0.00 N ATOM 0 H LYS A 45 -21.159 6.546 1.550 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.120 8.996 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.551 8.091 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.584 8.615 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.589 10.738 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.156 10.164 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.131 10.565 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.560 10.933 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.665 13.030 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.375 12.880 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.414 13.646 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.996 12.118 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.246 12.263 1.031 1.00 0.00 H new ATOM 760 N VAL A 46 -19.815 8.501 3.954 1.00 0.00 N ATOM 761 CA VAL A 46 -19.299 9.071 5.193 1.00 0.00 C ATOM 762 C VAL A 46 -17.776 9.214 5.162 1.00 0.00 C ATOM 763 O VAL A 46 -17.255 10.283 4.844 1.00 0.00 O ATOM 764 CB VAL A 46 -19.719 8.227 6.415 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.210 8.852 7.707 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.231 8.063 6.452 1.00 0.00 C ATOM 0 H VAL A 46 -19.955 7.491 3.977 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.734 10.066 5.285 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.268 7.239 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.519 8.239 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.122 8.911 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.625 9.854 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.511 7.465 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.702 9.044 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.565 7.562 5.543 1.00 0.00 H new ATOM 776 N THR A 47 -17.064 8.138 5.494 1.00 0.00 N ATOM 777 CA THR A 47 -15.605 8.162 5.502 1.00 0.00 C ATOM 778 C THR A 47 -15.026 6.990 4.715 1.00 0.00 C ATOM 779 O THR A 47 -15.645 5.933 4.611 1.00 0.00 O ATOM 780 CB THR A 47 -15.082 8.130 6.939 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.709 9.129 7.725 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.587 8.342 7.037 1.00 0.00 C ATOM 0 H THR A 47 -17.473 7.242 5.760 1.00 0.00 H new ATOM 0 HA THR A 47 -15.285 9.087 5.022 1.00 0.00 H new ATOM 0 HB THR A 47 -15.317 7.132 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.362 9.091 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.282 8.308 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.071 7.558 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.329 9.314 6.616 1.00 0.00 H new ATOM 790 N HIS A 48 -13.827 7.181 4.177 1.00 0.00 N ATOM 791 CA HIS A 48 -13.158 6.134 3.412 1.00 0.00 C ATOM 792 C HIS A 48 -12.191 5.363 4.304 1.00 0.00 C ATOM 793 O HIS A 48 -11.428 5.959 5.065 1.00 0.00 O ATOM 794 CB HIS A 48 -12.412 6.738 2.222 1.00 0.00 C ATOM 795 CG HIS A 48 -13.284 7.559 1.324 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.229 7.485 -0.053 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.241 8.474 1.611 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.112 8.321 -0.572 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.738 8.931 0.416 1.00 0.00 N ATOM 0 H HIS A 48 -13.298 8.050 4.256 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.913 5.444 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.597 7.360 2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.960 5.934 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.554 8.786 2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.290 8.478 -1.626 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.473 9.630 0.309 1.00 0.00 H new ATOM 808 N THR A 49 -12.231 4.037 4.216 1.00 0.00 N ATOM 809 CA THR A 49 -11.361 3.197 5.031 1.00 0.00 C ATOM 810 C THR A 49 -10.535 2.246 4.172 1.00 0.00 C ATOM 811 O THR A 49 -11.041 1.643 3.228 1.00 0.00 O ATOM 812 CB THR A 49 -12.190 2.398 6.039 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.983 3.262 6.832 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.348 1.558 6.975 1.00 0.00 C ATOM 0 H THR A 49 -12.853 3.523 3.592 1.00 0.00 H new ATOM 0 HA THR A 49 -10.674 3.853 5.565 1.00 0.00 H new ATOM 0 HB THR A 49 -12.810 1.732 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.507 2.733 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.998 1.018 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.761 0.846 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.678 2.205 7.541 1.00 0.00 H new ATOM 822 N SER A 50 -9.259 2.111 4.518 1.00 0.00 N ATOM 823 CA SER A 50 -8.353 1.226 3.792 1.00 0.00 C ATOM 824 C SER A 50 -7.537 0.387 4.769 1.00 0.00 C ATOM 825 O SER A 50 -7.124 0.874 5.821 1.00 0.00 O ATOM 826 CB SER A 50 -7.421 2.039 2.893 1.00 0.00 C ATOM 827 OG SER A 50 -6.565 2.867 3.659 1.00 0.00 O ATOM 0 H SER A 50 -8.827 2.605 5.299 1.00 0.00 H new ATOM 0 HA SER A 50 -8.948 0.559 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.825 1.365 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.011 2.652 2.212 1.00 0.00 H new ATOM 0 HG SER A 50 -6.955 3.008 4.547 1.00 0.00 H new ATOM 833 N ASP