USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 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 31 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.1) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0325 K(o=-0.032,f=-0.59) USER MOD Single : A 4 GLN : amide:sc=-0.000929 X(o=-0.00093,f=-0.012) USER MOD Single : A 6 GLN :FLIP amide:sc= -3.54! C(o=-5.5!,f=-3.5!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -96:sc= 0.276 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc=-0.00224 F(o=-3.2!,f=-0.0022) USER MOD Single : A 27 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.49) USER MOD Single : A 28 ASN : amide:sc=-0.00325 X(o=-0.0033,f=0.055) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.01 F(o=-3.7!,f=-1) USER MOD Single : A 48 TYR OH : rot 39:sc= -2.67! USER MOD Single : A 50 MET CE :methyl -155:sc= -3.17! (180deg=-5.24!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 61 HIS : no HD1:sc= -20.6! C(o=-21!,f=-29!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.359 USER MOD Single : A 77 MET CE :methyl 138:sc= -2.61! (180deg=-4.38!) USER MOD Single : A 79 TYR OH : rot -48:sc= 0.417 USER MOD Single : A 81 ASN : amide:sc= -1.06! C(o=-1.1!,f=-0.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 34:sc= -0.38 USER MOD Single : A 100 ASN : amide:sc= -0.0482 K(o=-0.048,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.612 2.623 19.968 1.00 0.00 N ATOM 2 CA MET A 1 -16.398 2.600 20.767 1.00 0.00 C ATOM 3 C MET A 1 -15.340 1.695 20.133 1.00 0.00 C ATOM 4 O MET A 1 -14.875 0.744 20.759 1.00 0.00 O ATOM 5 CB MET A 1 -16.723 2.097 22.175 1.00 0.00 C ATOM 6 CG MET A 1 -17.005 3.264 23.123 1.00 0.00 C ATOM 7 SD MET A 1 -17.388 2.647 24.754 1.00 0.00 S ATOM 8 CE MET A 1 -17.539 4.189 25.641 1.00 0.00 C ATOM 0 H1 MET A 1 -18.313 3.244 20.420 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.394 2.981 19.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.998 1.660 19.895 1.00 0.00 H new ATOM 0 HA MET A 1 -15.999 3.613 20.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.589 1.436 22.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.889 1.508 22.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.138 3.924 23.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.837 3.857 22.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.778 3.986 26.685 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.597 4.735 25.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.334 4.788 25.196 1.00 0.00 H new ATOM 18 N GLN A 2 -14.992 2.022 18.897 1.00 0.00 N ATOM 19 CA GLN A 2 -13.998 1.250 18.170 1.00 0.00 C ATOM 20 C GLN A 2 -12.750 2.098 17.915 1.00 0.00 C ATOM 21 O GLN A 2 -12.648 3.222 18.405 1.00 0.00 O ATOM 22 CB GLN A 2 -14.573 0.712 16.859 1.00 0.00 C ATOM 23 CG GLN A 2 -15.243 -0.647 17.070 1.00 0.00 C ATOM 24 CD GLN A 2 -14.225 -1.783 16.957 1.00 0.00 C ATOM 25 OE1 GLN A 2 -13.385 -1.813 16.072 1.00 0.00 O ATOM 26 NE2 GLN A 2 -14.346 -2.714 17.899 1.00 0.00 N ATOM 0 H GLN A 2 -15.381 2.811 18.380 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.713 0.394 18.781 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.298 1.420 16.458 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.777 0.618 16.120 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.717 -0.675 18.051 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.032 -0.786 16.331 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.071 -2.628 18.611 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.713 -3.514 17.910 1.00 0.00 H new ATOM 35 N GLU A 3 -11.832 1.527 17.149 1.00 0.00 N ATOM 36 CA GLU A 3 -10.596 2.217 16.823 1.00 0.00 C ATOM 37 C GLU A 3 -10.876 3.396 15.890 1.00 0.00 C ATOM 38 O GLU A 3 -11.888 3.413 15.191 1.00 0.00 O ATOM 39 CB GLU A 3 -9.579 1.256 16.203 1.00 0.00 C ATOM 40 CG GLU A 3 -8.157 1.597 16.653 1.00 0.00 C ATOM 41 CD GLU A 3 -7.954 1.258 18.131 1.00 0.00 C ATOM 42 OE1 GLU A 3 -7.701 0.066 18.411 1.00 0.00 O ATOM 43 OE2 GLU A 3 -8.056 2.199 18.948 1.00 0.00 O ATOM 0 H GLU A 3 -11.920 0.595 16.745 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.165 2.605 17.746 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.819 0.232 16.490 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.642 1.306 15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.438 1.045 16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.964 2.657 16.490 1.00 0.00 H new ATOM 50 N GLN A 4 -9.960 4.354 15.908 1.00 0.00 N ATOM 51 CA GLN A 4 -10.096 5.535 15.072 1.00 0.00 C ATOM 52 C GLN A 4 -9.920 5.164 13.598 1.00 0.00 C ATOM 53 O GLN A 4 -8.796 5.052 13.112 1.00 0.00 O ATOM 54 CB GLN A 4 -9.099 6.618 15.487 1.00 0.00 C ATOM 55 CG GLN A 4 -9.595 8.006 15.077 1.00 0.00 C ATOM 56 CD GLN A 4 -8.760 9.105 15.739 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.543 9.049 15.791 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.481 10.104 16.240 1.00 0.00 N ATOM 0 H GLN A 4 -9.121 4.336 16.488 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.099 5.939 15.208 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.950 6.585 16.566 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.131 6.423 15.025 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.544 8.109 13.993 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.642 8.120 15.359 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.498 10.088 16.162 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.017 10.886 16.702 1.00 0.00 H new ATOM 67 N ALA A 5 -11.049 4.985 12.927 1.00 0.00 N ATOM 68 CA ALA A 5 -11.034 4.630 11.518 1.00 0.00 C ATOM 69 C ALA A 5 -10.672 5.863 10.689 1.00 0.00 C ATOM 70 O ALA A 5 -10.715 6.986 11.190 1.00 0.00 O ATOM 71 CB ALA A 5 -12.391 4.041 11.126 1.00 0.00 C ATOM 0 H ALA A 5 -11.980 5.079 13.333 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.279 3.869 11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.380 3.775 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.587 3.150 11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.173 4.778 11.306 1.00 0.00 H new ATOM 77 N GLN A 6 -10.324 5.613 9.436 1.00 0.00 N ATOM 78 CA GLN A 6 -9.955 6.690 8.532 1.00 0.00 C ATOM 79 C GLN A 6 -9.696 6.139 7.128 1.00 0.00 C ATOM 80 O GLN A 6 -8.783 5.340 6.930 1.00 0.00 O ATOM 81 CB GLN A 6 -8.736 7.451 9.056 1.00 0.00 C ATOM 82 CG GLN A 6 -7.437 6.748 8.657 1.00 0.00 C ATOM 83 CD GLN A 6 -6.272 7.207 9.537 1.00 0.00 C ATOM 84 OE1 GLN A 6 -5.088 7.161 8.933 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 -6.438 7.577 10.687 1.00 0.00 N flip ATOM 0 H GLN A 6 -10.290 4.680 9.025 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.786 7.394 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.740 8.467 8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.792 7.531 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.561 5.669 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.212 6.958 7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.375 7.587 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.640 7.876 11.247 1.00 0.00 H new ATOM 94 N GLN A 7 -10.516 6.590 6.190 1.00 0.00 N ATOM 95 CA GLN A 7 -10.388 6.153 4.811 1.00 0.00 C ATOM 96 C GLN A 7 -10.157 7.354 3.892 1.00 0.00 C ATOM 97 O GLN A 7 -11.103 8.052 3.528 1.00 0.00 O ATOM 98 CB GLN A 7 -11.617 5.354 4.372 1.00 0.00 C ATOM 99 CG GLN A 7 -11.245 4.312 3.315 1.00 0.00 C ATOM 100 CD GLN A 7 -12.486 3.569 2.818 1.00 0.00 C ATOM 101 OE1 GLN A 7 -13.018 2.687 3.473 1.00 0.00 O ATOM 102 NE2 GLN A 7 -12.916 3.971 1.625 1.00 0.00 N ATOM 0 H GLN A 7 -11.272 7.254 6.359 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.523 5.494 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.061 4.859 5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.371 6.031 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.749 4.800 2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.534 3.600 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.424 4.715 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.737 3.535 1.206 1.00 0.00 H new ATOM 111 N PHE A 8 -8.896 7.559 3.544 1.00 0.00 N ATOM 112 CA PHE A 8 -8.529 8.665 2.675 1.00 0.00 C ATOM 113 C PHE A 8 -8.626 8.260 1.202 1.00 0.00 C ATOM 114 O PHE A 8 -8.631 7.073 0.880 1.00 0.00 O ATOM 115 CB PHE A 8 -7.078 9.025 2.998 1.00 0.00 C ATOM 116 CG PHE A 8 -6.787 9.156 4.494 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.776 9.532 5.349 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.540 8.895 4.970 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.506 9.652 6.738 1.00 0.00 C ATOM 120 CE2 PHE A 8 -5.270 9.016 6.359 1.00 0.00 C ATOM 121 CZ PHE A 8 -6.259 9.392 7.213 1.00 0.00 C ATOM 0 H PHE A 8 -8.115 6.978 3.848 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.203 9.506 2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.423 8.263 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.830 9.966 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.766 9.739 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.755 8.596 4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.291 9.950 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.280 8.809 6.737 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.054 9.484 8.269 1.00 0.00 H new ATOM 131 N ILE A 9 -8.701 9.270 0.348 1.00 0.00 N ATOM 132 CA ILE A 9 -8.797 9.034 -1.083 1.00 0.00 C ATOM 133 C ILE A 9 -7.396 8.806 -1.653 1.00 0.00 C ATOM 134 O ILE A 9 -6.578 9.725 -1.686 1.00 0.00 O ATOM 135 CB ILE A 9 -9.561 10.172 -1.763 1.00 0.00 C ATOM 136 CG1 ILE A 9 -11.064 10.055 -1.504 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.240 10.231 -3.258 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.340 9.605 -0.068 1.00 0.00 C ATOM 0 H ILE A 9 -8.697 10.253 0.619 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.373 8.130 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.231 11.114 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.544 11.017 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.503 9.343 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.796 11.048 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.171 10.397 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.524 9.290 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.416 9.530 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.879 8.632 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.921 10.332 0.628 1.00 0.00 H new ATOM 150 N PHE A 10 -7.162 7.578 -2.090 1.00 0.00 N ATOM 151 CA PHE A 10 -5.873 7.218 -2.658 1.00 0.00 C ATOM 152 C PHE A 10 -5.999 5.998 -3.572 1.00 0.00 C ATOM 153 O PHE A 10 -6.850 5.138 -3.353 1.00 0.00 O ATOM 154 CB PHE A 10 -4.950 6.871 -1.488 1.00 0.00 C ATOM 155 CG PHE A 10 -3.480 6.715 -1.881 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.820 7.747 -2.471 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.832 5.543 -1.639 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.456 7.602 -2.836 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.468 5.398 -2.004 