USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 46 TYR OH : rot 31:sc= -0.0231 USER MOD Set 1.2: A 50 MET CE :methyl -179:sc= 0 (180deg=-0.00218) USER MOD Set 2.1: A 15 THR OG1 : rot -73:sc= 1.48 USER MOD Set 2.2: A 42 GLN : amide:sc= -0.835 K(o=0.64,f=-1.8) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0249) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.755 (180deg=-0.841) USER MOD Single : A 2 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 26 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.34) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0205 K(o=-0.021,f=-0.71) USER MOD Single : A 34 GLN : amide:sc= 0.574 K(o=0.57,f=-0.15) USER MOD Single : A 35 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.32) USER MOD Single : A 40 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 66 GLN : amide:sc= 0.37 K(o=0.37,f=-0.41) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.731 -6.891 -3.422 1.00 25.00 N ATOM 2 CA MET A 1 10.183 -5.722 -2.650 1.00 25.00 C ATOM 3 C MET A 1 9.957 -4.528 -3.552 1.00 25.00 C ATOM 4 O MET A 1 9.788 -3.393 -3.137 1.00 25.00 O ATOM 5 CB MET A 1 11.087 -5.397 -1.441 1.00 25.00 C ATOM 6 CG MET A 1 11.170 -6.590 -0.512 1.00 25.00 C ATOM 7 SD MET A 1 11.968 -6.185 1.079 1.00 25.00 S ATOM 8 CE MET A 1 13.698 -5.954 0.521 1.00 25.00 C ATOM 0 H1 MET A 1 10.844 -7.705 -2.785 1.00 25.00 H new ATOM 0 H2 MET A 1 10.074 -7.140 -4.189 1.00 25.00 H new ATOM 0 H3 MET A 1 11.655 -6.637 -3.827 1.00 25.00 H new ATOM 0 HA MET A 1 9.205 -5.994 -2.251 1.00 25.00 H new ATOM 0 HB2 MET A 1 12.085 -5.126 -1.787 1.00 25.00 H new ATOM 0 HB3 MET A 1 10.691 -4.535 -0.903 1.00 25.00 H new ATOM 0 HG2 MET A 1 10.166 -6.971 -0.324 1.00 25.00 H new ATOM 0 HG3 MET A 1 11.727 -7.389 -1.001 1.00 25.00 H new ATOM 0 HE1 MET A 1 14.337 -5.770 1.384 1.00 25.00 H new ATOM 0 HE2 MET A 1 14.036 -6.852 0.004 1.00 25.00 H new ATOM 0 HE3 MET A 1 13.751 -5.103 -0.158 1.00 25.00 H new ATOM 19 N GLN A 2 9.911 -4.836 -4.846 1.00 25.00 N ATOM 20 CA GLN A 2 9.636 -3.857 -5.910 1.00 25.00 C ATOM 21 C GLN A 2 8.139 -3.450 -5.990 1.00 25.00 C ATOM 22 O GLN A 2 7.520 -3.384 -7.077 1.00 25.00 O ATOM 23 CB GLN A 2 10.146 -4.397 -7.263 1.00 25.00 C ATOM 24 CG GLN A 2 9.502 -5.698 -7.797 1.00 25.00 C ATOM 25 CD GLN A 2 10.098 -6.953 -7.200 1.00 25.00 C ATOM 26 OE1 GLN A 2 11.290 -7.075 -7.076 1.00 25.00 O ATOM 27 NE2 GLN A 2 9.253 -7.879 -6.828 1.00 25.00 N ATOM 0 H GLN A 2 10.065 -5.782 -5.196 1.00 25.00 H new ATOM 0 HA GLN A 2 10.177 -2.944 -5.661 1.00 25.00 H new ATOM 0 HB2 GLN A 2 10.003 -3.618 -8.012 1.00 25.00 H new ATOM 0 HB3 GLN A 2 11.220 -4.563 -7.176 1.00 25.00 H new ATOM 0 HG2 GLN A 2 8.433 -5.678 -7.588 1.00 25.00 H new ATOM 0 HG3 GLN A 2 9.614 -5.732 -8.881 1.00 25.00 H new ATOM 0 HE21 GLN A 2 8.251 -7.734 -6.951 1.00 25.00 H new ATOM 0 HE22 GLN A 2 9.596 -8.746 -6.414 1.00 25.00 H new ATOM 36 N GLN A 3 7.568 -3.155 -4.824 1.00 25.00 N ATOM 37 CA GLN A 3 6.178 -2.780 -4.684 1.00 25.00 C ATOM 38 C GLN A 3 5.933 -1.343 -5.193 1.00 25.00 C ATOM 39 O GLN A 3 5.463 -0.472 -4.484 1.00 25.00 O ATOM 40 CB GLN A 3 5.735 -2.919 -3.231 1.00 25.00 C ATOM 41 CG GLN A 3 4.201 -2.963 -3.047 1.00 25.00 C ATOM 42 CD GLN A 3 3.798 -3.259 -1.600 1.00 25.00 C ATOM 43 OE1 GLN A 3 4.551 -3.039 -0.683 1.00 25.00 O ATOM 44 NE2 GLN A 3 2.608 -3.810 -1.413 1.00 25.00 N ATOM 0 H GLN A 3 8.075 -3.173 -3.939 1.00 25.00 H new ATOM 0 HA GLN A 3 5.582 -3.456 -5.297 1.00 25.00 H new ATOM 0 HB2 GLN A 3 6.168 -3.829 -2.815 1.00 25.00 H new ATOM 0 HB3 GLN A 3 6.136 -2.084 -2.657 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.773 -2.008 -3.353 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.780 -3.726 -3.702 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.995 -3.983 -2.210 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.305 -4.061 -0.472 1.00 25.00 H new ATOM 53 N LYS A 4 6.256 -1.125 -6.462 1.00 25.00 N ATOM 54 CA LYS A 4 6.136 0.186 -7.105 1.00 25.00 C ATOM 55 C LYS A 4 5.446 0.045 -8.451 1.00 25.00 C ATOM 56 O LYS A 4 4.731 0.938 -8.878 1.00 25.00 O ATOM 57 CB LYS A 4 7.559 0.773 -7.273 1.00 25.00 C ATOM 58 CG LYS A 4 8.525 -0.076 -8.067 1.00 25.00 C ATOM 59 CD LYS A 4 9.930 0.489 -7.966 1.00 25.00 C ATOM 60 CE LYS A 4 10.902 -0.334 -8.829 1.00 25.00 C ATOM 61 NZ LYS A 4 12.340 0.168 -8.713 1.00 25.00 N ATOM 0 H LYS A 4 6.611 -1.854 -7.081 1.00 25.00 H new ATOM 0 HA LYS A 4 5.533 0.857 -6.493 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.477 1.747 -7.756 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.982 0.943 -6.283 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.510 -1.100 -7.695 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.215 -0.112 -9.111 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.935 1.529 -8.292 1.00 25.00 H new ATOM 0 HD3 LYS A 4 10.259 0.480 -6.927 1.00 25.00 H new ATOM 0 HE2 LYS A 4 10.858 -1.380 -8.526 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.586 -0.291 -9.871 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 12.960 -0.415 -9.310 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 12.388 1.158 -9.026 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 12.652 0.103 -7.723 1.00 25.00 H new ATOM 75 N GLN A 5 5.590 -1.100 -9.092 1.00 25.00 N ATOM 76 CA GLN A 5 5.016 -1.292 -10.404 1.00 25.00 C ATOM 77 C GLN A 5 3.495 -1.439 -10.398 1.00 25.00 C ATOM 78 O GLN A 5 2.866 -1.099 -11.376 1.00 25.00 O ATOM 79 CB GLN A 5 5.662 -2.500 -11.071 1.00 25.00 C ATOM 80 CG GLN A 5 7.147 -2.294 -11.361 1.00 25.00 C ATOM 81 CD GLN A 5 7.784 -3.505 -12.009 1.00 25.00 C ATOM 82 OE1 GLN A 5 7.984 -4.514 -11.364 1.00 25.00 O ATOM 83 NE2 GLN A 5 8.119 -3.393 -13.260 1.00 25.00 N ATOM 0 H GLN A 5 6.097 -1.905 -8.725 1.00 25.00 H new ATOM 0 HA GLN A 5 5.225 -0.386 -10.972 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.540 -3.372 -10.429 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.141 -2.716 -12.004 1.00 25.00 H new ATOM 0 HG2 GLN A 5 7.270 -1.430 -12.014 1.00 25.00 H new ATOM 0 HG3 GLN A 5 7.668 -2.068 -10.431 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.931 -2.525 -13.763 1.00 25.00 H new ATOM 0 HE22 GLN A 5 8.570 -4.173 -13.739 1.00 25.00 H new ATOM 92 N GLN A 6 2.895 -1.859 -9.289 1.00 25.00 N ATOM 93 CA GLN A 6 1.431 -1.899 -9.184 1.00 25.00 C ATOM 94 C GLN A 6 0.869 -0.481 -9.387 1.00 25.00 C ATOM 95 O GLN A 6 -0.108 -0.270 -10.070 1.00 25.00 O ATOM 96 CB GLN A 6 1.019 -2.396 -7.783 1.00 25.00 C ATOM 97 CG GLN A 6 1.239 -3.901 -7.559 1.00 25.00 C ATOM 98 CD GLN A 6 0.015 -4.745 -7.949 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.629 -4.503 -8.953 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.285 -5.719 -7.132 1.00 25.00 N ATOM 0 H GLN A 6 3.389 -2.175 -8.455 1.00 25.00 H new ATOM 0 HA GLN A 6 1.038 -2.574 -9.944 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.583 -1.842 -7.033 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.035 -2.166 -7.623 1.00 25.00 H new ATOM 0 HG2 GLN A 6 2.101 -4.228 -8.141 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.477 -4.077 -6.510 1.00 25.00 H new ATOM 0 HE21 GLN A 6 0.285 -5.883 -6.302 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.090 -6.316 -7.324 1.00 25.00 H new ATOM 109 N ILE A 7 1.528 0.485 -8.764 1.00 25.00 N ATOM 110 CA ILE A 7 1.089 1.879 -8.808 1.00 25.00 C ATOM 111 C ILE A 7 1.300 2.417 -10.248 1.00 25.00 C ATOM 112 O ILE A 7 0.472 3.132 -10.790 1.00 25.00 O ATOM 113 CB ILE A 7 1.922 2.722 -7.788 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.701 2.155 -6.354 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.528 4.219 -7.855 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.692 2.685 -5.330 1.00 25.00 C ATOM 0 H ILE A 7 2.375 0.331 -8.217 1.00 25.00 H new ATOM 0 HA ILE A 7 0.035 1.952 -8.541 1.00 25.00 H new ATOM 0 HB ILE A 7 2.979 2.650 -8.044 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.690 2.398 -6.028 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.772 1.068 -6.387 1.00 25.00 H new ATOM 0 HG21 ILE A 7 2.121 4.784 -7.136 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.715 4.600 -8.859 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.470 4.328 -7.617 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.477 2.247 -4.355 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.705 2.419 -5.632 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.605 3.770 -5.267 1.00 25.00 H new ATOM 128 N MET A 8 2.409 2.020 -10.875 1.00 25.00 N ATOM 129 CA MET A 8 2.686 2.462 -12.229 1.00 25.00 C ATOM 130 C MET A 8 1.587 1.960 -13.162 1.00 25.00 C ATOM 131 O MET A 8 1.120 2.701 -13.992 1.00 25.00 O ATOM 132 CB MET A 8 4.040 1.990 -12.722 1.00 25.00 C ATOM 133 CG MET A 8 5.196 2.580 -11.925 1.00 25.00 C ATOM 134 SD MET A 8 6.789 2.139 -12.642 1.00 25.00 S ATOM 135 CE MET A 8 7.003 3.424 -13.950 1.00 25.00 C ATOM 0 H MET A 8 3.114 1.404 -10.470 1.00 25.00 H new ATOM 