A 51 -7.309 -0.876 4.423 1.00 0.00 N ATOM 834 CA ASP A 51 -6.546 -1.773 5.284 1.00 0.00 C ATOM 835 C ASP A 51 -5.393 -2.418 4.522 1.00 0.00 C ATOM 836 O ASP A 51 -5.476 -2.635 3.313 1.00 0.00 O ATOM 837 CB ASP A 51 -7.459 -2.855 5.865 1.00 0.00 C ATOM 838 CG ASP A 51 -8.131 -3.690 4.793 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.460 -4.036 3.799 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.332 -3.999 4.951 1.00 0.00 O ATOM 0 H ASP A 51 -7.640 -1.300 3.556 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.129 -1.182 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.875 -3.507 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.222 -2.386 6.486 1.00 0.00 H new ATOM 845 N ALA A 52 -4.318 -2.725 5.243 1.00 0.00 N ATOM 846 CA ALA A 52 -3.145 -3.347 4.645 1.00 0.00 C ATOM 847 C ALA A 52 -2.612 -4.468 5.530 1.00 0.00 C ATOM 848 O ALA A 52 -2.627 -4.364 6.757 1.00 0.00 O ATOM 849 CB ALA A 52 -2.063 -2.307 4.396 1.00 0.00 C ATOM 0 H ALA A 52 -4.237 -2.552 6.245 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.440 -3.781 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.193 -2.787 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.443 -1.542 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.777 -1.846 5.341 1.00 0.00 H new ATOM 855 N THR A 53 -2.140 -5.537 4.900 1.00 0.00 N ATOM 856 CA THR A 53 -1.600 -6.677 5.631 1.00 0.00 C ATOM 857 C THR A 53 -0.363 -7.235 4.933 1.00 0.00 C ATOM 858 O THR A 53 -0.468 -7.897 3.901 1.00 0.00 O ATOM 859 CB THR A 53 -2.658 -7.772 5.765 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.961 -7.230 5.633 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.598 -8.505 7.088 1.00 0.00 C ATOM 0 H THR A 53 -2.120 -5.638 3.885 1.00 0.00 H new ATOM 0 HA THR A 53 -1.312 -6.335 6.625 1.00 0.00 H new ATOM 0 HB THR A 53 -2.442 -8.481 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.529 -7.859 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.376 -9.268 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.622 -8.977 7.198 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.753 -7.798 7.903 1.00 0.00 H new ATOM 869 N LEU A 54 0.808 -6.959 5.498 1.00 0.00 N ATOM 870 CA LEU A 54 2.062 -7.432 4.922 1.00 0.00 C ATOM 871 C LEU A 54 2.576 -8.666 5.658 1.00 0.00 C ATOM 872 O LEU A 54 2.411 -8.791 6.872 1.00 0.00 O ATOM 873 CB LEU A 54 3.115 -6.323 4.968 1.00 0.00 C ATOM 874 CG LEU A 54 3.078 -5.343 3.791 1.00 0.00 C ATOM 875 CD1 LEU A 54 3.187 -3.908 4.284 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.191 -5.654 2.803 1.00 0.00 C ATOM 0 H LEU A 54 0.915 -6.412 6.352 1.00 0.00 H new ATOM 0 HA LEU A 54 1.873 -7.707 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.988 -5.761 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.103 -6.782 5.007 1.00 0.00 H new ATOM 0 HG LEU A 54 2.122 -5.457 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.159 -3.228 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.354 -3.688 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.127 -3.778 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.149 -4.948 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.156 -5.569 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.067 -6.668 2.423 1.00 0.00 H new ATOM 888 N HIS A 55 3.205 -9.571 4.915 1.00 0.00 N ATOM 889 CA HIS A 55 3.751 -10.792 5.493 1.00 0.00 C ATOM 890 C HIS A 55 5.276 -10.748 5.503 1.00 0.00 C ATOM 891 O HIS A 55 5.900 -10.381 4.507 1.00 0.00 O ATOM 892 CB HIS A 55 3.270 -12.015 4.707 1.00 0.00 C ATOM 893 CG HIS A 55 1.883 -12.447 5.065 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.611 -13.613 5.750 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.684 -11.864 4.830 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.306 -13.729 5.919 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.279 -12.680 5.372 1.00 0.00 N ATOM 0 H HIS A 55 3.349 -9.481 3.909 1.00 0.00 H new ATOM 0 HA HIS A 55 3.397 -10.870 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.308 -11.790 3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.957 -12.843 4.883 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.309 -14.282 6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.516 -10.931 4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.197 -14.543 6.419 1.00 0.00 H new ATOM 906 N VAL A 56 5.872 -11.130 6.628 1.00 0.00 N ATOM 907 CA VAL A 56 7.325 -11.137 6.754 1.00 0.00 C ATOM 908 C VAL A 56 7.806 -12.340 7.556 1.00 0.00 C ATOM 909 O VAL A 56 7.485 -12.478 8.735 1.00 0.00 O ATOM 910 CB VAL A 56 7.835 -9.849 7.429 1.00 0.00 C ATOM 911 CG1 VAL A 56 9.352 -9.771 7.352 1.00 0.00 C ATOM 912 CG2 VAL A 56 7.197 -8.623 6.793 1.00 0.00 C ATOM 0 H VAL A 56 5.373 -11.438 7.463 1.00 0.00 H new ATOM 0 HA VAL A 56 7.728 -11.196 5.743 1.00 0.00 H new ATOM 0 HB VAL A 56 7.548 -9.874 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.694 -8.855 7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.787 -10.632 7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.664 -9.770 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.570 -7.723 7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.449 -8.590 