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.808 6.430 -2.595 1.00 0.00 C ATOM 0 H PHE A 10 -7.843 6.819 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.484 8.045 -3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.032 7.650 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.294 5.943 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.334 8.678 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.355 4.723 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.932 8.422 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.954 4.468 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.230 6.319 -2.873 1.00 0.00 H new ATOM 170 N LYS A 11 -5.138 5.962 -4.578 1.00 0.00 N ATOM 171 CA LYS A 11 -5.141 4.861 -5.527 1.00 0.00 C ATOM 172 C LYS A 11 -3.700 4.441 -5.820 1.00 0.00 C ATOM 173 O LYS A 11 -2.797 5.276 -5.835 1.00 0.00 O ATOM 174 CB LYS A 11 -5.939 5.235 -6.778 1.00 0.00 C ATOM 175 CG LYS A 11 -7.440 5.265 -6.483 1.00 0.00 C ATOM 176 CD LYS A 11 -8.092 6.510 -7.087 1.00 0.00 C ATOM 177 CE LYS A 11 -7.958 7.711 -6.148 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.786 8.839 -6.628 1.00 0.00 N ATOM 0 H LYS A 11 -4.433 6.677 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.646 3.993 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.617 6.211 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.735 4.516 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.912 4.370 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.603 5.251 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.626 6.740 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.146 6.314 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.266 7.429 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.914 8.018 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.683 9.646 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.474 9.118 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.784 8.547 -6.663 1.00 0.00 H new ATOM 192 N VAL A 12 -3.528 3.147 -6.045 1.00 0.00 N ATOM 193 CA VAL A 12 -2.212 2.605 -6.337 1.00 0.00 C ATOM 194 C VAL A 12 -2.289 1.737 -7.594 1.00 0.00 C ATOM 195 O VAL A 12 -3.201 0.924 -7.736 1.00 0.00 O ATOM 196 CB VAL A 12 -1.675 1.849 -5.119 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.987 0.355 -5.221 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.174 2.086 -4.945 1.00 0.00 C ATOM 0 H VAL A 12 -4.279 2.457 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.505 3.409 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.179 2.237 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.595 -0.159 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.066 0.211 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.522 -0.053 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.182 1.538 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.355 1.739 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.012 3.151 -4.805 1.00 0.00 H new ATOM 208 N THR A 13 -1.319 1.938 -8.474 1.00 0.00 N ATOM 209 CA THR A 13 -1.265 1.183 -9.714 1.00 0.00 C ATOM 210 C THR A 13 -1.297 -0.319 -9.426 1.00 0.00 C ATOM 211 O THR A 13 -0.899 -0.757 -8.347 1.00 0.00 O ATOM 212 CB THR A 13 -0.021 1.628 -10.485 1.00 0.00 C ATOM 213 OG1 THR A 13 1.065 1.194 -9.672 1.00 0.00 O ATOM 214 CG2 THR A 13 0.129 3.150 -10.527 1.00 0.00 C ATOM 0 H THR A 13 -0.564 2.613 -8.353 1.00 0.00 H new ATOM 0 HA THR A 13 -2.138 1.381 -10.336 1.00 0.00 H new ATOM 0 HB THR A 13 -0.067 1.240 -11.503 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.368 1.936 -9.108 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.027 3.412 -11.086 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.742 3.588 -11.014 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.209 3.536 -9.511 1.00 0.00 H new ATOM 222 N ASP A 14 -1.773 -1.068 -10.410 1.00 0.00 N ATOM 223 CA ASP A 14 -1.861 -2.513 -10.275 1.00 0.00 C ATOM 224 C ASP A 14 -0.474 -3.077 -9.964 1.00 0.00 C ATOM 225 O ASP A 14 -0.340 -3.993 -9.154 1.00 0.00 O ATOM 226 CB ASP A 14 -2.354 -3.157 -11.572 1.00 0.00 C ATOM 227 CG ASP A 14 -3.638 -3.979 -11.439 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.295 -3.838 -10.385 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.933 -4.730 -12.394 1.00 0.00 O ATOM 0 H ASP A 14 -2.102 -0.702 -11.304 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.564 -2.735 -9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.518 -2.372 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.566 -3.802 -11.962 1.00 0.00 H new ATOM 234 N LYS A 15 0.524 -2.507 -10.624 1.00 0.00 N ATOM 235 CA LYS A 15 1.896 -2.942 -10.427 1.00 0.00 C ATOM 236 C LYS A 15 2.294 -2.718 -8.967 1.00 0.00 C ATOM 237 O LYS A 15 2.916 -3.582 -8.350 1.00 0.00 O ATOM 238 CB LYS A 15 2.825 -2.254 -11.430 1.00 0.00 C ATOM 239 CG LYS A 15 3.793 -3.258 -12.059 1.00 0.00 C ATOM 240 CD LYS A 15 4.848 -2.545 -12.907 1.00 0.00 C ATOM 241 CE LYS A 15 5.699 -3.552 -13.684 1.00 0.00 C ATOM 242 NZ LYS A 15 6.313 -2.908 -14.867 1.00 0.00 N ATOM 0 H LYS A 15 0.409 -1.748 -11.296 1.00 0.00 H new ATOM 0 HA LYS A 15 1.988 -4.010 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.233 -1.776 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.387 -1.466 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.282 -3.837 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.239 -3.963 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.360 -1.862 -13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.489 -1.941 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.478 -3.955 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.081 -4.392 -14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.887 -3.605 -15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.565 -2.545 -15.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.919 -2.121 -14.559 1.00 0.00 H new ATOM 256 N ALA A 16 1.919 -1.555 -8.457 1.00 0.00 N ATOM 257 CA ALA A 16 2.228 -1.206 -7.080 1.00 0.00 C ATOM 258 C ALA A 16 1.576 -2.224 -6.142 1.00 0.00 C ATOM 259 O ALA A 16 2.218 -2.723 -5.219 1.00 0.00 O ATOM 260 CB ALA A 16 1.767 0.225 -6.800 1.00 0.00 C ATOM 0 H ALA A 16 1.404 -0.841 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 16 3.304 -1.241 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.999 0.486 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.282 0.911 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.691 0.299 -6.960 1.00 0.00 H new ATOM 266 N VAL A 17 0.309 -2.501 -6.411 1.00 0.00 N ATOM 267 CA VAL A 17 -0.438 -3.450 -5.602 1.00 0.00 C ATOM 268 C VAL A 17 0.148 -4.850 -5.797 1.00 0.00 C ATOM 269 O VAL A 17 0.550 -5.498 -4.832 1.00 0.00 O ATOM 270 CB VAL A 17 -1.927 -3.372 -5.944 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.502 -4.764 -6.209 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.707 -2.657 -4.839 1.00 0.00 C ATOM 0 H VAL A 17 -0.220 -2.085 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.349 -3.204 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.031 -2.788 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.562 -4.680 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.975 -5.222 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.380 -5.383 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.763 -2.615 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.592 -3.202 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.323 -1.644 -4.719 1.00 0.00 H new ATOM 282 N GLU A 18 0.177 -5.276 -7.051 1.00 0.00 N ATOM 283 CA GLU A 18 0.707 -6.587 -7.385 1.00 0.00 C ATOM 284 C GLU A 18 2.151 -6.716 -6.897 1.00 0.00 C ATOM 285 O GLU A 18 2.634 -7.822 -6.661 1.00 0.00 O ATOM 286 CB GLU A 18 0.610 -6.851 -8.888 1.00 0.00 C ATOM 287 CG GLU A 18 0.194 -8.297 -9.166 1.00 0.00 C ATOM 288 CD GLU A 18 1.022 -8.898 -10.303 1.00 0.00 C ATOM 289 OE1 GLU A 18 2.266 -8.861 -10.181 1.00 0.00 O ATOM 290 OE2 GLU A 18 0.393 -9.379 -11.270 1.00 0.00 O ATOM 0 H GLU A 18 -0.158 -4.736 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 18 0.105 -7.341 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.113 -6.169 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.572 -6.649 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.321 -8.895 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.864 -8.331 -9.425 1.00 0.00 H new ATOM 297 N GLU A 19 2.800 -5.569 -6.760 1.00 0.00 N ATOM 298 CA GLU A 19 4.180 -5.540 -6.305 1.00 0.00 C ATOM 299 C GLU A 19 4.266 -5.983 -4.843 1.00 0.00 C ATOM 300 O GLU A 19 5.336 -6.357 -4.366 1.00 0.00 O ATOM 301 CB GLU A 19 4.790 -4.150 -6.492 1.00 0.00 C ATOM 302 CG GLU A 19 6.011 -3.960 -5.590 1.00 0.00 C ATOM 303 CD GLU A 19 7.067 -5.032 -5.864 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.855 -5.806 -6.823 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.062 -5.055 -5.108 1.00 0.00 O ATOM 0 H GLU A 19 2.396 -4.653 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 19 4.756 -6.239 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.079 -4.013 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.044 -3.388 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.440 -2.972 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.706 -4.004 -4.545 1.00 0.00 H new ATOM 312 N ILE A 20 3.124 -5.928 -4.173 1.00 0.00 N ATOM 313 CA ILE A 20 3.057 -6.319 -2.775 1.00 0.00 C ATOM 314 C ILE A 20 2.849 -7.832 -2.683 1.00 0.00 C ATOM 315 O ILE A 20 3.449 -8.494 -1.837 1.00 0.00 O ATOM 316 CB ILE A 20 1.988 -5.506 -2.042 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.962 -4.060 -2.539 1.00 0.00 C ATOM 318 CG2 ILE A 20 2.180 -5.588 -0.526 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.380 -3.532 -2.765 1.00 0.00 C ATOM 0 H ILE A 20 2.238 -5.619 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 20 3.997 -6.094 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 20 1.014 -5.941 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.396 -4.001 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.448 -3.431 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.407 -5.002 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.109 -6.628 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.161 -5.193 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.333 -2.502 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.936 -3.569 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.883 -4.148 -3.510 1.00 0.00 H new ATOM 331 N LYS A 21 1.999 -8.336 -3.565 1.00 0.00 N ATOM 332 CA LYS A 21 1.705 -9.758 -3.594 1.00 0.00 C ATOM 333 C LYS A 21 2.985 -10.533 -3.915 1.00 0.00 C ATOM 334 O LYS A 21 3.259 -11.566 -3.306 1.00 0.00 O ATOM 335 CB LYS A 21 0.552 -10.048 -4.558 1.00 0.00 C ATOM 336 CG LYS A 21 -0.727 -9.336 -4.113 1.00 0.00 C ATOM 337 CD LYS A 21 -1.937 -9.839 -4.901 1.00 0.00 C ATOM 338 CE LYS A 21 -2.012 -9.173 -6.276 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.911 -9.933 -7.173 1.00 0.00 N ATOM 0 H LYS A 21 1.504 -7.784 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 21 1.364 -10.096 