0 HA MET A 8 2.707 3.552 -12.225 1.00 25.00 H new ATOM 0 HB2 MET A 8 4.083 0.902 -12.666 1.00 25.00 H new ATOM 0 HB3 MET A 8 4.154 2.259 -13.772 1.00 25.00 H new ATOM 0 HG2 MET A 8 5.099 3.665 -11.892 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.148 2.224 -10.896 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.949 3.263 -14.467 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.183 3.356 -14.665 1.00 25.00 H new ATOM 0 HE3 MET A 8 7.004 4.413 -13.492 1.00 25.00 H new ATOM 145 N ALA A 9 1.150 0.715 -13.004 1.00 25.00 N ATOM 146 CA ALA A 9 0.095 0.172 -13.862 1.00 25.00 C ATOM 147 C ALA A 9 -1.216 0.977 -13.673 1.00 25.00 C ATOM 148 O ALA A 9 -1.905 1.292 -14.663 1.00 25.00 O ATOM 149 CB ALA A 9 -0.142 -1.321 -13.579 1.00 25.00 C ATOM 0 H ALA A 9 1.503 0.067 -12.300 1.00 25.00 H new ATOM 0 HA ALA A 9 0.420 0.266 -14.898 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -0.931 -1.694 -14.232 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.777 -1.877 -13.765 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -0.440 -1.451 -12.539 1.00 25.00 H new ATOM 155 N ALA A 10 -1.514 1.352 -12.428 1.00 25.00 N ATOM 156 CA ALA A 10 -2.725 2.147 -12.139 1.00 25.00 C ATOM 157 C ALA A 10 -2.655 3.517 -12.817 1.00 25.00 C ATOM 158 O ALA A 10 -3.599 3.960 -13.457 1.00 25.00 O ATOM 159 CB ALA A 10 -2.876 2.321 -10.604 1.00 25.00 C ATOM 0 H ALA A 10 -0.948 1.126 -11.610 1.00 25.00 H new ATOM 0 HA ALA A 10 -3.592 1.618 -12.534 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -3.770 2.908 -10.390 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -2.964 1.342 -10.134 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.001 2.836 -10.208 1.00 25.00 H new ATOM 165 N LEU A 11 -1.514 4.171 -12.688 1.00 25.00 N ATOM 166 CA LEU A 11 -1.302 5.467 -13.322 1.00 25.00 C ATOM 167 C LEU A 11 -1.316 5.370 -14.817 1.00 25.00 C ATOM 168 O LEU A 11 -1.807 6.278 -15.484 1.00 25.00 O ATOM 169 CB LEU A 11 0.028 6.063 -12.871 1.00 25.00 C ATOM 170 CG LEU A 11 0.118 6.432 -11.378 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.544 6.790 -10.990 1.00 25.00 C ATOM 172 CD2 LEU A 11 -0.776 7.581 -11.013 1.00 25.00 C ATOM 0 H LEU A 11 -0.718 3.828 -12.150 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.125 6.113 -13.015 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.821 5.351 -13.100 1.00 25.00 H new ATOM 0 HB3 LEU A 11 0.223 6.958 -13.461 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.211 5.548 -10.832 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.580 7.046 -9.931 1.00 25.00 H new ATOM 0 HD12 LEU A 11 2.197 5.938 -11.179 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.879 7.642 -11.581 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.673 7.799 -9.950 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.494 8.460 -11.592 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -1.812 7.320 -11.231 1.00 25.00 H new ATOM 184 N ASN A 12 -0.793 4.284 -15.353 1.00 25.00 N ATOM 185 CA ASN A 12 -0.734 4.126 -16.790 1.00 25.00 C ATOM 186 C ASN A 12 -2.132 4.042 -17.366 1.00 25.00 C ATOM 187 O ASN A 12 -2.402 4.624 -18.394 1.00 25.00 O ATOM 188 CB ASN A 12 0.093 2.895 -17.179 1.00 25.00 C ATOM 189 CG ASN A 12 1.555 3.073 -16.891 1.00 25.00 C ATOM 190 OD1 ASN A 12 2.000 4.152 -16.538 1.00 25.00 O ATOM 191 ND2 ASN A 12 2.304 2.036 -17.058 1.00 25.00 N ATOM 0 H ASN A 12 -0.407 3.505 -14.819 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.238 5.001 -17.210 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.278 2.025 -16.637 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.043 2.690 -18.241 1.00 25.00 H new ATOM 0 HD21 ASN A 12 3.309 2.101 -16.894 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.892 1.151 -17.354 1.00 25.00 H new ATOM 198 N SER A 13 -3.037 3.344 -16.687 1.00 25.00 N ATOM 199 CA SER A 13 -4.424 3.257 -17.155 1.00 25.00 C ATOM 200 C SER A 13 -5.156 4.575 -16.967 1.00 25.00 C ATOM 201 O SER A 13 -5.884 5.029 -17.864 1.00 25.00 O ATOM 202 CB SER A 13 -5.125 2.150 -16.409 1.00 25.00 C ATOM 203 OG SER A 13 -6.441 1.958 -16.897 1.00 25.00 O ATOM 0 H SER A 13 -2.844 2.836 -15.824 1.00 25.00 H new ATOM 0 HA SER A 13 -4.423 3.038 -18.223 1.00 25.00 H new ATOM 0 HB2 SER A 13 -4.558 1.224 -16.509 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.160 2.389 -15.346 1.00 25.00 H new ATOM 0 HG SER A 13 -6.873 1.234 -16.397 1.00 25.00 H new ATOM 209 N GLN A 14 -4.953 5.208 -15.814 1.00 25.00 N ATOM 210 CA GLN A 14 -5.622 6.478 -15.527 1.00 25.00 C ATOM 211 C GLN A 14 -5.262 7.600 -16.521 1.00 25.00 C ATOM 212 O GLN A 14 -6.118 8.399 -16.904 1.00 25.00 O ATOM 213 CB GLN A 14 -5.208 6.974 -14.116 1.00 25.00 C ATOM 214 CG GLN A 14 -5.772 6.187 -12.935 1.00 25.00 C ATOM 215 CD GLN A 14 -7.078 6.746 -12.412 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.137 6.468 -12.959 1.00 25.00 O ATOM 217 NE2 GLN A 14 -7.011 7.525 -11.368 1.00 25.00 N ATOM 0 H GLN A 14 -4.340 4.870 -15.072 1.00 25.00 H new ATOM 0 HA GLN A 14 -6.691 6.277 -15.603 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.120 6.957 -14.052 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.517 8.014 -14.014 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.923 5.151 -13.237 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.039 6.180 -12.128 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -6.107 7.731 -10.943 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -7.862 7.928 -10.977 1.00 25.00 H new ATOM 226 N THR A 15 -4.000 7.702 -16.898 1.00 25.00 N ATOM 227 CA THR A 15 -3.557 8.839 -17.683 1.00 25.00 C ATOM 228 C THR A 15 -3.438 8.582 -19.187 1.00 25.00 C ATOM 229 O THR A 15 -3.105 9.497 -19.938 1.00 25.00 O ATOM 230 CB THR A 15 -2.184 9.333 -17.234 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.236 8.267 -17.386 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.178 9.765 -15.778 1.00 25.00 C ATOM 0 H THR A 15 -3.273 7.021 -16.677 1.00 25.00 H new ATOM 0 HA THR A 15 -4.343 9.574 -17.510 1.00 25.00 H new ATOM 0 HB THR A 15 -1.926 10.195 -17.849 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.383 7.597 -16.686 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.180 10.108 -15.504 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.892 10.576 -15.636 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.457 8.921 -15.147 1.00 25.00 H new ATOM 240 N ALA A 16 -3.651 7.332 -19.603 1.00 25.00 N ATOM 241 CA ALA A 16 -3.427 6.909 -20.986 1.00 25.00 C ATOM 242 C ALA A 16 -3.988 7.875 -22.034 1.00 25.00 C ATOM 243 O ALA A 16 -3.247 8.459 -22.823 1.00 25.00 O ATOM 244 CB ALA A 16 -4.048 5.504 -21.220 1.00 25.00 C ATOM 0 H ALA A 16 -3.983 6.586 -18.992 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.345 6.891 -21.116 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -3.876 5.198 -22.252 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -3.584 4.784 -20.546 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.120 5.543 -21.027 1.00 25.00 H new ATOM 250 N VAL A 17 -5.309 8.016 -22.066 1.00 25.00 N ATOM 251 CA VAL A 17 -5.957 8.799 -23.132 1.00 25.00 C ATOM 252 C VAL A 17 -5.705 10.294 -22.942 1.00 25.00 C ATOM 253 O VAL A 17 -5.623 11.044 -23.913 1.00 25.00 O ATOM 254 CB VAL A 17 -7.488 8.478 -23.232 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.244 9.036 -22.024 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.084 9.036 -24.553 1.00 25.00 C ATOM 0 H VAL A 17 -5.949 7.610 -21.383 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.507 8.506 -24.081 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.603 7.394 -23.235 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.304 8.800 -22.117 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -7.852 8.588 -21.111 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.115 10.118 -21.982 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.147 8.801 -24.600 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.949 10.117 -24.585 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.574 8.582 -25.403 1.00 25.00 H new ATOM 266 N GLN A 18 -5.514 10.713 -21.697 1.00 25.00 N ATOM 267 CA GLN A 18 -5.220 12.130 -21.417 1.00 25.00 C ATOM 268 C GLN A 18 -3.902 12.565 -22.039 1.00 25.00 C ATOM 269 O GLN A 18 -3.808 13.621 -22.651 1.00 25.00 O ATOM 270 CB GLN A 18 -5.201 12.353 -19.902 1.00 25.00 C ATOM 271 CG GLN A 18 -6.512 12.872 -19.382 1.00 25.00 C ATOM 272 CD GLN A 18 -7.642 11.923 -19.634 1.00 25.00 C ATOM 273 OE1 GLN A 18 -7.644 10.794 -19.161 1.00 25.00 O ATOM 274 NE2 GLN A 18 -8.577 12.321 -20.447 1.00 25.00 N ATOM 0 H GLN A 18 -5.554 10.112 -20.874 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.003 12.740 -21.867 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -4.961 11.414 -19.402 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.409 13.059 -19.651 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -6.428 13.056 -18.311 