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.114 -8.676 6.907 1.00 0.00 H new ATOM 922 N ASN A 57 8.587 -13.204 6.909 1.00 0.00 N ATOM 923 CA ASN A 57 9.130 -14.402 7.553 1.00 0.00 C ATOM 924 C ASN A 57 8.092 -15.086 8.452 1.00 0.00 C ATOM 925 O ASN A 57 7.298 -15.901 7.982 1.00 0.00 O ATOM 926 CB ASN A 57 10.385 -14.046 8.357 1.00 0.00 C ATOM 927 CG ASN A 57 11.569 -13.725 7.466 1.00 0.00 C ATOM 928 OD1 ASN A 57 12.199 -14.622 6.904 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.880 -12.441 7.333 1.00 0.00 N ATOM 0 H ASN A 57 8.860 -13.096 5.932 1.00 0.00 H new ATOM 0 HA ASN A 57 9.397 -15.109 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.173 -13.190 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.642 -14.878 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.668 -12.165 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.331 -11.730 7.817 1.00 0.00 H new ATOM 936 N GLY A 58 8.103 -14.755 9.745 1.00 0.00 N ATOM 937 CA GLY A 58 7.159 -15.354 10.674 1.00 0.00 C ATOM 938 C GLY A 58 6.313 -14.321 11.392 1.00 0.00 C ATOM 939 O GLY A 58 5.885 -14.538 12.526 1.00 0.00 O ATOM 0 H GLY A 58 8.748 -14.084 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.507 -16.039 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.704 -15.946 11.409 1.00 0.00 H new ATOM 943 N GLY A 59 6.069 -13.198 10.729 1.00 0.00 N ATOM 944 CA GLY A 59 5.270 -12.141 11.318 1.00 0.00 C ATOM 945 C GLY A 59 4.360 -11.478 10.303 1.00 0.00 C ATOM 946 O GLY A 59 4.625 -11.525 9.102 1.00 0.00 O ATOM 0 H GLY A 59 6.412 -13.000 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.669 -12.551 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.929 -11.392 11.757 1.00 0.00 H new ATOM 950 N GLU A 60 3.286 -10.861 10.782 1.00 0.00 N ATOM 951 CA GLU A 60 2.339 -10.192 9.899 1.00 0.00 C ATOM 952 C GLU A 60 1.850 -8.881 10.507 1.00 0.00 C ATOM 953 O GLU A 60 1.368 -8.852 11.640 1.00 0.00 O ATOM 954 CB GLU A 60 1.148 -11.105 9.608 1.00 0.00 C ATOM 955 CG GLU A 60 1.522 -12.366 8.845 1.00 0.00 C ATOM 956 CD GLU A 60 1.183 -13.633 9.607 1.00 0.00 C ATOM 957 OE1 GLU A 60 1.504 -13.706 10.812 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.597 -14.553 8.998 1.00 0.00 O ATOM 0 H GLU A 60 3.050 -10.810 11.773 1.00 0.00 H new ATOM 0 HA GLU A 60 2.855 -9.966 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.677 -11.386 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.406 -10.549 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.003 -12.373 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.590 -12.352 8.629 1.00 0.00 H new ATOM 965 N ILE A 61 1.973 -7.799 9.745 1.00 0.00 N ATOM 966 CA ILE A 61 1.537 -6.486 10.205 1.00 0.00 C ATOM 967 C ILE A 61 0.197 -6.121 9.578 1.00 0.00 C ATOM 968 O ILE A 61 -0.037 -6.387 8.397 1.00 0.00 O ATOM 969 CB ILE A 61 2.567 -5.390 9.860 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.992 -5.900 10.092 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.305 -4.140 10.687 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.691 -6.338 8.823 1.00 0.00 C ATOM 0 H ILE A 61 2.371 -7.806 8.806 1.00 0.00 H new ATOM 0 HA ILE A 61 1.438 -6.542 11.289 1.00 0.00 H new ATOM 0 HB ILE A 61 2.463 -5.135 8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.578 -5.113 10.567 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.961 -6.738 10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.039 -3.375 10.433 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.303 -3.766 10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.385 -4.382 11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.695 -6.687 9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.127 -7.147 8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.754 -5.496 8.133 1.00 0.00 H new ATOM 984 N HIS A 62 -0.680 -5.506 10.366 1.00 0.00 N ATOM 985 CA HIS A 62 -1.994 -5.104 9.880 1.00 0.00 C ATOM 986 C HIS A 62 -2.315 -3.672 10.295 1.00 0.00 C ATOM 987 O HIS A 62 -2.479 -3.384 11.481 1.00 0.00 O ATOM 988 CB HIS A 62 -3.069 -6.056 10.406 1.00 0.00 C ATOM 989 CG HIS A 62 -4.206 -6.261 9.454 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.976 -7.404 9.436 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.703 -5.459 8.481 1.00 0.00 C ATOM 992 CE1 HIS A 62 -5.895 -7.298 8.494 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.752 -6.127 7.900 1.00 0.00 N ATOM 0 H HIS A 62 -0.504 -5.276 11.344 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.980 -5.151 8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.612 -7.021 10.626 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.459 -5.666 11.346 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.341 -4.477 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.638 -8.043 8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.327 -5.776 7.134 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.409 -2.781 9.317 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.716 -1.381 9.586 1.00 0.00 C ATOM 1004 C ALA A 63 -3.790 -0.868 8.635 1.00 0.00 C ATOM 1005 O ALA A 63 -4.058 -1.478 7.600 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.456 -0.534 9.479 1.00 0.00 C ATOM 0 H ALA A 63 -2.277 -3.002 