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.823 -9.723 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.376 -11.123 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.888 -9.502 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.617 -8.261 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.874 -10.921 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.850 -9.633 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.373 -8.150 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.015 -9.116 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.950 -9.467 -8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.550 -10.902 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.866 -9.965 -6.762 1.00 0.00 H new ATOM 353 N LYS A 22 3.734 -10.004 -4.871 1.00 0.00 N ATOM 354 CA LYS A 22 4.978 -10.632 -5.281 1.00 0.00 C ATOM 355 C LYS A 22 5.935 -10.684 -4.088 1.00 0.00 C ATOM 356 O LYS A 22 6.804 -11.553 -4.022 1.00 0.00 O ATOM 357 CB LYS A 22 5.560 -9.922 -6.505 1.00 0.00 C ATOM 358 CG LYS A 22 6.342 -8.673 -6.094 1.00 0.00 C ATOM 359 CD LYS A 22 7.834 -8.839 -6.389 1.00 0.00 C ATOM 360 CE LYS A 22 8.448 -9.934 -5.513 1.00 0.00 C ATOM 361 NZ LYS A 22 9.914 -9.993 -5.707 1.00 0.00 N ATOM 0 H LYS A 22 3.503 -9.147 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 22 4.800 -11.661 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.215 -10.603 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.755 -9.644 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.956 -7.805 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.197 -8.482 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.975 -9.088 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.350 -7.895 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.222 -9.739 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.004 -10.898 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.314 -10.741 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.124 -10.201 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.336 -9.078 -5.448 1.00 0.00 H new ATOM 375 N VAL A 23 5.743 -9.744 -3.175 1.00 0.00 N ATOM 376 CA VAL A 23 6.579 -9.671 -1.988 1.00 0.00 C ATOM 377 C VAL A 23 5.948 -10.510 -0.875 1.00 0.00 C ATOM 378 O VAL A 23 6.657 -11.099 -0.059 1.00 0.00 O ATOM 379 CB VAL A 23 6.793 -8.210 -1.587 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.021 -8.083 -0.080 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.952 -7.592 -2.371 1.00 0.00 C ATOM 0 H VAL A 23 5.021 -9.026 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 23 7.567 -10.086 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 23 5.887 -7.657 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.170 -7.035 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.152 -8.468 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.904 -8.656 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.084 -6.553 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.867 -8.148 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.733 -7.633 -3.438 1.00 0.00 H new ATOM 391 N ALA A 24 4.624 -10.539 -0.876 1.00 0.00 N ATOM 392 CA ALA A 24 3.890 -11.296 0.124 1.00 0.00 C ATOM 393 C ALA A 24 4.019 -12.790 -0.178 1.00 0.00 C ATOM 394 O ALA A 24 4.321 -13.583 0.712 1.00 0.00 O ATOM 395 CB ALA A 24 2.433 -10.830 0.150 1.00 0.00 C ATOM 0 H ALA A 24 4.040 -10.050 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 24 4.305 -11.123 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.883 -11.398 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.395 -9.769 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.982 -10.990 -0.829 1.00 0.00 H new ATOM 401 N GLN A 25 3.784 -13.129 -1.437 1.00 0.00 N ATOM 402 CA GLN A 25 3.870 -14.514 -1.868 1.00 0.00 C ATOM 403 C GLN A 25 5.284 -15.053 -1.643 1.00 0.00 C ATOM 404 O GLN A 25 5.477 -16.259 -1.500 1.00 0.00 O ATOM 405 CB GLN A 25 3.455 -14.660 -3.333 1.00 0.00 C ATOM 406 CG GLN A 25 4.304 -13.762 -4.235 1.00 0.00 C ATOM 407 CD GLN A 25 5.255 -14.595 -5.097 1.00 0.00 C ATOM 408 OE1 GLN A 25 6.420 -14.863 -4.513 1.00 0.00 O flip ATOM 409 NE2 GLN A 25 4.952 -14.969 -6.218 1.00 0.00 N flip ATOM 0 H GLN A 25 3.534 -12.468 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 25 3.177 -15.104 -1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.563 -15.699 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.402 -14.402 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.655 -13.165 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.877 -13.064 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.040 -14.728 -6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.610 -15.523 -6.766 1.00 0.00 H new ATOM 418 N GLU A 26 6.237 -14.132 -1.618 1.00 0.00 N ATOM 419 CA GLU A 26 7.628 -14.500 -1.413 1.00 0.00 C ATOM 420 C GLU A 26 7.903 -14.725 0.075 1.00 0.00 C ATOM 421 O GLU A 26 8.912 -15.328 0.439 1.00 0.00 O ATOM 422 CB GLU A 26 8.566 -13.439 -1.990 1.00 0.00 C ATOM 423 CG GLU A 26 9.732 -14.087 -2.740 1.00 0.00 C ATOM 424 CD GLU A 26 11.049 -13.375 -2.426 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.383 -13.304 -1.223 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.693 -12.918 -3.395 1.00 0.00 O ATOM 0 H GLU A 26 6.073 -13.132 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 26 7.819 -15.433 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.012 -12.787 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.950 -12.812 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.808 -15.138 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.543 -14.053 -3.813 1.00 0.00 H new ATOM 433 N ASN A 27 6.989 -14.228 0.895 1.00 0.00 N ATOM 434 CA ASN A 27 7.121 -14.368 2.336 1.00 0.00 C ATOM 435 C ASN A 27 6.014 -15.286 2.858 1.00 0.00 C ATOM 436 O ASN A 27 5.879 -15.476 4.066 1.00 0.00 O ATOM 437 CB ASN A 27 6.982 -13.014 3.035 1.00 0.00 C ATOM 438 CG ASN A 27 8.238 -12.164 2.839 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.316 -12.484 3.313 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.041 -11.065 2.116 1.00 0.00 N ATOM 0 H ASN A 27 6.154 -13.728 0.590 1.00 0.00 H new ATOM 0 HA ASN A 27 8.107 -14.783 2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.115 -12.484 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.805 -13.167 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.818 -10.431 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.113 -10.856 1.748 1.00 0.00 H new ATOM 447 N ASN A 28 5.250 -15.831 1.923 1.00 0.00 N ATOM 448 CA ASN A 28 4.160 -16.724 2.274 1.00 0.00 C ATOM 449 C ASN A 28 3.172 -15.986 3.180 1.00 0.00 C ATOM 450 O ASN A 28 2.606 -16.576 4.099 1.00 0.00 O ATOM 451 CB ASN A 28 4.674 -17.948 3.035 1.00 0.00 C ATOM 452 CG ASN A 28 3.931 -19.214 2.602 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.716 -19.303 2.663 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.727 -20.185 2.164 1.00 0.00 N ATOM 0 H ASN A 28 5.365 -15.671 0.922 1.00 0.00 H new ATOM 0 HA ASN A 28 3.680 -17.048 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.742 -18.070 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.546 -17.795 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.328 -21.071 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.737 -20.044 2.139 1.00 0.00 H new ATOM 461 N ILE A 29 2.995 -14.705 2.888 1.00 0.00 N ATOM 462 CA ILE A 29 2.086 -13.880 3.665 1.00 0.00 C ATOM 463 C ILE A 29 0.742 -13.787 2.939 1.00 0.00 C ATOM 464 O ILE A 29 0.699 -13.524 1.738 1.00 0.00 O ATOM 465 CB ILE A 29 2.719 -12.519 3.963 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.938 -12.670 4.875 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.687 -11.549 4.541 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.780 -11.392 4.881 1.00 0.00 C ATOM 0 H ILE A 29 3.466 -14.219 2.125 1.00 0.00 H new ATOM 0 HA ILE A 29 1.894 -14.336 4.636 1.00 0.00 H new ATOM 0 HB ILE A 29 3.070 -12.092 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.612 -12.899 5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.547 -13.509 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.163 -10.590 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.878 -11.408 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.283 -11.957 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.640 -11.526 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.125 -11.179 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.175 -10.560 5.241 1.00 0.00 H new ATOM 480 N GLU A 30 -0.321 -14.008 3.698 1.00 0.00 N ATOM 481 CA GLU A 30 -1.662 -13.953 3.142 1.00 0.00 C ATOM 482 C GLU A 30 -2.398 -12.714 3.655 1.00 0.00 C ATOM 483 O GLU A 30 -3.598 -12.562 3.429 1.00 0.00 O ATOM 484 CB GLU A 30 -2.443 -15.228 3.465 1.00 0.00 C ATOM 485 CG GLU A 30 -2.877 -15.945 2.185 1.00 0.00 C ATOM 486 CD GLU A 30 -3.512 -17.300 2.505 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.714 -17.296 2.850 1.00 0.00 O ATOM 488 OE2 GLU A 30 -2.782 -18.309 2.396 1.00 0.00 O ATOM 0 H GLU A 30 -0.281 -14.226 4.694 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.582 -13.881 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.825 -15.894 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.320 -14.980 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.589 -15.325 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.015 -16.088 1.534 1.00 0.00 H new ATOM 495 N ASN A 31 -1.649 -11.859 4.335 1.00 0.00 N ATOM 496 CA ASN A 31 -2.216 -10.638 4.882 1.00 0.00 C ATOM 497 C ASN A 31 -1.128 -9.564 4.957 1.00 0.00 C ATOM 498 O ASN A 31 -0.731 -9.153 6.046 1.00 0.00 O ATOM 499 CB ASN A 31 -2.754 -10.865 6.296 1.00 0.00 C ATOM 500 CG ASN A 31 -3.746 -9.768 6.688 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.715 -9.496 5.998 1.00 0.00 O ATOM 502 ND2 ASN A 31 -3.451 -9.156 7.831 1.00 0.00 N ATOM 0 H ASN A 31 -0.654 -11.987 4.520 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.033 -10.325 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.242 -11.838 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.927 -10.882 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.052 -8.409 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.624 -9.433 8.359 1.00 0.00 H new ATOM 509 N PRO A 32 -0.664 -9.131 3.754 1.00 0.00 N ATOM 510 CA PRO A 32 0.370 -8.114 3.673 1.00 0.00 C ATOM 511 C PRO A 32 -0.196 -6.729 3.993 1.00 0.00 C ATOM 512 O PRO A 32 -1.323 -6.413 3.614 1.00 0.00 O ATOM 513 CB PRO A 32 0.917 -8.220 2.259 1.00 0.00 C ATOM 514 CG PRO A 32 -0.138 -8.967 1.460 1.00 0.00 C ATOM 515 CD PRO A 32 -1.110 -9.596 2.444 1.00 0.00 C ATOM 0 HA PRO A 32 1.164 -8.263 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.101 -7.232 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.867 -8.754 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.662 -8.286 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.325 -9.733 0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.135 -9.285 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.088 -10.684 2.381 1.00 