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.733 13.830 -19.853 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -8.553 13.267 -20.828 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -9.334 11.687 -20.703 1.00 25.00 H new ATOM 283 N PHE A 19 -2.867 11.758 -21.889 1.00 25.00 N ATOM 284 CA PHE A 19 -1.570 12.124 -22.411 1.00 25.00 C ATOM 285 C PHE A 19 -1.479 11.864 -23.895 1.00 25.00 C ATOM 286 O PHE A 19 -0.710 12.501 -24.598 1.00 25.00 O ATOM 287 CB PHE A 19 -0.467 11.387 -21.652 1.00 25.00 C ATOM 288 CG PHE A 19 -0.275 11.826 -20.212 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.736 13.092 -19.731 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.391 10.979 -19.321 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.510 13.456 -18.381 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.594 11.351 -17.981 1.00 25.00 C ATOM 293 CZ PHE A 19 0.142 12.575 -17.514 1.00 25.00 C ATOM 0 H PHE A 19 -2.901 10.855 -21.415 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.434 13.195 -22.263 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.689 10.320 -21.664 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.474 11.523 -22.186 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.255 13.768 -20.395 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.755 10.023 -19.668 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.843 14.418 -18.020 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.106 10.678 -17.310 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.294 12.848 -16.480 1.00 25.00 H new ATOM 303 N GLN A 20 -2.307 10.951 -24.400 1.00 25.00 N ATOM 304 CA GLN A 20 -2.329 10.653 -25.822 1.00 25.00 C ATOM 305 C GLN A 20 -2.690 11.867 -26.661 1.00 25.00 C ATOM 306 O GLN A 20 -2.145 12.049 -27.729 1.00 25.00 O ATOM 307 CB GLN A 20 -3.317 9.531 -26.097 1.00 25.00 C ATOM 308 CG GLN A 20 -3.213 8.959 -27.501 1.00 25.00 C ATOM 309 CD GLN A 20 -4.181 7.817 -27.696 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.116 6.814 -27.003 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.083 7.961 -28.633 1.00 25.00 N ATOM 0 H GLN A 20 -2.968 10.409 -23.843 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.322 10.346 -26.105 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.155 8.731 -25.375 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.329 9.903 -25.939 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.417 9.742 -28.232 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.196 8.612 -27.681 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.106 8.814 -29.192 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.763 7.220 -28.804 1.00 25.00 H new ATOM 320 N GLN A 21 -3.620 12.686 -26.206 1.00 25.00 N ATOM 321 CA GLN A 21 -4.014 13.865 -26.986 1.00 25.00 C ATOM 322 C GLN A 21 -2.832 14.821 -27.147 1.00 25.00 C ATOM 323 O GLN A 21 -2.563 15.312 -28.234 1.00 25.00 O ATOM 324 CB GLN A 21 -5.191 14.586 -26.343 1.00 25.00 C ATOM 325 CG GLN A 21 -6.471 13.765 -26.306 1.00 25.00 C ATOM 326 CD GLN A 21 -7.665 14.603 -25.924 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.634 15.314 -24.945 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.705 14.539 -26.725 1.00 25.00 N ATOM 0 H GLN A 21 -4.113 12.569 -25.321 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.326 13.522 -27.972 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.921 14.866 -25.325 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.380 15.511 -26.888 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.642 13.314 -27.284 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.358 12.948 -25.593 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.685 13.925 -27.539 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.532 15.104 -26.533 1.00 25.00 H new ATOM 337 N TYR A 22 -2.106 15.013 -26.067 1.00 25.00 N ATOM 338 CA TYR A 22 -0.914 15.837 -26.066 1.00 25.00 C ATOM 339 C TYR A 22 0.211 15.184 -26.899 1.00 25.00 C ATOM 340 O TYR A 22 0.895 15.853 -27.665 1.00 25.00 O ATOM 341 CB TYR A 22 -0.431 16.033 -24.612 1.00 25.00 C ATOM 342 CG TYR A 22 1.007 16.540 -24.491 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.303 17.922 -24.609 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.066 15.641 -24.248 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.641 18.389 -24.495 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.403 16.105 -24.152 1.00 25.00 C ATOM 347 CZ TYR A 22 3.677 17.468 -24.272 1.00 25.00 C ATOM 348 OH TYR A 22 4.974 17.914 -24.186 1.00 25.00 O ATOM 0 H TYR A 22 -2.326 14.601 -25.160 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.157 16.801 -26.513 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.096 16.738 -24.112 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.515 15.084 -24.082 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.504 18.627 -24.787 1.00 25.00 H new ATOM 0 HD2 TYR A 22 1.857 14.588 -24.134 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.859 19.443 -24.579 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.208 15.404 -23.986 1.00 25.00 H new ATOM 0 HH TYR A 22 5.572 17.153 -24.029 1.00 25.00 H new ATOM 358 N ALA A 23 0.396 13.873 -26.758 1.00 25.00 N ATOM 359 CA ALA A 23 1.437 13.138 -27.457 1.00 25.00 C ATOM 360 C ALA A 23 1.231 13.241 -28.962 1.00 25.00 C ATOM 361 O ALA A 23 2.172 13.312 -29.728 1.00 25.00 O ATOM 362 CB ALA A 23 1.440 11.671 -27.017 1.00 25.00 C ATOM 0 H ALA A 23 -0.179 13.290 -26.150 1.00 25.00 H new ATOM 0 HA ALA A 23 2.403 13.575 -27.206 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.225 11.133 -27.549 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.624 11.613 -25.944 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.474 11.221 -27.244 1.00 25.00 H new ATOM 368 N ALA A 24 -0.025 13.259 -29.371 1.00 25.00 N ATOM 369 CA ALA A 24 -0.355 13.367 -30.788 1.00 25.00 C ATOM 370 C ALA A 24 0.043 14.714 -31.376 1.00 25.00 C ATOM 371 O ALA A 24 0.316 14.842 -32.564 1.00 25.00 O ATOM 372 CB ALA A 24 -1.849 13.130 -30.965 1.00 25.00 C ATOM 0 H ALA A 24 -0.832 13.201 -28.749 1.00 25.00 H new ATOM 0 HA ALA A 24 0.214 12.611 -31.329 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.107 13.208 -32.021 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.105 12.135 -30.602 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.405 13.877 -30.399 1.00 25.00 H new ATOM 378 N GLN A 25 0.126 15.724 -30.533 1.00 25.00 N ATOM 379 CA GLN A 25 0.557 17.059 -30.967 1.00 25.00 C ATOM 380 C GLN A 25 2.095 17.117 -31.100 1.00 25.00 C ATOM 381 O GLN A 25 2.617 17.891 -31.873 1.00 25.00 O ATOM 382 CB GLN A 25 0.120 18.107 -29.947 1.00 25.00 C ATOM 383 CG GLN A 25 -0.900 19.091 -30.499 1.00 25.00 C ATOM 384 CD GLN A 25 -1.424 20.024 -29.436 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.757 20.327 -28.465 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.628 20.497 -29.617 1.00 25.00 N ATOM 0 H GLN A 25 -0.097 15.656 -29.540 1.00 25.00 H new ATOM 0 HA GLN A 25 0.099 17.263 -31.935 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.303 17.604 -29.078 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.996 18.657 -29.602 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.444 19.674 -31.299 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.732 18.541 -30.939 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.164 20.225 -30.441 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.032 21.138 -28.934 1.00 25.00 H new ATOM 395 N GLN A 26 2.779 16.269 -30.339 1.00 25.00 N ATOM 396 CA GLN A 26 4.245 16.172 -30.368 1.00 25.00 C ATOM 397 C GLN A 26 4.775 15.223 -31.452 1.00 25.00 C ATOM 398 O GLN A 26 5.696 15.562 -32.193 1.00 25.00 O ATOM 399 CB GLN A 26 4.747 15.672 -29.012 1.00 25.00 C ATOM 400 CG GLN A 26 5.003 16.770 -27.985 1.00 25.00 C ATOM 401 CD GLN A 26 6.339 17.439 -28.206 1.00 25.00 C ATOM 402 OE1 GLN A 26 7.342 16.770 -28.347 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.344 18.740 -28.271 1.00 25.00 N ATOM 0 H GLN A 26 2.337 15.626 -29.682 1.00 25.00 H new ATOM 0 HA GLN A 26 4.614 17.172 -30.595 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.016 14.974 -28.604 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.670 15.113 -29.165 1.00 25.00 H new ATOM 0 HG2 GLN A 26 4.209 17.515 -28.042 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.970 16.345 -26.982 1.00 25.00 H new ATOM 0 HE21 GLN A 26 5.476 19.260 -28.146 1.00 25.00 H new ATOM 0 HE22 GLN A 26 7.216 19.238 -28.447 1.00 25.00 H new ATOM 412 N TYR A 27 4.171 14.044 -31.540 1.00 25.00 N ATOM 413 CA TYR A 27 4.560 13.046 -32.522 1.00 25.00 C ATOM 414 C TYR A 27 3.348 12.655 -33.363 1.00 25.00 C ATOM 415 O TYR A 27 2.769 11.568 -33.184 1.00 25.00 O ATOM 416 CB TYR A 27 5.145 11.813 -31.817 1.00 25.00 C ATOM 417 CG TYR A 27 6.401 12.122 -31.018 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.470 12.835 -31.620 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.546 