8.330 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.102 -1.304 10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.700 0.509 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.721 -0.882 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.044 -0.621 8.474 1.00 0.00 H new ATOM 1012 N SER A 64 -4.403 0.258 8.988 1.00 0.00 N ATOM 1013 CA SER A 64 -5.445 0.851 8.159 1.00 0.00 C ATOM 1014 C SER A 64 -5.309 2.370 8.128 1.00 0.00 C ATOM 1015 O SER A 64 -4.810 2.977 9.075 1.00 0.00 O ATOM 1016 CB SER A 64 -6.828 0.460 8.684 1.00 0.00 C ATOM 1017 OG SER A 64 -7.044 0.976 9.987 1.00 0.00 O ATOM 0 H SER A 64 -4.196 0.777 9.841 1.00 0.00 H new ATOM 0 HA SER A 64 -5.331 0.471 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.596 0.836 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.921 -0.626 8.700 1.00 0.00 H new ATOM 0 HG SER A 64 -7.935 0.714 10.299 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.754 2.979 7.034 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.677 4.426 6.885 1.00 0.00 C ATOM 1025 C ALA A 65 -6.945 4.986 6.249 1.00 0.00 C ATOM 1026 O ALA A 65 -7.558 4.347 5.394 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.458 4.806 6.057 1.00 0.00 C ATOM 0 H ALA A 65 -6.171 2.494 6.240 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.581 4.862 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.412 5.890 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.555 4.451 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.532 4.350 5.070 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.327 6.187 6.670 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.518 6.842 6.142 1.00 0.00 C ATOM 1035 C GLU A 66 -8.139 8.090 5.352 1.00 0.00 C ATOM 1036 O GLU A 66 -7.162 8.765 5.674 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.471 7.211 7.278 1.00 0.00 C ATOM 1038 CG GLU A 66 -8.869 8.180 8.285 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.644 9.479 8.382 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.130 9.961 7.337 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.768 10.017 9.503 1.00 0.00 O ATOM 0 H GLU A 66 -6.828 6.727 7.377 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.022 6.145 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.373 7.653 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.774 6.302 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.838 7.706 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.839 8.397 8.003 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.915 8.389 4.315 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.637 9.555 3.498 1.00 0.00 C ATOM 1050 C GLY A 67 -9.887 10.153 2.883 1.00 0.00 C ATOM 1051 O GLY A 67 -10.911 9.482 2.762 1.00 0.00 O ATOM 0 H GLY A 67 -9.729 7.846 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.141 10.310 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.943 9.280 2.704 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.800 11.422 2.497 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.928 12.123 1.894 1.00 0.00 C ATOM 1057 C GLN A 68 -11.418 11.420 0.627 1.00 0.00 C ATOM 1058 O GLN A 68 -12.523 11.685 0.153 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.530 13.567 1.569 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.635 14.376 0.909 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.791 14.662 1.845 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.999 13.953 2.829 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.553 15.706 1.543 1.00 0.00 N ATOM 0 H GLN A 68 -8.956 11.988 2.592 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.746 12.121 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.228 14.066 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.660 13.555 0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.223 15.319 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.004 13.835 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.345 16.267 0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.347 15.947 2.137 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.600 10.521 0.084 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.968 9.789 -1.122 1.00 0.00 C ATOM 1074 C ASP A 69 -10.237 8.450 -1.178 1.00 0.00 C ATOM 1075 O ASP A 69 -9.414 8.146 -0.315 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.646 10.614 -2.369 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.254 11.214 -2.323 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.423 10.729 -1.528 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.995 12.171 -3.084 1.00 0.00 O ATOM 0 H ASP A 69 -9.682 10.284 0.459 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.041 9.602 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.737 9.982 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.380 11.413 -2.472 1.00 0.00 H new ATOM 1084 N MET A 70 -10.540 7.655 -2.200 1.00 0.00 N ATOM 1085 CA MET A 70 -9.906 6.351 -2.361 1.00 0.00 C ATOM 1086 C MET A 70 -8.405 6.490 -2.607 1.00 0.00 C ATOM 1087 O MET A 70 -7.658 5.519 -2.482 1.00 0.00 O ATOM 1088 CB MET A 70 -10.556 5.581 -3.513 1.00 0.00 C ATOM 1089 CG MET A 70 -10.195 4.105 -3.539 1.00 0.00 C ATOM 