0.00 H new ATOM 523 N ILE A 33 0.611 -5.940 4.687 1.00 0.00 N ATOM 524 CA ILE A 33 0.204 -4.597 5.062 1.00 0.00 C ATOM 525 C ILE A 33 1.243 -3.594 4.555 1.00 0.00 C ATOM 526 O ILE A 33 2.294 -3.419 5.170 1.00 0.00 O ATOM 527 CB ILE A 33 -0.046 -4.514 6.569 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.145 -5.489 6.997 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.357 -3.077 6.995 1.00 0.00 C ATOM 530 CD1 ILE A 33 -0.805 -6.146 8.336 1.00 0.00 C ATOM 0 H ILE A 33 1.545 -6.205 4.999 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.745 -4.341 4.590 1.00 0.00 H new ATOM 0 HB ILE A 33 0.867 -4.812 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.094 -4.959 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.273 -6.256 6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.531 -3.046 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.486 -2.433 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.248 -2.728 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.603 -6.834 8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.132 -6.695 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.702 -5.378 9.102 1.00 0.00 H new ATOM 542 N LEU A 34 0.912 -2.961 3.439 1.00 0.00 N ATOM 543 CA LEU A 34 1.803 -1.981 2.843 1.00 0.00 C ATOM 544 C LEU A 34 1.447 -0.589 3.368 1.00 0.00 C ATOM 545 O LEU A 34 0.279 -0.205 3.376 1.00 0.00 O ATOM 546 CB LEU A 34 1.774 -2.089 1.317 1.00 0.00 C ATOM 547 CG LEU A 34 3.120 -1.924 0.607 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.720 -0.544 0.882 1.00 0.00 C ATOM 549 CD2 LEU A 34 4.081 -3.053 0.986 1.00 0.00 C ATOM 0 H LEU A 34 0.039 -3.108 2.932 1.00 0.00 H new ATOM 0 HA LEU A 34 2.835 -2.177 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.361 -3.062 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.088 -1.335 0.932 1.00 0.00 H new ATOM 0 HG LEU A 34 2.950 -1.992 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.676 -0.453 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.039 0.227 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.874 -0.421 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.030 -2.912 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.250 -3.041 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.649 -4.011 0.697 1.00 0.00 H new ATOM 561 N ARG A 35 2.476 0.129 3.793 1.00 0.00 N ATOM 562 CA ARG A 35 2.287 1.471 4.319 1.00 0.00 C ATOM 563 C ARG A 35 2.861 2.507 3.350 1.00 0.00 C ATOM 564 O ARG A 35 3.858 2.247 2.677 1.00 0.00 O ATOM 565 CB ARG A 35 2.962 1.629 5.683 1.00 0.00 C ATOM 566 CG ARG A 35 4.483 1.518 5.557 1.00 0.00 C ATOM 567 CD ARG A 35 5.179 2.153 6.763 1.00 0.00 C ATOM 568 NE ARG A 35 6.182 1.217 7.318 1.00 0.00 N ATOM 569 CZ ARG A 35 6.868 1.435 8.449 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.663 2.557 9.151 1.00 0.00 N ATOM 571 NH2 ARG A 35 7.758 0.529 8.878 1.00 0.00 N ATOM 0 H ARG A 35 3.444 -0.193 3.784 1.00 0.00 H new ATOM 0 HA ARG A 35 1.215 1.633 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.699 2.595 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.593 0.864 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.770 0.469 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.813 2.009 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.663 3.084 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.443 2.406 7.527 1.00 0.00 H new ATOM 0 HE ARG A 35 6.363 0.352 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.985 3.246 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.185 2.723 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.913 -0.326 8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.280 0.695 9.738 1.00 0.00 H new ATOM 585 N ILE A 36 2.208 3.658 3.310 1.00 0.00 N ATOM 586 CA ILE A 36 2.641 4.734 2.435 1.00 0.00 C ATOM 587 C ILE A 36 3.364 5.799 3.262 1.00 0.00 C ATOM 588 O ILE A 36 2.738 6.513 4.044 1.00 0.00 O ATOM 589 CB ILE A 36 1.459 5.279 1.629 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.217 4.438 0.374 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.657 6.759 1.298 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.490 3.137 0.718 1.00 0.00 C ATOM 0 H ILE A 36 1.382 3.870 3.870 1.00 0.00 H new ATOM 0 HA ILE A 36 3.354 4.362 1.699 1.00 0.00 H new ATOM 0 HB ILE A 36 0.562 5.204 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.628 5.009 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.169 4.211 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.803 7.121 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.742 7.330 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.567 6.882 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.330 2.558 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.093 2.557 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.472 3.368 1.175 1.00 0.00 H new ATOM 604 N ARG A 37 4.672 5.872 3.061 1.00 0.00 N ATOM 605 CA ARG A 37 5.486 6.837 3.779 1.00 0.00 C ATOM 606 C ARG A 37 6.294 7.686 2.795 1.00 0.00 C ATOM 607 O ARG A 37 6.537 7.269 1.664 1.00 0.00 O ATOM 608 CB ARG A 37 6.445 6.139 4.746 1.00 0.00 C ATOM 609 CG ARG A 37 6.559 6.913 6.060 1.00 0.00 C ATOM 610 CD ARG A 37 7.997 7.378 6.299 1.00 0.00 C ATOM 611 NE ARG A 37 8.587 6.636 7.435 1.00 0.00 N ATOM 612 CZ ARG A 37 9.820 6.851 7.914 1.00 0.00 C ATOM 613 NH1 ARG A 37 10.601 7.788 7.359 1.00 0.00 N ATOM 614 NH2 ARG A 37 10.272 6.130 8.949 1.00 0.00 N ATOM 0 H ARG A 37 5.188 5.278 2.411 1.00 0.00 H new ATOM 0 HA ARG A 37 4.814 7.477 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.093 5.127 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.429 6.049 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.893 7.776 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.235 6.282 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.593 7.218 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.012 8.448 6.506 1.00 0.00 H new ATOM 0 HE ARG A 37 8.020 5.916 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.257 8.338 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.539 7.951 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.678 5.417 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.210 6.294 9.313 1.00 0.00 H new ATOM 628 N VAL A 38 6.689 8.861 3.262 1.00 0.00 N ATOM 629 CA VAL A 38 7.464 9.772 2.437 1.00 0.00 C ATOM 630 C VAL A 38 8.954 9.558 2.710 1.00 0.00 C ATOM 631 O VAL A 38 9.361 9.397 3.860 1.00 0.00 O ATOM 632 CB VAL A 38 7.013 11.213 2.683 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.249 12.080 1.444 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.546 11.262 3.115 1.00 0.00 C ATOM 0 H VAL A 38 6.487 9.203 4.201 1.00 0.00 H new ATOM 0 HA VAL A 38 7.294 9.568 1.380 1.00 0.00 H new ATOM 0 HB VAL A 38 7.615 11.619 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.920 13.099 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.311 12.083 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.684 11.676 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.251 12.298 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.922 10.829 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.419 10.694 4.037 1.00 0.00 H new ATOM 644 N VAL A 39 9.727 9.562 1.634 1.00 0.00 N ATOM 645 CA VAL A 39 11.163 9.370 1.743 1.00 0.00 C ATOM 646 C VAL A 39 11.835 9.837 0.451 1.00 0.00 C ATOM 647 O VAL A 39 11.733 9.175 -0.581 1.00 0.00 O ATOM 648 CB VAL A 39 11.471 7.911 2.084 1.00 0.00 C ATOM 649 CG1 VAL A 39 10.892 6.967 1.028 1.00 0.00 C ATOM 650 CG2 VAL A 39 12.977 7.692 2.249 1.00 0.00 C ATOM 0 H VAL A 39 9.386 9.695 0.682 1.00 0.00 H new ATOM 0 HA VAL A 39 11.569 9.972 2.556 1.00 0.00 H new ATOM 0 HB VAL A 39 10.993 7.682 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.125 5.936 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.810 7.094 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.327 7.198 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.168 6.647 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.486 7.948 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.351 8.325 3.054 1.00 0.00 H new ATOM 660 N PRO A 40 12.527 11.004 0.551 1.00 0.00 N ATOM 661 CA PRO A 40 13.216 11.567 -0.597 1.00 0.00 C ATOM 662 C PRO A 40 14.500 10.792 -0.900 1.00 0.00 C ATOM 663 O PRO A 40 14.933 9.964 -0.101 1.00 0.00 O ATOM 664 CB PRO A 40 13.471 13.019 -0.229 1.00 0.00 C ATOM 665 CG PRO A 40 13.335 13.097 1.282 1.00 0.00 C ATOM 666 CD PRO A 40 12.670 11.815 1.757 1.00 0.00 C ATOM 0 HA PRO A 40 12.631 11.499 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.464 13.334 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.755 13.678 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.313 13.215 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.740 13.964 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.278 11.307 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.702 12.017 2.216 1.00 0.00 H new ATOM 674 N GLY A 41 15.073 11.089 -2.057 1.00 0.00 N ATOM 675 CA GLY A 41 16.299 10.431 -2.476 1.00 0.00 C ATOM 676 C GLY A 41 17.260 11.426 -3.129 1.00 0.00 C ATOM 677 O GLY A 41 18.442 11.468 -2.789 1.00 0.00 O ATOM 0 H GLY A 41 14.711 11.777 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.780 9.968 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.065 9.631 -3.179 1.00 0.00 H new ATOM 681 N GLY A 42 16.718 12.204 -4.054 1.00 0.00 N ATOM 682 CA GLY A 42 17.512 13.196 -4.758 1.00 0.00 C ATOM 683 C GLY A 42 17.850 12.724 -6.174 1.00 0.00 C ATOM 684 O GLY A 42 17.458 13.357 -7.153 1.00 0.00 O ATOM 0 H GLY A 42 15.737 12.167 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.965 14.138 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.432 13.389 -4.206 1.00 0.00 H new ATOM 688 N CYS A 43 18.575 11.617 -6.237 1.00 0.00 N ATOM 689 CA CYS A 43 18.970 11.053 -7.517 1.00 0.00 C ATOM 690 C CYS A 43 17.780 10.279 -8.088 1.00 0.00 C ATOM 691 O CYS A 43 17.495 10.365 -9.282 1.00 0.00 O ATOM 692 CB CYS A 43 20.214 10.172 -7.387 1.00 0.00 C ATOM 693 SG CYS A 43 21.486 10.704 -8.590 1.00 0.00 S ATOM 0 H CYS A 43 18.899 11.095 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 43 19.243 11.855 -8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 43 20.611 10.236 -6.374 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.951 9.129 -7.561 1.00 0.00 H new ATOM 0 HG CYS A 43 22.539 9.951 -8.470 1.00 0.00 H new ATOM 699 N SER A 44 17.118 9.541 -7.210 1.00 0.00 N ATOM 700 CA SER A 44 15.965 8.753 -7.612 1.00 0.00 C ATOM 701 C SER A 44 14.747 9.661 -7.793 1.00 0.00 C ATOM 702 O SER A 44 13.995 9.512 -8.754 1.00 0.00 O ATOM 703 CB SER A 44 15.663 7.656 -6.588 1.00 0.00 C ATOM 704 OG SER A 44 16.446 6.487 -6.812 1.00 0.00 O ATOM 0 H SER A 44 17.358 9.472 -6.221 1.00 0.00 H new ATOM 0 HA SER A 44 16.195 8.272 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.855 8.034 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.605 7.398 -6.634 1.00 0.00 H new ATOM 0 HG SER A 44 16.225 5.811 -6.137 1.00 0.00 H new ATOM 710 N GLY A 45 14.591 10.582 -6.853 1.00 0.00 N ATOM 