11.718 -29.692 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.646 13.144 -30.912 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.742 12.038 -28.967 1.00 25.00 C ATOM 422 CZ TYR A 27 8.760 12.761 -29.574 1.00 25.00 C ATOM 423 OH TYR A 27 9.883 13.049 -28.810 1.00 25.00 O ATOM 0 H TYR A 27 3.402 13.756 -30.935 1.00 25.00 H new ATOM 0 HA TYR A 27 5.324 13.464 -33.177 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.392 11.392 -31.151 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.374 11.051 -32.562 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.378 13.149 -32.649 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.756 11.162 -29.209 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.453 13.672 -31.399 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.851 11.714 -27.942 1.00 25.00 H new ATOM 0 HH TYR A 27 9.762 12.696 -27.904 1.00 25.00 H new ATOM 433 N PRO A 28 2.902 13.552 -34.277 1.00 25.00 N ATOM 434 CA PRO A 28 1.684 13.205 -35.024 1.00 25.00 C ATOM 435 C PRO A 28 1.871 12.108 -36.049 1.00 25.00 C ATOM 436 O PRO A 28 2.882 12.031 -36.726 1.00 25.00 O ATOM 437 CB PRO A 28 1.305 14.540 -35.679 1.00 25.00 C ATOM 438 CG PRO A 28 2.611 15.239 -35.861 1.00 25.00 C ATOM 439 CD PRO A 28 3.415 14.874 -34.640 1.00 25.00 C ATOM 0 HA PRO A 28 0.915 12.789 -34.373 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.798 14.387 -36.632 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.629 15.116 -35.047 1.00 25.00 H new ATOM 0 HG2 PRO A 28 3.109 14.915 -36.775 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.475 16.318 -35.938 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.483 14.845 -34.856 1.00 25.00 H new ATOM 0 HD3 PRO A 28 3.272 15.595 -33.835 1.00 25.00 H new ATOM 447 N GLY A 29 0.891 11.218 -36.111 1.00 25.00 N ATOM 448 CA GLY A 29 0.959 10.069 -36.993 1.00 25.00 C ATOM 449 C GLY A 29 1.830 8.919 -36.516 1.00 25.00 C ATOM 450 O GLY A 29 1.794 7.823 -37.075 1.00 25.00 O ATOM 0 H GLY A 29 0.037 11.273 -35.557 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.052 9.694 -37.148 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.328 10.401 -37.963 1.00 25.00 H new ATOM 454 N ASN A 30 2.624 9.158 -35.490 1.00 25.00 N ATOM 455 CA ASN A 30 3.571 8.140 -34.977 1.00 25.00 C ATOM 456 C ASN A 30 3.092 7.532 -33.683 1.00 25.00 C ATOM 457 O ASN A 30 3.443 7.973 -32.609 1.00 25.00 O ATOM 458 CB ASN A 30 4.943 8.769 -34.755 1.00 25.00 C ATOM 459 CG ASN A 30 5.675 9.010 -36.037 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.870 10.133 -36.445 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.032 7.951 -36.728 1.00 25.00 N ATOM 0 H ASN A 30 2.645 10.043 -34.983 1.00 25.00 H new ATOM 0 HA ASN A 30 3.636 7.349 -35.724 1.00 25.00 H new ATOM 0 HB2 ASN A 30 4.825 9.714 -34.224 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.539 8.117 -34.116 1.00 25.00 H new ATOM 0 HD21 ASN A 30 6.487 8.063 -37.634 1.00 25.00 H new ATOM 0 HD22 ASN A 30 5.855 7.017 -36.358 1.00 25.00 H new ATOM 468 N TYR A 31 2.290 6.475 -33.791 1.00 25.00 N ATOM 469 CA TYR A 31 1.760 5.803 -32.587 1.00 25.00 C ATOM 470 C TYR A 31 2.866 5.323 -31.644 1.00 25.00 C ATOM 471 O TYR A 31 2.792 5.534 -30.427 1.00 25.00 O ATOM 472 CB TYR A 31 0.921 4.609 -33.023 1.00 25.00 C ATOM 473 CG TYR A 31 0.464 3.742 -31.861 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.639 4.105 -31.069 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.157 2.536 -31.546 1.00 25.00 C ATOM 476 CE1 TYR A 31 -1.043 3.284 -29.952 1.00 25.00 C ATOM 477 CE2 TYR A 31 0.747 1.717 -30.456 1.00 25.00 C ATOM 478 CZ TYR A 31 -0.339 2.093 -29.669 1.00 25.00 C ATOM 479 OH TYR A 31 -0.718 1.284 -28.638 1.00 25.00 O ATOM 0 H TYR A 31 1.992 6.065 -34.676 1.00 25.00 H new ATOM 0 HA TYR A 31 1.160 6.529 -32.038 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.047 4.967 -33.567 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.501 4.000 -33.717 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -1.189 5.006 -31.298 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.006 2.239 -32.144 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.879 3.579 -29.336 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.279 0.803 -30.239 1.00 25.00 H new ATOM 0 HH TYR A 31 -0.120 0.509 -28.593 1.00 25.00 H new ATOM 489 N GLU A 32 3.903 4.719 -32.213 1.00 25.00 N ATOM 490 CA GLU A 32 5.003 4.208 -31.410 1.00 25.00 C ATOM 491 C GLU A 32 5.659 5.345 -30.639 1.00 25.00 C ATOM 492 O GLU A 32 5.893 5.210 -29.442 1.00 25.00 O ATOM 493 CB GLU A 32 6.006 3.474 -32.312 1.00 25.00 C ATOM 494 CG GLU A 32 6.538 4.282 -33.491 1.00 25.00 C ATOM 495 CD GLU A 32 7.401 3.467 -34.422 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.237 2.694 -33.950 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.263 3.642 -35.646 1.00 25.00 O ATOM 0 H GLU A 32 4.003 4.573 -33.217 1.00 25.00 H new ATOM 0 HA GLU A 32 4.625 3.493 -30.680 1.00 25.00 H new ATOM 0 HB2 GLU A 32 6.851 3.154 -31.702 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.530 2.572 -32.697 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.698 4.694 -34.050 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.116 5.126 -33.115 1.00 25.00 H new ATOM 504 N GLN A 33 5.941 6.465 -31.277 1.00 25.00 N ATOM 505 CA GLN A 33 6.630 7.578 -30.614 1.00 25.00 C ATOM 506 C GLN A 33 5.732 8.250 -29.591 1.00 25.00 C ATOM 507 O GLN A 33 6.187 8.630 -28.516 1.00 25.00 O ATOM 508 CB GLN A 33 7.088 8.620 -31.622 1.00 25.00 C ATOM 509 CG GLN A 33 8.132 8.113 -32.622 1.00 25.00 C ATOM 510 CD GLN A 33 9.446 7.808 -31.958 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.884 8.539 -31.097 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.088 6.751 -32.379 1.00 25.00 N ATOM 0 H GLN A 33 5.707 6.637 -32.255 1.00 25.00 H new ATOM 0 HA GLN A 33 7.499 7.155 -30.110 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.220 8.982 -32.173 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.502 9.472 -31.083 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.757 7.215 -33.114 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.284 8.862 -33.399 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.681 6.163 -33.107 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.996 6.513 -31.980 1.00 25.00 H new ATOM 521 N GLN A 34 4.434 8.320 -29.906 1.00 25.00 N ATOM 522 CA GLN A 34 3.432 8.853 -28.958 1.00 25.00 C ATOM 523 C GLN A 34 3.464 8.067 -27.658 1.00 25.00 C ATOM 524 O GLN A 34 3.376 8.629 -26.587 1.00 25.00 O ATOM 525 CB GLN A 34 2.011 8.787 -29.551 1.00 25.00 C ATOM 526 CG GLN A 34 1.715 9.893 -30.523 1.00 25.00 C ATOM 527 CD GLN A 34 0.357 9.729 -31.211 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.615 9.242 -30.630 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.296 10.103 -32.454 1.00 25.00 N ATOM 0 H GLN A 34 4.048 8.019 -30.801 1.00 25.00 H new ATOM 0 HA GLN A 34 3.685 9.896 -28.765 1.00 25.00 H new ATOM 0 HB2 GLN A 34 1.880 7.828 -30.053 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.285 8.824 -28.739 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.739 10.848 -29.998 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.499 9.926 -31.279 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.118 10.503 -32.907 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.574 9.997 -32.976 1.00 25.00 H new ATOM 538 N GLN A 35 3.660 6.761 -27.752 1.00 25.00 N ATOM 539 CA GLN A 35 3.701 5.943 -26.566 1.00 25.00 C ATOM 540 C GLN A 35 4.962 6.175 -25.764 1.00 25.00 C ATOM 541 O GLN A 35 4.923 6.237 -24.539 1.00 25.00 O ATOM 542 CB GLN A 35 3.600 4.469 -26.959 1.00 25.00 C ATOM 543 CG GLN A 35 2.195 4.059 -27.413 1.00 25.00 C ATOM 544 CD GLN A 35 1.162 4.262 -26.342 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.368 3.933 -25.179 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.043 4.842 -26.716 1.00 25.00 N ATOM 0 H GLN A 35 3.791 6.256 -28.629 1.00 25.00 H new ATOM 0 HA GLN A 35 2.855 6.221 -25.937 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.308 4.265 -27.762 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.895 3.852 -26.110 1.00 25.00 H new ATOM 0 HG2 GLN A 35 1.918 4.638 -28.294 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.204 3.010 -27.710 1.00 25.00 H new ATOM 0 HE21 GLN A 35 -0.095 5.102 -27.693 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.687 5.032 -26.030 1.00 25.00 H new ATOM 555 N ILE A 36 6.077 6.332 -26.463 1.00 25.00 N ATOM 556 CA ILE A 36 7.382 6.522 -25.823 1.00 25.00 C ATOM 557 C ILE A 36 7.331 7.838 -25.036 1.00 25.00 C ATOM 558 O ILE A 36 7.889 7.931 -23.949 1.00 25.00 O ATOM 559 CB ILE A 36 8.485 6.548 -26.902 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.547 5.167 -27.602 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.853 6.962 -26.328 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.294 5.167 -28.922 1.00 25.00 C ATOM 0 H