1090 SD MET A 70 -11.422 3.075 -2.713 1.00 0.00 S ATOM 1091 CE MET A 70 -11.394 3.768 -1.063 1.00 0.00 C ATOM 0 H MET A 70 -11.217 7.889 -2.926 1.00 0.00 H new ATOM 0 HA MET A 70 -10.048 5.795 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.639 5.680 -3.440 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.257 6.036 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.090 3.779 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.226 3.964 -3.060 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.980 3.138 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.365 3.818 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.820 4.771 -1.082 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.966 7.696 -2.955 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.553 7.948 -3.212 1.00 0.00 C ATOM 1103 C TYR A 71 -5.822 8.301 -1.920 1.00 0.00 C ATOM 1104 O TYR A 71 -4.683 7.888 -1.705 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.389 9.077 -4.229 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.919 8.736 -5.604 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.432 7.638 -6.304 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.905 9.510 -6.204 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.913 7.321 -7.560 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.391 9.199 -7.460 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.892 8.104 -8.132 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.373 7.793 -9.383 1.00 0.00 O ATOM 0 H TYR A 71 -8.568 8.512 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.116 7.037 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.904 9.964 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.332 9.332 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.665 7.022 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.298 10.369 -5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.524 6.464 -8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.158 9.811 -7.912 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.060 8.443 -9.640 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.487 9.067 -1.061 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.904 9.475 0.211 1.00 0.00 C ATOM 1124 C ALA A 72 -5.765 8.286 1.155 1.00 0.00 C ATOM 1125 O ALA A 72 -4.752 8.140 1.841 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.747 10.567 0.852 1.00 0.00 C ATOM 0 H ALA A 72 -7.431 9.418 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.907 9.870 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.300 10.862 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.791 11.430 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.756 10.193 1.027 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.788 7.437 1.185 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.780 6.258 2.044 1.00 0.00 C ATOM 1134 C ALA A 73 -5.572 5.374 1.749 1.00 0.00 C ATOM 1135 O ALA A 73 -4.955 4.823 2.662 1.00 0.00 O ATOM 1136 CB ALA A 73 -8.069 5.469 1.869 1.00 0.00 C ATOM 0 H ALA A 73 -7.633 7.544 0.624 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.710 6.592 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.049 4.592 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.919 6.097 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.163 5.152 0.830 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.239 5.244 0.469 1.00 0.00 N ATOM 1143 CA ILE A 74 -4.103 4.431 0.054 1.00 0.00 C ATOM 1144 C ILE A 74 -2.786 5.145 0.343 1.00 0.00 C ATOM 1145 O ILE A 74 -1.759 4.507 0.569 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.175 4.090 -1.447 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.528 3.458 -1.783 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -3.038 3.159 -1.840 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.734 2.097 -1.152 1.00 0.00 C ATOM 0 H ILE A 74 -5.740 5.692 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.145 3.506 0.629 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.072 5.013 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.324 4.126 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.618 3.365 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.106 2.930 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.083 3.643 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.108 2.236 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.713 1.710 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.960 1.413 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.677 2.187 -0.067 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.826 6.474 0.340 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.635 7.272 0.607 1.00 0.00 C ATOM 1163 C ASP A 75 -1.168 7.082 2.047 1.00 0.00 C ATOM 1164 O ASP A 75 -0.009 6.744 2.295 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.917 8.752 0.340 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.646 9.563 0.179 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.076 9.986 1.207 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.220 9.774 -0.976 1.00 0.00 O ATOM 0 H ASP A 75 -3.668 7.019 0.156 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.843 6.935 