711 CA GLY A 45 13.478 11.514 -6.897 1.00 0.00 C ATOM 712 C GLY A 45 12.589 11.365 -5.660 1.00 0.00 C ATOM 713 O GLY A 45 12.861 10.537 -4.792 1.00 0.00 O ATOM 0 H GLY A 45 15.217 10.702 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.856 12.535 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.888 11.339 -7.797 1.00 0.00 H new ATOM 717 N PHE A 46 11.546 12.180 -5.618 1.00 0.00 N ATOM 718 CA PHE A 46 10.616 12.150 -4.502 1.00 0.00 C ATOM 719 C PHE A 46 9.548 11.074 -4.708 1.00 0.00 C ATOM 720 O PHE A 46 8.627 11.253 -5.503 1.00 0.00 O ATOM 721 CB PHE A 46 9.939 13.520 -4.447 1.00 0.00 C ATOM 722 CG PHE A 46 9.296 13.842 -3.096 1.00 0.00 C ATOM 723 CD1 PHE A 46 8.086 13.309 -2.775 1.00 0.00 C ATOM 724 CD2 PHE A 46 9.933 14.662 -2.217 1.00 0.00 C ATOM 725 CE1 PHE A 46 7.490 13.608 -1.521 1.00 0.00 C ATOM 726 CE2 PHE A 46 9.336 14.960 -0.964 1.00 0.00 C ATOM 727 CZ PHE A 46 8.127 14.427 -0.642 1.00 0.00 C ATOM 0 H PHE A 46 11.324 12.866 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 46 11.149 11.923 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.677 14.288 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.174 13.568 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.579 12.659 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.893 15.086 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.530 13.185 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.842 15.610 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.673 14.654 0.311 1.00 0.00 H new ATOM 737 N GLN A 47 9.706 9.980 -3.976 1.00 0.00 N ATOM 738 CA GLN A 47 8.766 8.876 -4.068 1.00 0.00 C ATOM 739 C GLN A 47 8.606 8.201 -2.705 1.00 0.00 C ATOM 740 O GLN A 47 9.445 8.370 -1.821 1.00 0.00 O ATOM 741 CB GLN A 47 9.208 7.867 -5.131 1.00 0.00 C ATOM 742 CG GLN A 47 10.707 7.581 -5.025 1.00 0.00 C ATOM 743 CD GLN A 47 11.411 7.842 -6.359 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.355 9.109 -6.761 1.00 0.00 O flip ATOM 745 NE2 GLN A 47 11.967 6.953 -6.982 1.00 0.00 N flip ATOM 0 H GLN A 47 10.471 9.835 -3.317 1.00 0.00 H new ATOM 0 HA GLN A 47 7.797 9.273 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.648 6.939 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.977 8.254 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.146 8.208 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.863 6.545 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.973 6.001 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.426 7.162 -7.869 1.00 0.00 H new ATOM 754 N TYR A 48 7.522 7.450 -2.576 1.00 0.00 N ATOM 755 CA TYR A 48 7.240 6.748 -1.335 1.00 0.00 C ATOM 756 C TYR A 48 7.671 5.283 -1.424 1.00 0.00 C ATOM 757 O TYR A 48 7.251 4.563 -2.329 1.00 0.00 O ATOM 758 CB TYR A 48 5.723 6.812 -1.150 1.00 0.00 C ATOM 759 CG TYR A 48 5.179 8.227 -0.950 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.288 9.158 -1.963 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.579 8.574 0.244 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.776 10.491 -1.774 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.067 9.906 0.432 1.00 0.00 C ATOM 764 CZ TYR A 48 4.191 10.799 -0.586 1.00 0.00 C ATOM 765 OH TYR A 48 3.707 12.058 -0.408 1.00 0.00 O ATOM 0 H TYR A 48 6.828 7.312 -3.311 1.00 0.00 H new ATOM 0 HA TYR A 48 7.781 7.202 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.242 6.369 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.446 6.203 -0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.757 8.887 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.494 7.846 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.855 11.229 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.595 10.190 1.361 1.00 0.00 H new ATOM 0 HH TYR A 48 3.289 12.368 -1.238 1.00 0.00 H new ATOM 775 N ALA A 49 8.502 4.885 -0.472 1.00 0.00 N ATOM 776 CA ALA A 49 8.994 3.518 -0.432 1.00 0.00 C ATOM 777 C ALA A 49 7.928 2.616 0.192 1.00 0.00 C ATOM 778 O ALA A 49 7.103 3.076 0.980 1.00 0.00 O ATOM 779 CB ALA A 49 10.317 3.474 0.336 1.00 0.00 C ATOM 0 H ALA A 49 8.847 5.485 0.277 1.00 0.00 H new ATOM 0 HA ALA A 49 9.189 3.150 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.686 2.449 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.049 4.109 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.159 3.833 1.353 1.00 0.00 H new ATOM 785 N MET A 50 7.979 1.346 -0.183 1.00 0.00 N ATOM 786 CA MET A 50 7.028 0.375 0.329 1.00 0.00 C ATOM 787 C MET A 50 7.559 -0.296 1.598 1.00 0.00 C ATOM 788 O MET A 50 8.699 -0.063 1.997 1.00 0.00 O ATOM 789 CB MET A 50 6.759 -0.689 -0.737 1.00 0.00 C ATOM 790 CG MET A 50 5.992 -0.097 -1.921 1.00 0.00 C ATOM 791 SD MET A 50 6.185 -1.140 -3.357 1.00 0.00 S ATOM 792 CE MET A 50 4.620 -0.851 -4.163 1.00 0.00 C ATOM 0 H MET A 50 8.665 0.967 -0.836 1.00 0.00 H new ATOM 0 HA MET A 50 6.103 0.896 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.703 -1.108 -1.084 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.187 -1.509 -0.302 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.936 -0.002 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.359 0.906 -2.138 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.373 -1.704 -4.795 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.842 -0.720 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.687 0.048 -4.776 1.00 0.00 H new ATOM 802 N GLY A 51 6.708 -1.116 2.196 1.00 0.00 N ATOM 803 CA GLY A 51 7.078 -1.822 3.411 1.00 0.00 C ATOM 804 C GLY A 51 5.914 -2.671 3.928 1.00 0.00 C ATOM 805 O GLY A 51 4.797 -2.176 4.073 1.00 0.00 O ATOM 0 H GLY A 51 5.763 -1.307 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.940 -2.460 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.378 -1.105 4.176 1.00 0.00 H new ATOM 809 N PHE A 52 6.216 -3.934 4.190 1.00 0.00 N ATOM 810 CA PHE A 52 5.209 -4.856 4.688 1.00 0.00 C ATOM 811 C PHE A 52 5.449 -5.188 6.162 1.00 0.00 C ATOM 812 O PHE A 52 6.395 -5.900 6.495 1.00 0.00 O ATOM 813 CB PHE A 52 5.329 -6.138 3.862 1.00 0.00 C ATOM 814 CG PHE A 52 6.772 -6.562 3.577 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.423 -7.383 4.444 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.403 -6.116 2.458 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.762 -7.776 4.179 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.742 -6.509 2.194 1.00 0.00 C ATOM 819 CZ PHE A 52 9.393 -7.330 3.060 1.00 0.00 C ATOM 0 H PHE A 52 7.143 -4.341 4.067 1.00 0.00 H new ATOM 0 HA PHE A 52 4.219 -4.407 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.821 -6.946 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.808 -5.998 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.922 -7.736 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.886 -5.463 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.279 -8.429 4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.243 -6.155 1.305 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.411 -7.628 2.859 1.00 0.00 H new ATOM 829 N ASP A 53 4.576 -4.656 7.005 1.00 0.00 N ATOM 830 CA ASP A 53 4.682 -4.887 8.436 1.00 0.00 C ATOM 831 C ASP A 53 3.569 -5.839 8.878 1.00 0.00 C ATOM 832 O ASP A 53 2.710 -6.210 8.079 1.00 0.00 O ATOM 833 CB ASP A 53 4.526 -3.582 9.217 1.00 0.00 C ATOM 834 CG ASP A 53 5.761 -2.679 9.222 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.827 -3.173 8.794 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.612 -1.515 9.653 1.00 0.00 O ATOM 0 H ASP A 53 3.793 -4.066 6.725 1.00 0.00 H new ATOM 0 HA ASP A 53 5.665 -5.312 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.688 -3.024 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.266 -3.822 10.248 1.00 0.00 H new ATOM 841 N ASP A 54 3.620 -6.208 10.149 1.00 0.00 N ATOM 842 CA ASP A 54 2.626 -7.110 10.707 1.00 0.00 C ATOM 843 C ASP A 54 2.038 -6.491 11.977 1.00 0.00 C ATOM 844 O ASP A 54 2.137 -7.070 13.058 1.00 0.00 O ATOM 845 CB ASP A 54 3.252 -8.454 11.083 1.00 0.00 C ATOM 846 CG ASP A 54 3.817 -9.255 9.908 1.00 0.00 C ATOM 847 OD1 ASP A 54 3.013 -9.592 9.012 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.040 -9.512 9.932 1.00 0.00 O ATOM 0 H ASP A 54 4.334 -5.899 10.809 1.00 0.00 H new ATOM 0 HA ASP A 54 1.854 -7.269 9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.053 -8.277 11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.500 -9.060 11.588 1.00 0.00 H new ATOM 853 N THR A 55 1.439 -5.322 11.805 1.00 0.00 N ATOM 854 CA THR A 55 0.835 -4.618 12.924 1.00 0.00 C ATOM 855 C THR A 55 0.134 -3.348 12.439 1.00 0.00 C ATOM 856 O THR A 55 0.539 -2.753 11.441 1.00 0.00 O ATOM 857 CB THR A 55 1.929 -4.351 13.960 1.00 0.00 C ATOM 858 OG1 THR A 55 1.255 -3.655 15.005 1.00 0.00 O ATOM 859 CG2 THR A 55 2.975 -3.352 13.462 1.00 0.00 C ATOM 0 H THR A 55 1.359 -4.844 10.907 1.00 0.00 H new ATOM 0 HA THR A 55 0.059 -5.219 13.397 1.00 0.00 H new ATOM 0 HB THR A 55 2.418 -5.289 14.221 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.891 -3.444 15.720 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.728 -3.198 14.235 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.452 -3.743 12.563 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.491 -2.403 13.233 1.00 0.00 H new ATOM 867 N VAL A 56 -0.906 -2.969 13.168 1.00 0.00 N ATOM 868 CA VAL A 56 -1.667 -1.780 12.825 1.00 0.00 C ATOM 869 C VAL A 56 -1.156 -0.597 13.650 1.00 0.00 C ATOM 870 O VAL A 56 -0.586 -0.784 14.724 1.00 0.00 O ATOM 871 CB VAL A 56 -3.162 -2.043 13.018 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.830 -0.884 13.762 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.851 -2.303 11.677 1.00 0.00 C ATOM 0 H VAL A 56 -1.239 -3.465 13.995 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.528 -1.527 11.