ILE A 36 6.109 6.332 -27.482 1.00 25.00 H new ATOM 0 HA ILE A 36 7.611 5.704 -25.139 1.00 25.00 H new ATOM 0 HB ILE A 36 8.231 7.309 -27.640 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.023 4.453 -26.929 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.530 4.814 -27.774 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.596 6.965 -27.125 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.779 7.960 -25.896 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.153 6.254 -25.556 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.289 4.162 -29.343 1.00 25.00 H new ATOM 0 HD12 ILE A 36 8.808 5.853 -29.615 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.323 5.486 -28.758 1.00 25.00 H new ATOM 574 N LEU A 37 6.599 8.827 -25.546 1.00 25.00 N ATOM 575 CA LEU A 37 6.416 10.096 -24.844 1.00 25.00 C ATOM 576 C LEU A 37 5.522 9.980 -23.622 1.00 25.00 C ATOM 577 O LEU A 37 5.873 10.444 -22.548 1.00 25.00 O ATOM 578 CB LEU A 37 5.820 11.139 -25.779 1.00 25.00 C ATOM 579 CG LEU A 37 5.736 12.553 -25.198 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.091 13.081 -24.690 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.210 13.463 -26.294 1.00 25.00 C ATOM 0 H LEU A 37 6.122 8.773 -26.446 1.00 25.00 H new ATOM 0 HA LEU A 37 7.408 10.397 -24.508 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.416 11.171 -26.691 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.818 10.819 -26.065 1.00 25.00 H new ATOM 0 HG LEU A 37 5.075 12.532 -24.331 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.963 14.087 -24.291 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.466 12.424 -23.905 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.804 13.106 -25.514 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.136 14.483 -25.916 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.891 13.440 -27.145 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.224 13.121 -26.609 1.00 25.00 H new ATOM 593 N ILE A 38 4.389 9.316 -23.789 1.00 25.00 N ATOM 594 CA ILE A 38 3.447 9.098 -22.701 1.00 25.00 C ATOM 595 C ILE A 38 4.149 8.376 -21.553 1.00 25.00 C ATOM 596 O ILE A 38 4.009 8.766 -20.393 1.00 25.00 O ATOM 597 CB ILE A 38 2.230 8.289 -23.185 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.391 9.141 -24.157 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.343 7.868 -22.016 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.547 8.305 -25.112 1.00 25.00 C ATOM 0 H ILE A 38 4.097 8.914 -24.680 1.00 25.00 H new ATOM 0 HA ILE A 38 3.087 10.064 -22.348 1.00 25.00 H new ATOM 0 HB ILE A 38 2.603 7.395 -23.685 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.737 9.797 -23.583 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.056 9.782 -24.736 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.493 7.299 -22.391 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.918 7.250 -21.327 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.984 8.755 -21.494 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.020 8.965 -25.769 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.198 7.668 -25.711 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.142 7.684 -24.540 1.00 25.00 H new ATOM 612 N ARG A 39 4.976 7.389 -21.874 1.00 25.00 N ATOM 613 CA ARG A 39 5.736 6.643 -20.868 1.00 25.00 C ATOM 614 C ARG A 39 6.661 7.555 -20.051 1.00 25.00 C ATOM 615 O ARG A 39 6.701 7.446 -18.847 1.00 25.00 O ATOM 616 CB ARG A 39 6.544 5.558 -21.580 1.00 25.00 C ATOM 617 CG ARG A 39 7.332 4.607 -20.660 1.00 25.00 C ATOM 618 CD ARG A 39 7.952 3.473 -21.503 1.00 25.00 C ATOM 619 NE ARG A 39 8.988 4.002 -22.409 1.00 25.00 N ATOM 620 CZ ARG A 39 9.556 3.310 -23.389 1.00 25.00 C ATOM 621 NH1 ARG A 39 9.210 2.061 -23.653 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.474 3.877 -24.130 1.00 25.00 N ATOM 0 H ARG A 39 5.141 7.081 -22.832 1.00 25.00 H new ATOM 0 HA ARG A 39 5.038 6.194 -20.161 1.00 25.00 H new ATOM 0 HB2 ARG A 39 5.863 4.964 -22.190 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.245 6.040 -22.262 1.00 25.00 H new ATOM 0 HG2 ARG A 39 8.115 5.156 -20.137 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.672 4.190 -19.899 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.387 2.721 -20.845 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.174 2.977 -22.083 1.00 25.00 H new ATOM 0 HE ARG A 39 9.289 4.967 -22.273 1.00 25.00 H new ATOM 0 HH11 ARG A 39 8.488 1.603 -23.097 1.00 25.00 H new ATOM 0 HH12 ARG A 39 9.665 1.556 -24.413 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.748 4.843 -23.952 1.00 25.00 H new ATOM 0 HH22 ARG A 39 10.916 3.352 -24.885 1.00 25.00 H new ATOM 636 N GLN A 40 7.337 8.477 -20.722 1.00 25.00 N ATOM 637 CA GLN A 40 8.181 9.441 -20.041 1.00 25.00 C ATOM 638 C GLN A 40 7.372 10.339 -19.093 1.00 25.00 C ATOM 639 O GLN A 40 7.787 10.598 -17.975 1.00 25.00 O ATOM 640 CB GLN A 40 8.920 10.322 -21.056 1.00 25.00 C ATOM 641 CG GLN A 40 10.000 9.577 -21.869 1.00 25.00 C ATOM 642 CD GLN A 40 10.546 10.435 -23.004 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.494 11.203 -22.824 1.00 25.00 O ATOM 644 NE2 GLN A 40 9.963 10.314 -24.166 1.00 25.00 N ATOM 0 H GLN A 40 7.316 8.576 -21.737 1.00 25.00 H new ATOM 0 HA GLN A 40 8.900 8.873 -19.451 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.193 10.751 -21.746 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.387 11.153 -20.527 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.816 9.286 -21.208 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.578 8.659 -22.278 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.181 9.669 -24.280 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.289 10.865 -24.960 1.00 25.00 H new ATOM 653 N LEU A 41 6.208 10.802 -19.526 1.00 25.00 N ATOM 654 CA LEU A 41 5.370 11.646 -18.685 1.00 25.00 C ATOM 655 C LEU A 41 4.876 10.892 -17.450 1.00 25.00 C ATOM 656 O LEU A 41 4.807 11.449 -16.358 1.00 25.00 O ATOM 657 CB LEU A 41 4.158 12.170 -19.468 1.00 25.00 C ATOM 658 CG LEU A 41 4.340 12.931 -20.791 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.971 13.265 -21.348 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.188 14.184 -20.616 1.00 25.00 C ATOM 0 H LEU A 41 5.823 10.609 -20.451 1.00 25.00 H new ATOM 0 HA LEU A 41 5.987 12.485 -18.364 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.518 11.313 -19.678 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.603 12.825 -18.797 1.00 25.00 H new ATOM 0 HG LEU A 41 4.879 12.297 -21.495 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.083 13.806 -22.288 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.415 12.344 -21.523 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.429 13.886 -20.634 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.291 14.691 -21.576 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.706 14.853 -19.902 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.175 13.907 -20.245 1.00 25.00 H new ATOM 672 N GLN A 42 4.538 9.627 -17.614 1.00 25.00 N ATOM 673 CA GLN A 42 4.021 8.823 -16.522 1.00 25.00 C ATOM 674 C GLN A 42 5.104 8.516 -15.500 1.00 25.00 C ATOM 675 O GLN A 42 4.857 8.549 -14.293 1.00 25.00 O ATOM 676 CB GLN A 42 3.459 7.519 -17.126 1.00 25.00 C ATOM 677 CG GLN A 42 2.151 7.748 -17.891 1.00 25.00 C ATOM 678 CD GLN A 42 1.783 6.577 -18.794 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.628 5.825 -19.287 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.503 6.438 -19.044 1.00 25.00 N ATOM 0 H GLN A 42 4.613 9.130 -18.502 1.00 25.00 H new ATOM 0 HA GLN A 42 3.238 9.371 -15.998 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.199 7.084 -17.798 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.289 6.796 -16.328 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.344 7.919 -17.179 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.241 8.652 -18.494 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.171 7.076 -18.621 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.182 5.692 -19.661 1.00 25.00 H new ATOM 689 N GLU A 43 6.312 8.288 -15.997 1.00 25.00 N ATOM 690 CA GLU A 43 7.450 8.069 -15.119 1.00 25.00 C ATOM 691 C GLU A 43 7.752 9.364 -14.338 1.00 25.00 C ATOM 692 O GLU A 43 8.011 9.327 -13.132 1.00 25.00 O ATOM 693 CB GLU A 43 8.659 7.628 -15.944 1.00 25.00 C ATOM 694 CG GLU A 43 8.532 6.180 -16.443 1.00 25.00 C ATOM 695 CD GLU A 43 9.622 5.760 -17.458 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.470 6.587 -17.837 1.00 25.00 O ATOM 697 OE2 GLU A 43 9.559 4.592 -17.898 1.00 25.00 O ATOM 0 H GLU A 43 6.527 8.250 -16.993 1.00 25.00 H new ATOM 0 HA GLU A 43 7.221 7.280 -14.403 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.775 8.295 -16.798 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.562 7.723 -15.340 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.571 5.508 -15.586 1.00 25.00 H new ATOM 0 HG3 GLU A 43 7.553 6.051 -16.904 1.00 25.00 H new