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.522 8.847 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.504 9.161 1.162 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.078 7.295 2.992 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.742 7.139 4.395 1.00 0.00 C ATOM 1175 C GLY A 76 -1.493 5.692 4.772 1.00 0.00 C ATOM 1176 O GLY A 76 -0.706 5.405 5.673 1.00 0.00 O ATOM 0 H GLY A 76 -3.043 7.573 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.853 7.729 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.552 7.537 5.006 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.165 4.781 4.077 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.013 3.354 4.340 1.00 0.00 C ATOM 1182 C LEU A 77 -0.612 2.882 3.956 1.00 0.00 C ATOM 1183 O LEU A 77 0.021 2.120 4.688 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.067 2.560 3.561 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.930 1.036 3.638 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.709 0.588 5.075 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.163 0.365 3.050 1.00 0.00 C ATOM 0 H LEU A 77 -2.820 5.005 3.328 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.155 3.183 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.054 2.838 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.023 2.860 2.514 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.061 0.737 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.614 -0.497 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.797 1.043 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.557 0.897 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.052 -0.718 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.046 0.672 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.275 0.660 2.007 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.134 3.349 2.810 1.00 0.00 N ATOM 1200 CA ILE A 78 1.193 2.983 2.331 1.00 0.00 C ATOM 1201 C ILE A 78 2.276 3.805 3.026 1.00 0.00 C ATOM 1202 O ILE A 78 3.456 3.456 2.982 1.00 0.00 O ATOM 1203 CB ILE A 78 1.305 3.171 0.804 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.293 2.276 0.088 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.719 2.866 0.325 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.466 0.808 0.402 1.00 0.00 C ATOM 0 H ILE A 78 -0.645 3.982 2.195 1.00 0.00 H new ATOM 0 HA ILE A 78 1.342 1.930 2.569 1.00 0.00 H new ATOM 0 HB ILE A 78 1.083 4.211 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.715 2.584 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.385 2.424 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.775 3.005 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.422 3.540 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.972 1.835 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.283 0.230 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.462 0.486 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.345 0.648 1.473 1.00 0.00 H new ATOM 1218 N ASP A 79 1.871 4.893 3.675 1.00 0.00 N ATOM 1219 CA ASP A 79 2.814 5.749 4.384 1.00 0.00 C ATOM 1220 C ASP A 79 3.231 5.110 5.704 1.00 0.00 C ATOM 1221 O ASP A 79 4.412 4.847 5.933 1.00 0.00 O ATOM 1222 CB ASP A 79 2.198 7.126 4.638 1.00 0.00 C ATOM 1223 CG ASP A 79 3.207 8.247 4.487 1.00 0.00 C ATOM 1224 OD1 ASP A 79 3.678 8.472 3.351 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.526 8.900 5.501 1.00 0.00 O ATOM 0 H ASP A 79 0.900 5.201 3.724 1.00 0.00 H new ATOM 0 HA ASP A 79 3.700 5.870 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.374 7.286 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.777 7.153 5.643 1.00 0.00 H new ATOM 1230 N LYS A 80 2.253 4.859 6.569 1.00 0.00 N ATOM 1231 CA LYS A 80 2.520 4.247 7.865 1.00 0.00 C ATOM 1232 C LYS A 80 3.059 2.831 7.687 1.00 0.00 C ATOM 1233 O LYS A 80 3.939 2.395 8.429 1.00 0.00 O ATOM 1234 CB LYS A 80 1.250 4.229 8.722 1.00 0.00 C ATOM 1235 CG LYS A 80 0.195 3.248 8.238 1.00 0.00 C ATOM 1236 CD LYS A 80 -1.049 3.290 9.110 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.680 4.675 9.120 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.569 5.325 10.455 1.00 0.00 N ATOM 0 H LYS A 80 1.270 5.070 6.396 1.00 0.00 H new ATOM 0 HA LYS A 80 3.275 4.843 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.520 3.981 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.820 5.231 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.074 3.481 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.607 2.239 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.774 2.562 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.790 3.000 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.195 5.300 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.731 4.598 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.010 6.266 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.053 4.741 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.566 5.422 10.711 1.00 0.00 H new ATOM 1252 N LEU A 81 2.532 2.120 6.693 1.00 0.00 N ATOM 1253 CA LEU A 81 2.967 0.758 6.415 1.00 0.00 C ATOM 1254 C LEU A 81 4.460 0.720 6.102 1.00 0.00 C ATOM 1255 O LEU A 81 5.202 -0.082 6.665 1.00 0.00 O