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.269 -2.940 13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.892 -1.095 13.886 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.367 -0.765 14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.708 0.035 13.189 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.912 -2.487 11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.730 -1.433 11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.402 -3.174 11.200 1.00 0.00 H new ATOM 883 N GLU A 57 -1.379 0.595 13.116 1.00 0.00 N ATOM 884 CA GLU A 57 -0.948 1.808 13.789 1.00 0.00 C ATOM 885 C GLU A 57 -2.099 2.399 14.606 1.00 0.00 C ATOM 886 O GLU A 57 -3.240 1.953 14.492 1.00 0.00 O ATOM 887 CB GLU A 57 -0.407 2.829 12.787 1.00 0.00 C ATOM 888 CG GLU A 57 0.540 2.165 11.785 1.00 0.00 C ATOM 889 CD GLU A 57 1.915 1.919 12.411 1.00 0.00 C ATOM 890 OE1 GLU A 57 2.643 2.918 12.591 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.205 0.736 12.694 1.00 0.00 O ATOM 0 H GLU A 57 -1.852 0.746 12.225 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.137 1.553 14.471 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.236 3.296 12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.118 3.622 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.115 1.219 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.645 2.798 10.904 1.00 0.00 H new ATOM 898 N GLU A 58 -1.761 3.395 15.412 1.00 0.00 N ATOM 899 CA GLU A 58 -2.751 4.052 16.248 1.00 0.00 C ATOM 900 C GLU A 58 -3.514 5.103 15.439 1.00 0.00 C ATOM 901 O GLU A 58 -3.763 6.205 15.926 1.00 0.00 O ATOM 902 CB GLU A 58 -2.100 4.676 17.483 1.00 0.00 C ATOM 903 CG GLU A 58 -2.762 4.170 18.767 1.00 0.00 C ATOM 904 CD GLU A 58 -2.007 4.663 20.003 1.00 0.00 C ATOM 905 OE1 GLU A 58 -0.844 4.236 20.166 1.00 0.00 O ATOM 906 OE2 GLU A 58 -2.611 5.456 20.758 1.00 0.00 O ATOM 0 H GLU A 58 -0.814 3.763 15.504 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.462 3.301 16.594 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.037 4.436 17.499 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.181 5.762 17.432 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.796 4.513 18.807 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.787 3.080 18.762 1.00 0.00 H new ATOM 913 N GLY A 59 -3.864 4.726 14.219 1.00 0.00 N ATOM 914 CA GLY A 59 -4.594 5.622 13.338 1.00 0.00 C ATOM 915 C GLY A 59 -3.962 5.658 11.946 1.00 0.00 C ATOM 916 O GLY A 59 -3.333 6.647 11.570 1.00 0.00 O ATOM 0 H GLY A 59 -3.656 3.811 13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.632 5.297 13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.605 6.626 13.762 1.00 0.00 H new ATOM 920 N ASP A 60 -4.149 4.568 11.217 1.00 0.00 N ATOM 921 CA ASP A 60 -3.605 4.462 9.874 1.00 0.00 C ATOM 922 C ASP A 60 -4.747 4.235 8.882 1.00 0.00 C ATOM 923 O ASP A 60 -5.699 3.515 9.179 1.00 0.00 O ATOM 924 CB ASP A 60 -2.640 3.280 9.762 1.00 0.00 C ATOM 925 CG ASP A 60 -1.198 3.653 9.414 1.00 0.00 C ATOM 926 OD1 ASP A 60 -0.873 4.852 9.550 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.452 2.730 9.019 1.00 0.00 O ATOM 0 H ASP A 60 -4.670 3.750 11.531 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.071 5.386 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.641 2.739 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.016 2.595 9.002 1.00 0.00 H new ATOM 932 N HIS A 61 -4.615 4.864 7.723 1.00 0.00 N ATOM 933 CA HIS A 61 -5.625 4.740 6.685 1.00 0.00 C ATOM 934 C HIS A 61 -5.669 3.295 6.183 1.00 0.00 C ATOM 935 O HIS A 61 -4.906 2.920 5.294 1.00 0.00 O ATOM 936 CB HIS A 61 -5.377 5.751 5.564 1.00 0.00 C ATOM 937 CG HIS A 61 -6.246 5.542 4.346 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.402 4.781 4.372 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.117 6.003 3.069 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.935 4.789 3.159 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.137 5.547 2.353 1.00 0.00 N ATOM 0 H HIS A 61 -3.824 5.461 7.480 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.607 4.975 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.547 6.756 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.330 5.697 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.320 6.633 2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.842 4.284 2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.298 5.733 1.363 1.00 0.00 H new ATOM 949 N VAL A 62 -6.571 2.525 6.773 1.00 0.00 N ATOM 950 CA VAL A 62 -6.725 1.130 6.396 1.00 0.00 C ATOM 951 C VAL A 62 -7.474 1.046 5.065 1.00 0.00 C ATOM 952 O VAL A 62 -8.676 1.301 5.007 1.00 0.00 O ATOM 953 CB VAL A 62 -7.417 0.358 7.521 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.834 -0.051 7.115 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.592 -0.862 7.936 1.00 0.00 C ATOM 0 H VAL A 62 -7.203 2.840 7.509 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.751 0.663 6.251 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.494 1.020 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.303 -0.598 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.420 0.840 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.790 -0.687 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.106 -1.393 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.469 -1.526 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.612 -0.537 8.286 1.00 0.00 H new ATOM 965 N PHE A 63 -6.733 0.687 4.027 1.00 0.00 N ATOM 966 CA PHE A 63 -7.311 0.566 2.700 1.00 0.00 C ATOM 967 C PHE A 63 -7.229 -0.877 2.195 1.00 0.00 C ATOM 968 O PHE A 63 -6.140 -1.438 2.085 1.00 0.00 O ATOM 969 CB PHE A 63 -6.494 1.466 1.771 1.00 0.00 C ATOM 970 CG PHE A 63 -7.337 2.446 0.954 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.615 2.126 0.615 1.00 0.00 C ATOM 972 CD2 PHE A 63 -6.809 3.638 0.566 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.398 3.036 -0.144 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.592 4.548 -0.193 1.00 0.00 C ATOM 975 CZ PHE A 63 -8.870 4.228 -0.532 1.00 0.00 C ATOM 0 H PHE A 63 -5.736 0.476 4.079 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.362 0.855 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.776 2.030 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.920 0.840 1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.034 1.180 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.794 3.892 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.413 2.782 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.173 5.494 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.465 4.920 -1.109 1.00 0.00 H new ATOM 985 N GLU A 64 -8.394 -1.435 1.902 1.00 0.00 N ATOM 986 CA GLU A 64 -8.467 -2.801 1.412 1.00 0.00 C ATOM 987 C GLU A 64 -8.072 -2.856 -0.065 1.00 0.00 C ATOM 988 O GLU A 64 -8.650 -2.152 -0.893 1.00 0.00 O ATOM 989 CB GLU A 64 -9.864 -3.387 1.629 1.00 0.00 C ATOM 990 CG GLU A 64 -10.247 -3.358 3.110 1.00 0.00 C ATOM 991 CD GLU A 64 -11.588 -4.057 3.343 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.707 -5.219 2.898 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.463 -3.413 3.961 1.00 0.00 O ATOM 0 H GLU A 64 -9.295 -0.966 1.994 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.762 -3.409 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.594 -2.821 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.893 -4.413 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.471 -3.846 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.306 -2.325 3.454 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.092 -3.700 -0.351 1.00 0.00 N ATOM 1001 CA TYR A 65 -6.613 -3.856 -1.714 1.00 0.00 C ATOM 1002 C TYR A 65 -7.101 -5.174 -2.319 1.00 0.00 C ATOM 1003 O TYR A 65 -7.963 -5.841 -1.749 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.086 -3.885 -1.624 1.00 0.00 C ATOM 1005 CG TYR A 65 -4.432 -2.503 -1.688 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.160 -1.380 -1.352 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -3.115 -2.380 -2.082 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.545 -0.079 -1.412 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -2.500 -1.079 -2.142 1.00 0.00 C ATOM 1010 CZ TYR A 65 -3.245 0.007 -1.804 1.00 0.00 C ATOM 1011 OH TYR A 65 -2.665 1.235 -1.861 1.00 0.00 O ATOM 0 H TYR A 65 -6.616 -4.283 0.338 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.979 -3.046 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.796 -4.370 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.696 -4.498 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.191 -1.477 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.546 -3.259 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.103 0.808 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.470 -0.969 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.735 1.144 -2.156 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.529 -5.510 -3.466 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.895 -6.736 -4.154 1.00 0.00 C ATOM 1023 C ASP A 66 -6.447 -7.938 -3.319 1.00 0.00 C ATOM 1024 O ASP A 66 -5.512 -8.645 -3.695 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.211 -6.827 -5.519 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.977 -7.627 -6.574 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.406 -8.751 -6.234 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -7.117 -7.097 -7.698 1.00 0.00 O ATOM 0 H ASP A 66 -5.815 -4.954 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.976 -6.735 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.051 -5.817 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.227 -7.278 -5.386 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.133 -8.132 -2.203 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.817 -9.236 -1.313 1.00 0.00 C ATOM 1035 C GLY A 67 -5.570 -8.929 -0.481 1.00 0.00 C ATOM 1036 O GLY A 67 -4.784 -9.826 -0.180 1.00 0.00 O ATOM 0 H GLY A 67 -7.907 -7.543 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.662 -9.428 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.656 -10.143 -1.896 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.428 -7.659 -0.133 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.290 -7.223 0.658 1.00 0.00 C ATOM 1042 C VAL A 68 -4.685 -5.992 1.478 1.00 0.00 C ATOM 1043 O VAL A 68 -5.622 -5.280 1.122 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.085 -6.974 -0.251 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.983 -6.217 0.494 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.554 -8.287 -0.830 1.00 0.00 C ATOM 0 H VAL A 68 -6.082 -6.918 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.994 -8.001 1.362 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.416 -6.351 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.138 -6.053 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.368 -5.256 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.657 -6.802 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.698 -8.081 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.248 -8.946 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.337 -8.771 -1.413 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.950 -5.780 2.559 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.212 -4.648 3.432 1.00 0.00 C ATOM 1058 C LYS A 69 -3.154 -3.570 3.193 1.00 0.00 C ATOM 1059 O LYS A 69 -2.014 -3.879 2.848 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.306 -5.106 4.889 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.525 -4.491 5.579 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.393 -4.573 7.101 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.615 -5.252 7.722 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.360 -6.696 7.923 1.00 0.00 N ATOM 0 H LYS A 69 -3.173 -6.373 2.851 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.179 -4.203 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.371 -6.193 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.399 -4.821 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.632 -3.450 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.429 -5.011 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.492 -5.128 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.280 -3.571 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.853 -4.783 