ATOM 704 N GLN A 44 7.606 10.511 -14.990 1.00 25.00 N ATOM 705 CA GLN A 44 7.791 11.797 -14.330 1.00 25.00 C ATOM 706 C GLN A 44 6.706 12.008 -13.275 1.00 25.00 C ATOM 707 O GLN A 44 6.998 12.405 -12.134 1.00 25.00 O ATOM 708 CB GLN A 44 7.721 12.923 -15.377 1.00 25.00 C ATOM 709 CG GLN A 44 8.100 14.304 -14.876 1.00 25.00 C ATOM 710 CD GLN A 44 7.930 15.352 -15.936 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.051 15.256 -16.788 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.787 16.354 -15.939 1.00 25.00 N ATOM 0 H GLN A 44 7.359 10.577 -15.978 1.00 25.00 H new ATOM 0 HA GLN A 44 8.765 11.811 -13.841 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.377 12.664 -16.208 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.706 12.965 -15.773 1.00 25.00 H new ATOM 0 HG2 GLN A 44 7.485 14.558 -14.013 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.136 14.295 -14.537 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.508 16.411 -15.220 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.729 17.073 -16.661 1.00 25.00 H new ATOM 721 N HIS A 45 5.457 11.710 -13.628 1.00 25.00 N ATOM 722 CA HIS A 45 4.323 11.890 -12.725 1.00 25.00 C ATOM 723 C HIS A 45 4.436 10.986 -11.502 1.00 25.00 C ATOM 724 O HIS A 45 3.918 11.318 -10.444 1.00 25.00 O ATOM 725 CB HIS A 45 3.015 11.591 -13.450 1.00 25.00 C ATOM 726 CG HIS A 45 1.806 11.969 -12.672 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.399 13.261 -12.462 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.898 11.198 -12.008 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.315 13.241 -11.699 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.046 12.008 -11.399 1.00 25.00 N ATOM 0 H HIS A 45 5.204 11.339 -14.544 1.00 25.00 H new ATOM 0 HA HIS A 45 4.331 12.928 -12.393 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.006 12.123 -14.401 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.971 10.526 -13.680 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.913 10.119 -11.964 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.208 14.125 -11.364 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.847 11.715 -10.840 1.00 25.00 H new ATOM 738 N TYR A 46 5.158 9.878 -11.616 1.00 25.00 N ATOM 739 CA TYR A 46 5.391 8.971 -10.470 1.00 25.00 C ATOM 740 C TYR A 46 6.085 9.702 -9.341 1.00 25.00 C ATOM 741 O TYR A 46 5.759 9.466 -8.178 1.00 25.00 O ATOM 742 CB TYR A 46 6.244 7.769 -10.894 1.00 25.00 C ATOM 743 CG TYR A 46 6.161 6.625 -9.909 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.132 5.688 -10.006 1.00 25.00 C ATOM 745 CD2 TYR A 46 7.120 6.464 -8.889 1.00 25.00 C ATOM 746 CE1 TYR A 46 5.022 4.633 -9.078 1.00 25.00 C ATOM 747 CE2 TYR A 46 7.017 5.395 -7.964 1.00 25.00 C ATOM 748 CZ TYR A 46 5.954 4.495 -8.064 1.00 25.00 C ATOM 749 OH TYR A 46 5.799 3.473 -7.178 1.00 25.00 O ATOM 0 H TYR A 46 5.597 9.575 -12.485 1.00 25.00 H new ATOM 0 HA TYR A 46 4.420 8.617 -10.125 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.918 7.424 -11.875 1.00 25.00 H new ATOM 0 HB3 TYR A 46 7.283 8.082 -10.995 1.00 25.00 H new ATOM 0 HD1 TYR A 46 4.409 5.772 -10.804 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.941 7.162 -8.811 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.207 3.929 -9.158 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.757 5.277 -7.186 1.00 25.00 H new ATOM 0 HH TYR A 46 5.369 2.715 -7.625 1.00 25.00 H new ATOM 759 N GLN A 47 6.975 10.624 -9.663 1.00 25.00 N ATOM 760 CA GLN A 47 7.650 11.401 -8.641 1.00 25.00 C ATOM 761 C GLN A 47 6.641 12.258 -7.841 1.00 25.00 C ATOM 762 O GLN A 47 6.673 12.317 -6.602 1.00 25.00 O ATOM 763 CB GLN A 47 8.711 12.304 -9.260 1.00 25.00 C ATOM 764 CG GLN A 47 9.755 11.539 -10.081 1.00 25.00 C ATOM 765 CD GLN A 47 10.806 12.456 -10.675 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.657 13.660 -10.650 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.838 11.879 -11.236 1.00 25.00 N ATOM 0 H GLN A 47 7.246 10.852 -10.620 1.00 25.00 H new ATOM 0 HA GLN A 47 8.134 10.701 -7.960 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.224 13.040 -9.900 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.216 12.856 -8.467 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.240 10.797 -9.447 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.256 10.995 -10.883 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.919 10.862 -11.231 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.562 12.446 -11.678 1.00 25.00 H new ATOM 776 N GLN A 48 5.749 12.922 -8.566 1.00 25.00 N ATOM 777 CA GLN A 48 4.750 13.802 -7.962 1.00 25.00 C ATOM 778 C GLN A 48 3.716 12.984 -7.175 1.00 25.00 C ATOM 779 O GLN A 48 3.320 13.352 -6.074 1.00 25.00 O ATOM 780 CB GLN A 48 4.028 14.590 -9.054 1.00 25.00 C ATOM 781 CG GLN A 48 3.134 15.732 -8.522 1.00 25.00 C ATOM 782 CD GLN A 48 2.369 16.409 -9.629 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.868 16.562 -10.732 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.133 16.797 -9.361 1.00 25.00 N ATOM 0 H GLN A 48 5.696 12.868 -9.583 1.00 25.00 H new ATOM 0 HA GLN A 48 5.260 14.485 -7.283 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.769 15.010 -9.734 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.414 13.903 -9.637 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.434 15.333 -7.788 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.752 16.467 -8.006 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.745 16.655 -8.429 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.568 17.238 -10.087 1.00 25.00 H new ATOM 793 N TYR A 49 3.295 11.862 -7.745 1.00 25.00 N ATOM 794 CA TYR A 49 2.303 10.992 -7.132 1.00 25.00 C ATOM 795 C TYR A 49 2.811 10.457 -5.800 1.00 25.00 C ATOM 796 O TYR A 49 2.056 10.313 -4.850 1.00 25.00 O ATOM 797 CB TYR A 49 1.945 9.840 -8.066 1.00 25.00 C ATOM 798 CG TYR A 49 0.723 9.074 -7.615 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.572 9.546 -7.911 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.854 7.870 -6.913 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.721 8.819 -7.501 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.288 7.136 -6.499 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.566 7.624 -6.800 1.00 25.00 C ATOM 804 OH TYR A 49 -2.692 6.932 -6.396 1.00 25.00 O ATOM 0 H TYR A 49 3.634 11.530 -8.648 1.00 25.00 H new ATOM 0 HA TYR A 49 1.403 11.578 -6.949 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.772 10.232 -9.068 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.792 9.157 -8.133 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.692 10.471 -8.456 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.840 7.494 -6.683 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.709 9.190 -7.731 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.173 6.209 -5.957 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.423 6.119 -5.920 1.00 25.00 H new ATOM 814 N MET A 50 4.110 10.192 -5.723 1.00 25.00 N ATOM 815 CA MET A 50 4.692 9.725 -4.464 1.00 25.00 C ATOM 816 C MET A 50 4.667 10.789 -3.396 1.00 25.00 C ATOM 817 O MET A 50 4.338 10.527 -2.235 1.00 25.00 O ATOM 818 CB MET A 50 6.129 9.242 -4.709 1.00 25.00 C ATOM 819 CG MET A 50 6.592 8.138 -3.728 1.00 25.00 C ATOM 820 SD MET A 50 6.617 6.502 -4.507 1.00 25.00 S ATOM 821 CE MET A 50 4.891 6.245 -4.934 1.00 25.00 C ATOM 0 H MET A 50 4.769 10.288 -6.495 1.00 25.00 H new ATOM 0 HA MET A 50 4.084 8.897 -4.101 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.207 8.865 -5.729 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.807 10.092 -4.631 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.588 8.378 -3.357 1.00 25.00 H new ATOM 0 HG3 MET A 50 5.927 8.118 -2.865 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.774 5.268 -5.402 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.282 6.290 -4.031 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.568 7.021 -5.628 1.00 25.00 H new ATOM 831 N GLN A 51 4.996 12.012 -3.774 1.00 25.00 N ATOM 832 CA GLN A 51 4.966 13.136 -2.828 1.00 25.00 C ATOM 833 C GLN A 51 3.529 13.422 -2.392 1.00 25.00 C ATOM 834 O GLN A 51 3.300 13.716 -1.232 1.00 25.00 O ATOM 835 CB GLN A 51 5.559 14.386 -3.457 1.00 25.00 C ATOM 836 CG GLN A 51 7.040 14.308 -3.770 1.00 25.00 C ATOM 837 CD GLN A 51 7.524 15.456 -4.625 1.00 25.00 C ATOM 838 OE1 GLN A 51 7.390 16.596 -4.257 1.00 25.00 O ATOM 839 NE2 GLN A 51 8.062 15.151 -5.777 1.00 25.00 N ATOM 0 H GLN A 51 5.286 12.261 -4.720 1.00 25.00 H new ATOM 0 HA GLN A 51 5.562 12.860 -1.958 1.00 25.00 H new ATOM 0 HB2 GLN A 51 5.019 14.601 -4.379 1.00 25.00 H new ATOM 0 HB3 GLN A 51 5.389 15.227 -2.785 1.00 25.00 H new ATOM 0 HG2 GLN A 51 7.603 14.295 -2.837 1.00 25.00 H new ATOM 0 HG3 GLN A 51 7.249 13.368 -4.281 1.00 25.00 H new ATOM 0 HE21 GLN A 51 8.158 14.174 -6.052 1.00 25.00 H new ATOM 0 HE22 GLN A 51 8.386 15.891 -6.400 1.00 25.00 H new ATOM 848 