ATOM 1256 CB LEU A 81 2.173 0.172 5.242 1.00 0.00 C ATOM 1257 CG LEU A 81 0.832 -0.480 5.601 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.007 -1.974 5.816 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.218 0.167 6.838 1.00 0.00 C ATOM 0 H LEU A 81 1.804 2.466 6.068 1.00 0.00 H new ATOM 0 HA LEU A 81 2.782 0.156 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.987 0.968 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.795 -0.571 4.743 1.00 0.00 H new ATOM 0 HG LEU A 81 0.150 -0.324 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.045 -2.420 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.389 -2.431 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.712 -2.144 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.732 -0.316 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.897 0.053 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.049 1.227 6.648 1.00 0.00 H new ATOM 1271 N ALA A 82 4.894 1.600 5.204 1.00 0.00 N ATOM 1272 CA ALA A 82 6.300 1.668 4.821 1.00 0.00 C ATOM 1273 C ALA A 82 7.196 1.846 6.043 1.00 0.00 C ATOM 1274 O ALA A 82 8.062 1.016 6.316 1.00 0.00 O ATOM 1275 CB ALA A 82 6.523 2.802 3.831 1.00 0.00 C ATOM 0 H ALA A 82 4.294 2.274 4.729 1.00 0.00 H new ATOM 0 HA ALA A 82 6.566 0.725 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.576 2.841 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.919 2.631 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.233 3.747 4.289 1.00 0.00 H new ATOM 1281 N ARG A 83 6.980 2.936 6.775 1.00 0.00 N ATOM 1282 CA ARG A 83 7.768 3.227 7.970 1.00 0.00 C ATOM 1283 C ARG A 83 7.813 2.024 8.908 1.00 0.00 C ATOM 1284 O ARG A 83 8.804 1.803 9.605 1.00 0.00 O ATOM 1285 CB ARG A 83 7.190 4.440 8.702 1.00 0.00 C ATOM 1286 CG ARG A 83 7.825 5.759 8.290 1.00 0.00 C ATOM 1287 CD ARG A 83 8.879 6.209 9.289 1.00 0.00 C ATOM 1288 NE ARG A 83 10.233 6.058 8.762 1.00 0.00 N ATOM 1289 CZ ARG A 83 10.800 6.916 7.917 1.00 0.00 C ATOM 1290 NH1 ARG A 83 10.133 7.985 7.499 1.00 0.00 N ATOM 1291 NH2 ARG A 83 12.037 6.705 7.487 1.00 0.00 N ATOM 0 H ARG A 83 6.266 3.632 6.562 1.00 0.00 H new ATOM 0 HA ARG A 83 8.787 3.451 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.117 4.489 8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.321 4.303 9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.279 5.653 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.053 6.524 8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.707 7.253 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.780 5.629 10.206 1.00 0.00 H new ATOM 0 HE ARG A 83 10.776 5.247 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.181 8.152 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.572 8.639 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.554 5.885 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.471 7.363 6.839 1.00 0.00 H new ATOM 1305 N GLN A 84 6.735 1.244 8.920 1.00 0.00 N ATOM 1306 CA GLN A 84 6.655 0.063 9.772 1.00 0.00 C ATOM 1307 C GLN A 84 7.500 -1.072 9.202 1.00 0.00 C ATOM 1308 O GLN A 84 8.239 -1.735 9.932 1.00 0.00 O ATOM 1309 CB GLN A 84 5.201 -0.391 9.916 1.00 0.00 C ATOM 1310 CG GLN A 84 4.448 0.326 11.027 1.00 0.00 C ATOM 1311 CD GLN A 84 5.103 0.146 12.383 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.789 -0.845 12.629 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.893 1.110 13.274 1.00 0.00 N ATOM 0 H GLN A 84 5.906 1.409 8.349 1.00 0.00 H new ATOM 0 HA GLN A 84 7.044 0.326 10.756 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.682 -0.227 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.181 -1.464 10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.389 1.389 10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.425 -0.049 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.317 1.915 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.308 1.045 14.204 1.00 0.00 H new ATOM 1322 N LEU A 85 7.388 -1.288 7.896 1.00 0.00 N ATOM 1323 CA LEU A 85 8.146 -2.340 7.228 1.00 0.00 C ATOM 1324 C LEU A 85 9.645 -2.128 7.404 1.00 0.00 C ATOM 1325 O LEU A 85 10.387 -3.072 7.677 1.00 0.00 O ATOM 1326 CB LEU A 85 7.796 -2.390 5.736 1.00 0.00 C ATOM 1327 CG LEU A 85 6.584 -3.255 5.366 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.952 -4.730 5.410 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.401 -2.969 6.283 1.00 0.00 C ATOM 0 H LEU A 85 6.780 -0.749 7.279 1.00 0.00 H new ATOM 0 HA LEU A 85 7.875 -3.291 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.612 -1.373 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.664 -2.760 5.190 1.00 0.00 H new ATOM 0 HG LEU A 85 6.286 -3.000 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.082 -5.330 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.757 -4.925 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.282 -4.993 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.558 -3.597 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.680 -3.185 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.118 -1.920 6.196 1.00 0.00 H new ATOM 1341 N THR A 86 10.086 -0.884 7.252 1.00 0.00 N ATOM 1342 CA THR A 86 11.500 -0.552 7.400 1.00 0.00 C ATOM 1343 C THR A 86 