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.482 -5.116 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.200 -7.141 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.155 -7.143 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.546 -6.820 8.558 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.568 -2.326 3.385 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.670 -1.200 3.194 1.00 0.00 C ATOM 1080 C VAL A 70 -2.890 -0.182 4.315 1.00 0.00 C ATOM 1081 O VAL A 70 -3.926 -0.199 4.979 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.867 -0.604 1.799 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.514 0.885 1.784 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.052 -1.371 0.756 1.00 0.00 C ATOM 0 H VAL A 70 -4.514 -2.073 3.671 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.631 -1.526 3.250 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.921 -0.701 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.663 1.284 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.156 1.418 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.472 1.015 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.210 -0.927 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.994 -1.320 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.371 -2.413 0.739 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.900 0.680 4.492 1.00 0.00 N ATOM 1095 CA VAL A 71 -1.972 1.703 5.521 1.00 0.00 C ATOM 1096 C VAL A 71 -1.275 2.970 5.023 1.00 0.00 C ATOM 1097 O VAL A 71 -0.468 2.916 4.096 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.384 1.171 6.829 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -1.731 -0.306 7.026 1.00 0.00 C ATOM 1100 CG2 VAL A 71 0.129 1.390 6.880 1.00 0.00 C ATOM 0 H VAL A 71 -1.043 0.691 3.939 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.010 1.964 5.730 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.831 1.732 7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.301 -0.659 7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.814 -0.424 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.326 -0.888 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.521 1.003 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.601 0.868 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.345 2.456 6.808 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.611 4.082 5.662 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.027 5.361 5.296 1.00 0.00 C ATOM 1112 C ILE A 72 -0.942 6.251 6.537 1.00 0.00 C ATOM 1113 O ILE A 72 -1.573 5.967 7.554 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.802 5.992 4.138 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.335 4.920 3.186 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.949 7.033 3.410 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.243 5.536 2.119 1.00 0.00 C ATOM 0 H ILE A 72 -2.280 4.123 6.431 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.009 5.225 4.931 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.666 6.514 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.501 4.407 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.889 4.170 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.524 7.466 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.661 7.820 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.054 6.556 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.608 4.752 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.089 6.027 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.680 6.268 1.540 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.157 7.312 6.413 1.00 0.00 N ATOM 1130 CA ASP A 73 0.019 8.246 7.512 1.00 0.00 C ATOM 1131 C ASP A 73 -0.923 9.436 7.319 1.00 0.00 C ATOM 1132 O ASP A 73 -1.373 9.703 6.206 1.00 0.00 O ATOM 1133 CB ASP A 73 1.452 8.779 7.558 1.00 0.00 C ATOM 1134 CG ASP A 73 2.505 7.766 8.010 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.350 6.582 7.639 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.441 8.197 8.717 1.00 0.00 O ATOM 0 H ASP A 73 0.364 7.545 5.568 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.199 7.719 8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.721 9.141 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.483 9.637 8.230 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.201 10.138 8.450 1.00 0.00 N ATOM 1142 CA PRO A 74 -2.081 11.294 8.417 1.00 0.00 C ATOM 1143 C PRO A 74 -1.375 12.503 7.798 1.00 0.00 C ATOM 1144 O PRO A 74 -2.027 13.413 7.288 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.488 11.520 9.863 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.463 10.780 10.706 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.686 9.852 9.786 1.00 0.00 C ATOM 0 HA PRO A 74 -2.959 11.137 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.498 12.583 10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.493 11.142 10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.790 11.485 11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.956 10.211 11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.386 10.041 9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.841 8.807 10.055 1.00 0.00 H new ATOM 1155 N PHE A 75 -0.052 12.472 7.863 1.00 0.00 N ATOM 1156 CA PHE A 75 0.749 13.554 7.316 1.00 0.00 C ATOM 1157 C PHE A 75 1.100 13.289 5.851 1.00 0.00 C ATOM 1158 O PHE A 75 1.540 14.192 5.141 1.00 0.00 O ATOM 1159 CB PHE A 75 2.040 13.613 8.135 1.00 0.00 C ATOM 1160 CG PHE A 75 2.302 14.972 8.786 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.445 15.452 9.727 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.392 15.701 8.425 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.688 16.714 10.332 1.00 0.00 C ATOM 1164 CE2 PHE A 75 3.635 16.963 9.030 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.778 17.442 9.970 1.00 0.00 C ATOM 0 H PHE A 75 0.485 11.715 8.286 1.00 0.00 H new ATOM 0 HA PHE A 75 0.193 14.490 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.000 12.851 8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.881 13.364 7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.580 14.873 10.014 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.073 15.320 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.007 17.095 11.079 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.501 17.542 8.743 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.963 18.402 10.430 1.00 0.00 H new ATOM 1175 N SER A 76 0.893 12.046 5.441 1.00 0.00 N ATOM 1176 CA SER A 76 1.182 11.651 4.073 1.00 0.00 C ATOM 1177 C SER A 76 -0.050 11.869 3.194 1.00 0.00 C ATOM 1178 O SER A 76 0.063 11.963 1.973 1.00 0.00 O ATOM 1179 CB SER A 76 1.631 10.190 4.005 1.00 0.00 C ATOM 1180 OG SER A 76 2.873 9.981 4.673 1.00 0.00 O ATOM 0 H SER A 76 0.528 11.299 6.032 1.00 0.00 H new ATOM 0 HA SER A 76 1.998 12.271 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.867 9.555 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.725 9.888 2.962 1.00 0.00 H new ATOM 0 HG SER A 76 3.124 9.036 4.608 1.00 0.00 H new ATOM 1186 N MET A 77 -1.200 11.943 3.849 1.00 0.00 N ATOM 1187 CA MET A 77 -2.452 12.149 3.142 1.00 0.00 C ATOM 1188 C MET A 77 -2.412 13.438 2.319 1.00 0.00 C ATOM 1189 O MET A 77 -2.760 13.437 1.139 1.00 0.00 O ATOM 1190 CB MET A 77 -3.601 12.221 4.149 1.00 0.00 C ATOM 1191 CG MET A 77 -4.802 11.402 3.671 1.00 0.00 C ATOM 1192 SD MET A 77 -5.675 12.288 2.392 1.00 0.00 S ATOM 1193 CE MET A 77 -5.431 11.173 1.019 1.00 0.00 C ATOM 0 H MET A 77 -1.290 11.864 4.862 1.00 0.00 H new ATOM 0 HA MET A 77 -2.605 11.311 2.462 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.265 11.849 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.899 13.260 4.293 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.467 10.437 3.292 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.471 11.201 4.507 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.358 11.084 0.453 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.646 11.561 0.370 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.140 10.192 1.394 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.974 14.536 2.992 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.884 15.829 2.336 1.00 0.00 C ATOM 1205 C PRO A 78 -0.680 15.883 1.393 1.00 0.00 C ATOM 1206 O PRO A 78 -0.421 16.912 0.770 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.798 16.839 3.468 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.376 16.052 4.698 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.554 14.574 4.389 1.00 0.00 C ATOM 0 HA PRO A 78 -2.743 16.038 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.075 17.622 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.759 17.329 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.338 16.267 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.980 16.337 5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.625 14.023 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.302 14.121 5.040 1.00 0.00 H new ATOM 1217 N TYR A 79 0.023 14.763 1.318 1.00 0.00 N ATOM 1218 CA TYR A 79 1.194 14.670 0.462 1.00 0.00 C ATOM 1219 C TYR A 79 0.963 13.674 -0.675 1.00 0.00 C ATOM 1220 O TYR A 79 1.803 13.535 -1.563 1.00 0.00 O ATOM 1221 CB TYR A 79 2.327 14.157 1.352 1.00 0.00 C ATOM 1222 CG TYR A 79 3.626 14.956 1.229 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.271 15.040 0.012 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.153 15.592 2.334 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.494 15.792 -0.105 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.375 16.344 2.218 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.985 16.407 1.004 1.00 0.00 C ATOM 1228 OH TYR A 79 7.140 17.117 0.894 1.00 0.00 O ATOM 0 H TYR A 79 -0.195 13.912 1.836 1.00 0.00 H new ATOM 0 HA TYR A 79 1.420 15.638 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.997 14.178 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.528 13.115 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.859 14.542 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.648 15.526 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.009 15.866 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.798 16.847 3.075 1.00 0.00 H new ATOM 0 HH TYR A 79 7.811 16.580 0.422 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.179 13.006 -0.612 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.531 12.026 -1.626 1.00 0.00 C ATOM 1240 C VAL A 80 -2.036 12.095 -1.895 1.00 0.00 C ATOM 1241 O VAL A 80 -2.669 11.076 -2.166 1.00 0.00 O ATOM 1242 CB VAL A 80 -0.064 10.635 -1.193 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.463 10.565 -1.128 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.689 10.238 0.145 1.00 0.00 C ATOM 0 H VAL A 80 -0.873 13.124 0.126 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.023 12.247 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.400 9.920 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.769 9.566 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.879 