N GLN A 52 2.579 13.269 -3.305 1.00 25.00 N ATOM 849 CA GLN A 52 1.171 13.459 -2.983 1.00 25.00 C ATOM 850 C GLN A 52 0.716 12.406 -1.992 1.00 25.00 C ATOM 851 O GLN A 52 -0.009 12.727 -1.050 1.00 25.00 O ATOM 852 CB GLN A 52 0.328 13.377 -4.257 1.00 25.00 C ATOM 853 CG GLN A 52 -1.135 13.760 -4.055 1.00 25.00 C ATOM 854 CD GLN A 52 -1.288 15.220 -3.632 1.00 25.00 C ATOM 855 OE1 GLN A 52 -0.891 16.132 -4.342 1.00 25.00 O ATOM 856 NE2 GLN A 52 -1.864 15.439 -2.460 1.00 25.00 N ATOM 0 H GLN A 52 2.758 13.013 -4.276 1.00 25.00 H new ATOM 0 HA GLN A 52 1.042 14.444 -2.535 1.00 25.00 H new ATOM 0 HB2 GLN A 52 0.764 14.031 -5.012 1.00 25.00 H new ATOM 0 HB3 GLN A 52 0.377 12.361 -4.649 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -1.686 13.590 -4.980 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -1.578 13.114 -3.297 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -2.183 14.653 -1.894 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -1.988 16.394 -2.123 1.00 25.00 H new ATOM 865 N LEU A 53 1.157 11.178 -2.125 1.00 25.00 N ATOM 866 CA LEU A 53 0.800 10.125 -1.177 1.00 25.00 C ATOM 867 C LEU A 53 1.395 10.339 0.208 1.00 25.00 C ATOM 868 O LEU A 53 0.802 9.945 1.211 1.00 25.00 O ATOM 869 CB LEU A 53 1.268 8.763 -1.681 1.00 25.00 C ATOM 870 CG LEU A 53 0.331 8.037 -2.657 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.058 6.811 -3.231 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.957 7.621 -1.961 1.00 25.00 C ATOM 0 H LEU A 53 1.768 10.872 -2.882 1.00 25.00 H new ATOM 0 HA LEU A 53 -0.286 10.161 -1.097 1.00 25.00 H new ATOM 0 HB2 LEU A 53 2.235 8.893 -2.168 1.00 25.00 H new ATOM 0 HB3 LEU A 53 1.430 8.117 -0.818 1.00 25.00 H new ATOM 0 HG LEU A 53 0.063 8.713 -3.469 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.399 6.289 -3.925 1.00 25.00 H new ATOM 0 HD12 LEU A 53 1.957 7.134 -3.756 1.00 25.00 H new ATOM 0 HD13 LEU A 53 1.334 6.139 -2.419 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -1.605 7.109 -2.672 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -0.723 6.950 -1.134 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -1.466 8.506 -1.578 1.00 25.00 H new ATOM 884 N TYR A 54 2.523 11.032 0.264 1.00 25.00 N ATOM 885 CA TYR A 54 3.117 11.373 1.555 1.00 25.00 C ATOM 886 C TYR A 54 2.221 12.365 2.265 1.00 25.00 C ATOM 887 O TYR A 54 1.978 12.206 3.460 1.00 25.00 O ATOM 888 CB TYR A 54 4.519 11.959 1.349 1.00 25.00 C ATOM 889 CG TYR A 54 4.916 13.016 2.384 1.00 25.00 C ATOM 890 CD1 TYR A 54 5.333 12.653 3.683 1.00 25.00 C ATOM 891 CD2 TYR A 54 4.873 14.383 2.054 1.00 25.00 C ATOM 892 CE1 TYR A 54 5.663 13.648 4.651 1.00 25.00 C ATOM 893 CE2 TYR A 54 5.215 15.381 3.015 1.00 25.00 C ATOM 894 CZ TYR A 54 5.614 14.990 4.285 1.00 25.00 C ATOM 895 OH TYR A 54 5.967 15.935 5.214 1.00 25.00 O ATOM 0 H TYR A 54 3.039 11.365 -0.550 1.00 25.00 H new ATOM 0 HA TYR A 54 3.211 10.476 2.167 1.00 25.00 H new ATOM 0 HB2 TYR A 54 5.247 11.148 1.377 1.00 25.00 H new ATOM 0 HB3 TYR A 54 4.573 12.402 0.355 1.00 25.00 H new ATOM 0 HD1 TYR A 54 5.403 11.608 3.948 1.00 25.00 H new ATOM 0 HD2 TYR A 54 4.577 14.681 1.059 1.00 25.00 H new ATOM 0 HE1 TYR A 54 5.947 13.364 5.654 1.00 25.00 H new ATOM 0 HE2 TYR A 54 5.164 16.428 2.757 1.00 25.00 H new ATOM 0 HH TYR A 54 5.886 16.828 4.819 1.00 25.00 H new ATOM 905 N GLN A 55 1.658 13.331 1.525 1.00 25.00 N ATOM 906 CA GLN A 55 0.753 14.305 2.144 1.00 25.00 C ATOM 907 C GLN A 55 -0.556 13.630 2.526 1.00 25.00 C ATOM 908 O GLN A 55 -1.136 13.931 3.563 1.00 25.00 O ATOM 909 CB GLN A 55 0.453 15.470 1.209 1.00 25.00 C ATOM 910 CG GLN A 55 1.698 16.228 0.802 1.00 25.00 C ATOM 911 CD GLN A 55 1.424 17.427 -0.063 1.00 25.00 C ATOM 912 OE1 GLN A 55 0.634 17.382 -0.974 1.00 25.00 O ATOM 913 NE2 GLN A 55 2.072 18.534 0.245 1.00 25.00 N ATOM 0 H GLN A 55 1.808 13.457 0.524 1.00 25.00 H new ATOM 0 HA GLN A 55 1.251 14.693 3.032 1.00 25.00 H new ATOM 0 HB2 GLN A 55 -0.047 15.094 0.316 1.00 25.00 H new ATOM 0 HB3 GLN A 55 -0.240 16.154 1.698 1.00 25.00 H new ATOM 0 HG2 GLN A 55 2.224 16.552 1.700 1.00 25.00 H new ATOM 0 HG3 GLN A 55 2.365 15.552 0.268 1.00 25.00 H new ATOM 0 HE21 GLN A 55 2.733 18.539 1.021 1.00 25.00 H new ATOM 0 HE22 GLN A 55 1.912 19.385 -0.293 1.00 25.00 H new ATOM 922 N VAL A 56 -0.997 12.704 1.697 1.00 25.00 N ATOM 923 CA VAL A 56 -2.207 11.908 1.988 1.00 25.00 C ATOM 924 C VAL A 56 -2.003 11.019 3.220 1.00 25.00 C ATOM 925 O VAL A 56 -2.930 10.856 4.000 1.00 25.00 O ATOM 926 CB VAL A 56 -2.622 11.032 0.746 1.00 25.00 C ATOM 927 CG1 VAL A 56 -3.789 10.105 1.067 1.00 25.00 C ATOM 928 CG2 VAL A 56 -3.030 11.946 -0.424 1.00 25.00 C ATOM 0 H VAL A 56 -0.546 12.473 0.812 1.00 25.00 H new ATOM 0 HA VAL A 56 -3.015 12.608 2.201 1.00 25.00 H new ATOM 0 HB VAL A 56 -1.759 10.423 0.477 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -4.042 9.520 0.183 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -3.508 9.434 1.879 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -4.652 10.698 1.369 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -3.316 11.335 -1.280 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -3.874 12.567 -0.123 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -2.189 12.584 -0.698 1.00 25.00 H new ATOM 938 N GLN A 57 -0.818 10.465 3.420 1.00 25.00 N ATOM 939 CA GLN A 57 -0.557 9.674 4.606 1.00 25.00 C ATOM 940 C GLN A 57 -0.718 10.519 5.855 1.00 25.00 C ATOM 941 O GLN A 57 -1.320 10.097 6.840 1.00 25.00 O ATOM 942 CB GLN A 57 0.867 9.107 4.586 1.00 25.00 C ATOM 943 CG GLN A 57 0.972 7.762 3.871 1.00 25.00 C ATOM 944 CD GLN A 57 1.827 6.762 4.605 1.00 25.00 C ATOM 945 OE1 GLN A 57 2.948 7.034 4.965 1.00 25.00 O ATOM 946 NE2 GLN A 57 1.314 5.567 4.782 1.00 25.00 N ATOM 0 H GLN A 57 -0.028 10.549 2.780 1.00 25.00 H new ATOM 0 HA GLN A 57 -1.276 8.854 4.615 1.00 25.00 H new ATOM 0 HB2 GLN A 57 1.529 9.823 4.098 1.00 25.00 H new ATOM 0 HB3 GLN A 57 1.220 8.994 5.611 1.00 25.00 H new ATOM 0 HG2 GLN A 57 -0.028 7.348 3.741 1.00 25.00 H new ATOM 0 HG3 GLN A 57 1.384 7.919 2.874 1.00 25.00 H new ATOM 0 HE21 GLN A 57 0.364 5.368 4.467 1.00 25.00 H new ATOM 0 HE22 GLN A 57 1.865 4.837 5.234 1.00 25.00 H new ATOM 955 N LEU A 58 -0.204 11.743 5.787 1.00 25.00 N ATOM 956 CA LEU A 58 -0.293 12.678 6.905 1.00 25.00 C ATOM 957 C LEU A 58 -1.742 13.079 7.147 1.00 25.00 C ATOM 958 O LEU A 58 -2.161 13.254 8.287 1.00 25.00 O ATOM 959 CB LEU A 58 0.546 13.924 6.594 1.00 25.00 C ATOM 960 CG LEU A 58 2.078 13.791 6.625 1.00 25.00 C ATOM 961 CD1 LEU A 58 2.694 15.159 6.347 1.00 25.00 C ATOM 962 CD2 LEU A 58 2.601 13.247 7.951 1.00 25.00 C ATOM 0 H LEU A 58 0.280 12.112 4.968 1.00 25.00 H new ATOM 0 HA LEU A 58 0.089 12.195 7.804 1.00 25.00 H new ATOM 0 HB2 LEU A 58 0.262 14.279 5.603 1.00 25.00 H new ATOM 0 HB3 LEU A 58 0.264 14.702 7.304 1.00 25.00 H new ATOM 0 HG LEU A 58 2.365 13.071 5.859 1.00 25.00 H new ATOM 0 HD11 LEU A 58 3.781 15.079 6.366 1.00 25.00 H new ATOM 0 HD12 LEU A 58 2.373 15.510 5.366 1.00 25.00 H new ATOM 0 HD13 LEU A 58 2.369 15.866 7.110 1.00 25.00 H new ATOM 0 HD21 LEU A 58 3.688 13.176 7.912 1.00 25.00 H new ATOM 0 HD22 LEU A 58 2.310 13.918 8.759 1.00 25.00 H new ATOM 0 HD23 LEU A 58 2.179 12.258 8.130 1.00 25.00 H new ATOM 974 N ALA A 59 -2.501 13.180 6.080 1.00 25.00 N ATOM 975 CA ALA A 59 -3.931 13.486 6.201 1.00 25.00 C ATOM 976 C ALA A 59 -4.663 12.337 6.895 1.00 25.00 C ATOM 977 O ALA A 59 -5.531 12.579 7.732 1.00 25.00 O ATOM 978 CB ALA A 59 -4.533 13.732 4.804 1.00 25.00 C ATOM 0 H ALA A 59 -2.169 13.059 5.123 1.00 25.00 H new ATOM 0 HA ALA A 59 -4.049 14.387 6.803 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -5.595 13.959 4.900 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -4.024 14.572 4.331 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -4.407 12.840 4.191 1.00 25.00 H new ATOM 984 N GLN A 60 -4.281 11.096 6.605 1.00 25.00 N ATOM 985 CA GLN A 60 -4.905 9.956 7.277 1.00 25.00 C ATOM 986 C GLN A 60 -4.546 9.922 8.780 1.00 25.00 C ATOM 987 O GLN A 60 -5.378 9.575 9.607 1.00 25.00 O ATOM 988 CB GLN A 60 -4.532 8.625 6.605 1.00 25.00 C ATOM 989 CG GLN A 60 -4.949 8.591 5.123 1.00 25.00 C ATOM 990 CD GLN A 60 -5.588 7.289 4.719 1.00 25.00 C ATOM 991 OE1 GLN A 60 -6.590 6.884 5.277 1.00 25.00 O ATOM 992 NE2 GLN A 60 -4.994 6.597 3.772 1.00 25.00 N ATOM 0 H GLN A 60 -3.559 10.855 5.926 1.00 25.00 H new ATOM 0 HA GLN A 60 -5.983 10.086 7.186 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -3.456 8.469 6.683 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -5.013 7.803 7.136 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -5.646 9.406 4.929 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -4.072 8.767 4.501 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -4.155 6.963 3.323 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -5.372 5.694 3.487 1.00 25.00 H new ATOM 1001 N GLN A 61 -3.346 10.383 9.115 1.00 25.00 