11.969 -0.789 8.831 1.00 0.00 C ATOM 1344 O THR A 86 13.072 -1.287 9.059 1.00 0.00 O ATOM 1345 CB THR A 86 11.747 0.907 7.008 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.915 1.285 5.926 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.179 1.183 6.602 1.00 0.00 C ATOM 0 H THR A 86 9.487 -0.090 7.027 1.00 0.00 H new ATOM 0 HA THR A 86 12.070 -1.203 6.737 1.00 0.00 H new ATOM 0 HB THR A 86 11.520 1.488 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.888 0.561 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.286 2.235 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.844 0.949 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.440 0.564 5.744 1.00 0.00 H new ATOM 1355 N LYS A 87 11.124 -0.430 9.793 1.00 0.00 N ATOM 1356 CA LYS A 87 11.452 -0.600 11.203 1.00 0.00 C ATOM 1357 C LYS A 87 11.856 -2.041 11.509 1.00 0.00 C ATOM 1358 O LYS A 87 12.969 -2.299 11.965 1.00 0.00 O ATOM 1359 CB LYS A 87 10.261 -0.195 12.076 1.00 0.00 C ATOM 1360 CG LYS A 87 10.649 0.643 13.283 1.00 0.00 C ATOM 1361 CD LYS A 87 10.886 -0.223 14.510 1.00 0.00 C ATOM 1362 CE LYS A 87 9.695 -0.188 15.455 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.104 -0.395 16.872 1.00 0.00 N ATOM 0 H LYS A 87 10.206 -0.019 9.621 1.00 0.00 H new ATOM 0 HA LYS A 87 12.300 0.046 11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.550 0.365 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.749 -1.095 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.551 1.211 13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.861 1.366 13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.076 -1.251 14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.778 0.122 15.034 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.185 0.771 15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.980 -0.959 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.264 -0.364 17.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.568 -1.321 16.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.766 0.355 17.155 1.00 0.00 H new ATOM 1377 N HIS A 88 10.942 -2.975 11.263 1.00 0.00 N ATOM 1378 CA HIS A 88 11.207 -4.386 11.521 1.00 0.00 C ATOM 1379 C HIS A 88 12.242 -4.943 10.544 1.00 0.00 C ATOM 1380 O HIS A 88 12.975 -5.875 10.870 1.00 0.00 O ATOM 1381 CB HIS A 88 9.906 -5.199 11.456 1.00 0.00 C ATOM 1382 CG HIS A 88 9.438 -5.527 10.068 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.179 -5.207 9.607 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.060 -6.162 9.045 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.044 -5.635 8.365 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.172 -6.216 7.998 1.00 0.00 N ATOM 0 H HIS A 88 10.014 -2.781 10.886 1.00 0.00 H new ATOM 0 HA HIS A 88 11.619 -4.472 12.526 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.047 -6.129 12.006 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.120 -4.643 11.967 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.067 -6.553 9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.161 -5.528 7.753 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.354 -6.636 7.086 1.00 0.00 H new ATOM 1395 N LYS A 89 12.294 -4.370 9.346 1.00 0.00 N ATOM 1396 CA LYS A 89 13.239 -4.815 8.328 1.00 0.00 C ATOM 1397 C LYS A 89 14.680 -4.537 8.751 1.00 0.00 C ATOM 1398 O LYS A 89 15.614 -5.162 8.249 1.00 0.00 O ATOM 1399 CB LYS A 89 12.947 -4.128 6.992 1.00 0.00 C ATOM 1400 CG LYS A 89 13.838 -4.604 5.856 1.00 0.00 C ATOM 1401 CD LYS A 89 14.970 -3.628 5.583 1.00 0.00 C ATOM 1402 CE LYS A 89 15.461 -3.732 4.150 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.216 -2.519 3.729 1.00 0.00 N ATOM 0 H LYS A 89 11.694 -3.598 9.057 1.00 0.00 H new ATOM 0 HA LYS A 89 13.118 -5.892 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.905 -4.303 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.069 -3.052 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.252 -5.582 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.240 -4.730 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.630 -2.611 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.795 -3.826 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.099 -4.610 4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.610 -3.878 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.533 -2.632 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.600 -1.684 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.043 -2.393 4.347 1.00 0.00 H new ATOM 1417 N ASP A 90 14.856 -3.599 9.678 1.00 0.00 N ATOM 1418 CA ASP A 90 16.186 -3.247 10.163 1.00 0.00 C ATOM 1419 C ASP A 90 16.734 -4.325 11.097 1.00 0.00 C ATOM 1420 O ASP A 90 17.947 -4.454 11.264 1.00 0.00 O ATOM 1421 CB ASP A 90 16.147 -1.901 10.888 1.00 0.00 C ATOM 1422 CG ASP A 90 16.403 -0.734 9.955 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.132 -0.920 8.958 1.00 0.00 O ATOM 1424 OD2 ASP A 90 15.872 0.366 10.221 1.00 0.00 O ATOM 0 H ASP A 90 14.096 -3.071 10.107 1.00 0.00 H new ATOM 0 HA ASP A 90 16.849 -3.171 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.174 -1.776 11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.893 -1.898 11.683 1.00 0.00 H new