N ATOM 1002 CA GLN A 61 -2.934 10.512 10.507 1.00 25.00 C ATOM 1003 C GLN A 61 -3.762 11.607 11.207 1.00 25.00 C ATOM 1004 O GLN A 61 -4.208 11.420 12.320 1.00 25.00 O ATOM 1005 CB GLN A 61 -1.455 10.878 10.627 1.00 25.00 C ATOM 1006 CG GLN A 61 -0.478 9.862 10.050 1.00 25.00 C ATOM 1007 CD GLN A 61 -0.119 8.755 11.029 1.00 25.00 C ATOM 1008 OE1 GLN A 61 -0.816 7.790 11.170 1.00 25.00 O ATOM 1009 NE2 GLN A 61 1.014 8.909 11.674 1.00 25.00 N ATOM 0 H GLN A 61 -2.640 10.674 8.439 1.00 25.00 H new ATOM 0 HA GLN A 61 -3.100 9.545 10.981 1.00 25.00 H new ATOM 0 HB2 GLN A 61 -1.294 11.834 10.129 1.00 25.00 H new ATOM 0 HB3 GLN A 61 -1.219 11.024 11.681 1.00 25.00 H new ATOM 0 HG2 GLN A 61 -0.911 9.419 9.153 1.00 25.00 H new ATOM 0 HG3 GLN A 61 0.433 10.377 9.743 1.00 25.00 H new ATOM 0 HE21 GLN A 61 1.577 9.747 11.524 1.00 25.00 H new ATOM 0 HE22 GLN A 61 1.332 8.191 12.325 1.00 25.00 H new ATOM 1018 N GLN A 62 -3.973 12.745 10.566 1.00 25.00 N ATOM 1019 CA GLN A 62 -4.746 13.838 11.172 1.00 25.00 C ATOM 1020 C GLN A 62 -6.236 13.481 11.270 1.00 25.00 C ATOM 1021 O GLN A 62 -6.934 13.879 12.216 1.00 25.00 O ATOM 1022 CB GLN A 62 -4.564 15.128 10.376 1.00 25.00 C ATOM 1023 CG GLN A 62 -3.147 15.632 10.513 1.00 25.00 C ATOM 1024 CD GLN A 62 -2.996 17.109 10.186 1.00 25.00 C ATOM 1025 OE1 GLN A 62 -3.738 17.644 9.403 1.00 25.00 O ATOM 1026 NE2 GLN A 62 -2.016 17.770 10.792 1.00 25.00 N ATOM 0 H GLN A 62 -3.624 12.944 9.628 1.00 25.00 H new ATOM 0 HA GLN A 62 -4.368 13.991 12.183 1.00 25.00 H new ATOM 0 HB2 GLN A 62 -4.794 14.951 9.325 1.00 25.00 H new ATOM 0 HB3 GLN A 62 -5.263 15.885 10.732 1.00 25.00 H new ATOM 0 HG2 GLN A 62 -2.804 15.457 11.533 1.00 25.00 H new ATOM 0 HG3 GLN A 62 -2.499 15.054 9.855 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -1.405 17.286 11.450 1.00 25.00 H new ATOM 0 HE22 GLN A 62 -1.874 18.762 10.599 1.00 25.00 H new ATOM 1035 N ALA A 63 -6.688 12.684 10.327 1.00 25.00 N ATOM 1036 CA ALA A 63 -8.046 12.188 10.322 1.00 25.00 C ATOM 1037 C ALA A 63 -8.280 11.318 11.561 1.00 25.00 C ATOM 1038 O ALA A 63 -9.392 11.293 12.088 1.00 25.00 O ATOM 1039 CB ALA A 63 -8.304 11.376 9.055 1.00 25.00 C ATOM 0 H ALA A 63 -6.123 12.361 9.541 1.00 25.00 H new ATOM 0 HA ALA A 63 -8.735 13.032 10.342 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -9.330 11.007 9.062 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -8.151 12.008 8.180 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -7.615 10.532 9.017 1.00 25.00 H new ATOM 1045 N ALA A 64 -7.254 10.600 12.015 1.00 25.00 N ATOM 1046 CA ALA A 64 -7.389 9.781 13.241 1.00 25.00 C ATOM 1047 C ALA A 64 -7.162 10.608 14.526 1.00 25.00 C ATOM 1048 O ALA A 64 -7.743 10.317 15.588 1.00 25.00 O ATOM 1049 CB ALA A 64 -6.383 8.619 13.178 1.00 25.00 C ATOM 0 H ALA A 64 -6.336 10.561 11.572 1.00 25.00 H new ATOM 0 HA ALA A 64 -8.409 9.400 13.284 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -6.474 8.009 14.077 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -6.590 8.006 12.301 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -5.371 9.017 13.111 1.00 25.00 H new ATOM 1055 N LEU A 65 -6.318 11.619 14.426 1.00 25.00 N ATOM 1056 CA LEU A 65 -5.934 12.460 15.566 1.00 25.00 C ATOM 1057 C LEU A 65 -6.973 13.495 15.936 1.00 25.00 C ATOM 1058 O LEU A 65 -7.164 13.772 17.116 1.00 25.00 O ATOM 1059 CB LEU A 65 -4.650 13.242 15.216 1.00 25.00 C ATOM 1060 CG LEU A 65 -3.353 12.439 15.305 1.00 25.00 C ATOM 1061 CD1 LEU A 65 -2.210 13.224 14.632 1.00 25.00 C ATOM 1062 CD2 LEU A 65 -2.995 12.188 16.766 1.00 25.00 C ATOM 0 H LEU A 65 -5.872 11.889 13.549 1.00 25.00 H new ATOM 0 HA LEU A 65 -5.805 11.777 16.405 1.00 25.00 H new ATOM 0 HB2 LEU A 65 -4.747 13.633 14.203 1.00 25.00 H new ATOM 0 HB3 LEU A 65 -4.573 14.100 15.884 1.00 25.00 H new ATOM 0 HG LEU A 65 -3.493 11.485 14.797 1.00 25.00 H new ATOM 0 HD11 LEU A 65 -1.286 12.649 14.697 1.00 25.00 H new ATOM 0 HD12 LEU A 65 -2.456 13.398 13.585 1.00 25.00 H new ATOM 0 HD13 LEU A 65 -2.078 14.180 15.138 1.00 25.00 H new ATOM 0 HD21 LEU A 65 -2.069 11.615 16.821 1.00 25.00 H new ATOM 0 HD22 LEU A 65 -2.862 13.142 17.277 1.00 25.00 H new ATOM 0 HD23 LEU A 65 -3.797 11.628 17.246 1.00 25.00 H new ATOM 1074 N GLN A 66 -7.581 14.102 14.917 1.00 25.00 N ATOM 1075 CA GLN A 66 -8.644 15.102 15.054 1.00 25.00 C ATOM 1076 C GLN A 66 -8.238 16.196 16.053 1.00 25.00 C ATOM 1077 O GLN A 66 -9.034 16.682 16.850 1.00 25.00 O ATOM 1078 CB GLN A 66 -9.968 14.405 15.395 1.00 25.00 C ATOM 1079 CG GLN A 66 -10.405 13.516 14.245 1.00 25.00 C ATOM 1080 CD GLN A 66 -11.695 12.759 14.510 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -12.513 13.148 15.312 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -11.873 11.660 13.817 1.00 25.00 N ATOM 0 H GLN A 66 -7.342 13.907 13.945 1.00 25.00 H new ATOM 0 HA GLN A 66 -8.798 15.618 14.106 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -9.851 13.809 16.300 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -10.737 15.150 15.601 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -10.531 14.129 13.352 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -9.612 12.800 14.030 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -11.164 11.358 13.148 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -12.720 11.107 13.947 1.00 25.00 H new ATOM 1091 N LYS A 67 -6.964 16.563 16.000 1.00 25.00 N ATOM 1092 CA LYS A 67 -6.386 17.491 16.987 1.00 25.00 C ATOM 1093 C LYS A 67 -5.843 18.767 16.357 1.00 25.00 C ATOM 1094 O LYS A 67 -4.915 19.378 16.889 1.00 25.00 O ATOM 1095 CB LYS A 67 -5.270 16.771 17.760 1.00 25.00 C ATOM 1096 CG LYS A 67 -5.264 17.059 19.275 1.00 25.00 C ATOM 1097 CD LYS A 67 -4.119 16.334 20.000 1.00 25.00 C ATOM 1098 CE LYS A 67 -4.298 14.814 19.945 1.00 25.00 C ATOM 1099 NZ LYS A 67 -3.258 14.103 20.743 1.00 25.00 N ATOM 0 H LYS A 67 -6.307 16.239 15.291 1.00 25.00 H new ATOM 0 HA LYS A 67 -7.187 17.794 17.661 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -5.371 15.697 17.606 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -4.307 17.063 17.342 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -5.173 18.133 19.438 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -6.217 16.751 19.705 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -3.167 16.607 19.544 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -4.080 16.660 21.039 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -5.287 14.551 20.321 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -4.252 14.480 18.908 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -3.414 13.077 20.680 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -2.315 14.334 20.369 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -3.319 14.402 21.737 1.00 25.00 H new ATOM 1113 N GLN A 68 -6.423 19.195 15.246 1.00 25.00 N ATOM 1114 CA GLN A 68 -6.005 20.434 14.583 1.00 25.00 C ATOM 1115 C GLN A 68 -6.584 21.676 15.315 1.00 25.00 C ATOM 1116 O GLN A 68 -7.299 22.472 14.729 1.00 25.00 O ATOM 1117 CB GLN A 68 -6.424 20.429 13.097 1.00 25.00 C ATOM 1118 CG GLN A 68 -7.897 20.090 12.831 1.00 25.00 C ATOM 1119 CD GLN A 68 -8.250 20.329 11.399 1.00 25.00 C ATOM 1120 OE1 GLN A 68 -7.606 19.815 10.508 1.00 25.00 O ATOM 1121 NE2 GLN A 68 -9.251 21.129 11.172 1.00 25.00 N ATOM 0 H GLN A 68 -7.187 18.706 14.779 1.00 25.00 H new ATOM 0 HA GLN A 68 -4.917 20.491 14.629 1.00 25.00 H new ATOM 0 HB2 GLN A 68 -6.212 21.411 12.674 1.00 25.00 H new ATOM 0 HB3 GLN A 68 -5.801 19.711 12.564 1.00 25.00 H new ATOM 0 HG2 GLN A 68 -8.086 19.048 13.087 1.00 25.00 H new ATOM 0 HG3 GLN A 68 -8.535 20.697 13.473 1.00 25.00 H new ATOM 0 HE21 GLN A 68 -9.764 21.538 11.953 1.00 25.00 H new ATOM 0 HE22 GLN A 68 -9.523 21.347 10.213 1.00 25.00 H new ATOM 1130 N GLN A 69 -6.295 21.833 16.614 1.00 25.00 N ATOM 1131 CA GLN A 69 -6.899 22.881 17.464 1.00 25.00 C ATOM 1132 C GLN A 69 -6.599 24.336 17.040 1.00 25.00 C ATOM 1133 O GLN A 69 -7.397 25.229 17.173 1.00 25.00 O ATOM 1134 CB GLN A 69 -6.547 22.627 18.960 1.00 25.00 C ATOM 1135 CG GLN A 69 -7.440 23.458 19.886 1.00 25.00 C ATOM 1136 CD GLN A 69 -7.138 23.128 21.316 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -6.060 22.808 21.738 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -8.182 23.174 22.134 1.00 25.00 N ATOM 1139 OXT GLN A 69 -5.394 24.548 16.595 1.00 25.00 O ATOM 0 H GLN A 69 -5.634 21.237 17.111 1.00 25.00 H new ATOM 0 HA GLN A 69 -7.976 22.790 17.320 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -6.665 21.568 19.190 1.00 25.00 H new ATOM 0 HB3 GLN A 69 -5.501 22.877 19.138 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -7.276 24.521 19.706 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -8.489 23.256 19.671 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -9.098 23.446 21.777 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -8.068 22.938 23.120 1.00 25.00 H new TER 1149 GLN A 69