10.783 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.830 11.297 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.340 9.245 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.398 10.958 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.775 10.228 0.051 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.565 13.307 -1.811 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.983 13.522 -2.043 1.00 0.00 C ATOM 1256 C ASN A 81 -4.366 12.944 -3.406 1.00 0.00 C ATOM 1257 O ASN A 81 -3.806 13.334 -4.430 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.320 15.014 -2.050 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.918 15.660 -3.377 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -4.740 15.953 -4.229 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -2.610 15.866 -3.504 1.00 0.00 N ATOM 0 H ASN A 81 -2.037 14.150 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.534 13.032 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.389 15.150 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.804 15.511 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.241 16.293 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.976 15.597 -2.752 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.319 12.023 -3.377 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.783 11.387 -4.598 1.00 0.00 C ATOM 1270 C GLY A 82 -4.619 11.119 -5.554 1.00 0.00 C ATOM 1271 O GLY A 82 -4.804 11.091 -6.769 1.00 0.00 O ATOM 0 H GLY A 82 -5.782 11.702 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.283 10.449 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.520 12.024 -5.087 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.446 10.929 -4.968 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.252 10.665 -5.752 1.00 0.00 C ATOM 1277 C ALA A 83 -2.282 9.217 -6.247 1.00 0.00 C ATOM 1278 O ALA A 83 -3.211 8.471 -5.939 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.011 10.968 -4.911 1.00 0.00 C ATOM 0 H ALA A 83 -3.297 10.953 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.217 11.312 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.115 10.770 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.023 12.015 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.009 10.335 -4.024 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.255 8.862 -7.004 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.152 7.517 -7.544 1.00 0.00 C ATOM 1287 C GLU A 84 0.301 7.039 -7.505 1.00 0.00 C ATOM 1288 O GLU A 84 1.127 7.487 -8.298 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.712 7.453 -8.966 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.229 7.650 -8.968 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.690 8.350 -10.248 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.378 7.813 -11.333 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -4.344 9.407 -10.113 1.00 0.00 O ATOM 0 H GLU A 84 -0.486 9.483 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.750 6.850 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.241 8.220 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.466 6.490 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.725 6.683 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.524 8.240 -8.100 1.00 0.00 H new ATOM 1300 N LEU A 85 0.567 6.135 -6.573 1.00 0.00 N ATOM 1301 CA LEU A 85 1.906 5.592 -6.420 1.00 0.00 C ATOM 1302 C LEU A 85 2.198 4.633 -7.576 1.00 0.00 C ATOM 1303 O LEU A 85 1.657 3.529 -7.624 1.00 0.00 O ATOM 1304 CB LEU A 85 2.072 4.957 -5.038 1.00 0.00 C ATOM 1305 CG LEU A 85 3.003 3.745 -4.963 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.453 4.151 -5.234 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.852 3.018 -3.626 1.00 0.00 C ATOM 0 H LEU A 85 -0.121 5.766 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 85 2.648 6.389 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.444 5.719 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.088 4.657 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 85 2.713 3.043 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.094 3.272 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.528 4.589 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.771 4.883 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.525 2.161 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.100 3.699 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.824 2.675 -3.512 1.00 0.00 H new ATOM 1319 N ASP A 86 3.053 5.089 -8.480 1.00 0.00 N ATOM 1320 CA ASP A 86 3.423 4.286 -9.632 1.00 0.00 C ATOM 1321 C ASP A 86 4.749 3.577 -9.350 1.00 0.00 C ATOM 1322 O ASP A 86 5.663 4.167 -8.776 1.00 0.00 O ATOM 1323 CB ASP A 86 3.609 5.158 -10.875 1.00 0.00 C ATOM 1324 CG ASP A 86 2.881 4.665 -12.127 1.00 0.00 C ATOM 1325 OD1 ASP A 86 2.868 3.431 -12.326 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.354 5.533 -12.856 1.00 0.00 O ATOM 0 H ASP A 86 3.500 6.005 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 86 2.624 3.567 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.265 6.167 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.674 5.227 -11.096 1.00 0.00 H new ATOM 1331 N TYR A 87 4.812 2.320 -9.766 1.00 0.00 N ATOM 1332 CA TYR A 87 6.011 1.525 -9.565 1.00 0.00 C ATOM 1333 C TYR A 87 7.012 1.745 -10.701 1.00 0.00 C ATOM 1334 O TYR A 87 6.689 1.531 -11.868 1.00 0.00 O ATOM 1335 CB TYR A 87 5.555 0.064 -9.579 1.00 0.00 C ATOM 1336 CG TYR A 87 6.694 -0.945 -9.418 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.628 -1.097 -10.422 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.787 -1.703 -8.268 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.700 -2.047 -10.270 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.859 -2.652 -8.117 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.763 -2.777 -9.125 1.00 0.00 C ATOM 1342 OH TYR A 87 9.775 -3.674 -8.982 1.00 0.00 O ATOM 0 H TYR A 87 4.052 1.833 -10.241 1.00 0.00 H new ATOM 0 HA TYR A 87 6.503 1.801 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.833 -0.088 -8.777 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.037 -0.135 -10.517 1.00 0.00 H new ATOM 0 HD1 TYR A 87 7.555 -0.504 -11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.056 -1.584 -7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.437 -2.176 -11.048 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.943 -3.252 -7.223 1.00 0.00 H new ATOM 0 HH TYR A 87 9.694 -4.123 -8.114 1.00 0.00 H new ATOM 1352 N VAL A 88 8.208 2.169 -10.319 1.00 0.00 N ATOM 1353 CA VAL A 88 9.258 2.420 -11.291 1.00 0.00 C ATOM 1354 C VAL A 88 10.500 1.608 -10.916 1.00 0.00 C ATOM 1355 O VAL A 88 10.633 1.161 -9.777 1.00 0.00 O ATOM 1356 CB VAL A 88 9.534 3.922 -11.388 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.999 4.189 -11.736 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.599 4.586 -12.401 1.00 0.00 C ATOM 0 H VAL A 88 8.473 2.345 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 88 8.944 2.096 -12.283 1.00 0.00 H new ATOM 0 HB VAL A 88 9.337 4.363 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.168 5.264 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.640 3.766 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.235 3.728 -12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.816 5.653 -12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.750 4.139 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.564 4.440 -12.091 1.00 0.00 H new ATOM 1368 N VAL A 89 11.377 1.440 -11.895 1.00 0.00 N ATOM 1369 CA VAL A 89 12.602 0.690 -11.681 1.00 0.00 C ATOM 1370 C VAL A 89 13.804 1.612 -11.895 1.00 0.00 C ATOM 1371 O VAL A 89 13.903 2.281 -12.923 1.00 0.00 O ATOM 1372 CB VAL A 89 12.626 -0.542 -12.588 1.00 0.00 C ATOM 1373 CG1 VAL A 89 13.861 -1.402 -12.312 1.00 0.00 C ATOM 1374 CG2 VAL A 89 11.342 -1.360 -12.435 1.00 0.00 C ATOM 0 H VAL A 89 11.263 1.811 -12.838 1.00 0.00 H new ATOM 0 HA VAL A 89 12.651 0.324 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 89 12.682 -0.197 -13.621 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.854 -2.271 -12.970 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.761 -0.815 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.849 -1.733 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.385 -2.230 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.241 -1.689 -11.401 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.484 -0.744 -12.705 1.00 0.00 H new ATOM 1384 N ASP A 90 14.687 1.620 -10.907 1.00 0.00 N ATOM 1385 CA ASP A 90 15.878 2.449 -10.973 1.00 0.00 C ATOM 1386 C ASP A 90 16.877 1.986 -9.911 1.00 0.00 C ATOM 1387 O ASP A 90 16.777 0.870 -9.405 1.00 0.00 O ATOM 1388 CB ASP A 90 15.543 3.917 -10.700 1.00 0.00 C ATOM 1389 CG ASP A 90 14.479 4.520 -11.619 1.00 0.00 C ATOM 1390 OD1 ASP A 90 14.725 4.525 -12.845 1.00 0.00 O ATOM 1391 OD2 ASP A 90 13.444 4.961 -11.076 1.00 0.00 O ATOM 0 H ASP A 90 14.601 1.065 -10.056 1.00 0.00 H new ATOM 0 HA ASP A 90 16.299 2.355 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.205 4.011 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.456 4.505 -10.791 1.00 0.00 H new ATOM 1396 N PHE A 91 17.817 2.868 -9.604 1.00 0.00 N ATOM 1397 CA PHE A 91 18.833 2.564 -8.611 1.00 0.00 C ATOM 1398 C PHE A 91 19.251 1.094 -8.687 1.00 0.00 C ATOM 1399 O PHE A 91 19.370 0.534 -9.776 1.00 0.00 O ATOM 1400 CB PHE A 91 18.213 2.836 -7.239 1.00 0.00 C ATOM 1401 CG PHE A 91 19.224 3.263 -6.173 1.00 0.00 C ATOM 1402 CD1 PHE A 91 20.100 4.271 -6.432 1.00 0.00 C ATOM 1403 CD2 PHE A 91 19.246 2.635 -4.967 1.00 0.00 C ATOM 1404 CE1 PHE A 91 21.038 4.667 -5.443 1.00 0.00 C ATOM 1405 CE2 PHE A 91 20.185 3.032 -3.978 1.00 0.00 C ATOM 1406 CZ PHE A 91 21.061 4.039 -4.236 1.00 0.00 C ATOM 0 H PHE A 91 17.896 3.793 -10.026 1.00 0.00 H new ATOM 0 HA PHE A 91 19.719 3.175 -8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.457 3.615 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 91 17.700 1.937 -6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 91 20.082 4.770 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 91 18.550 1.835 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.734 5.467 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 91 20.203 2.533 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 91 21.775 4.340 -3.484 1.00 0.00 H new ATOM 1416 N MET A 92 19.462 0.511 -7.516 1.00 0.00 N ATOM 1417 CA MET A 92 19.864 -0.883 -7.436 1.00 0.00 C ATOM 1418 C MET A 92 18.672 -1.812 -7.674 1.00 0.00 C ATOM 1419 O MET A 92 18.843 -3.020 -7.832 1.00 0.00 O ATOM 1420 CB MET A 92 20.462 -1.163 -6.056 1.00 0.00 C ATOM 1421 CG MET A 92 19.428 -0.934 -4.953 1.00 0.00 C ATOM 1422 SD MET A 92 19.687 -2.094 -3.622 1.00 0.00 S ATOM 1423 CE MET A 92 18.668 -1.350 -2.359 1.00 0.00 C ATOM 0 H MET A 92 19.362 0.979 -6.615 1.00 0.00 H new ATOM 0 HA MET A 92 20.608 -1.072 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 92 20.822 -2.191 -6.014 1.00 0.00 H new ATOM 0 HB3 MET A 92 21.324 -0.516 -5.891 1.00 0.00 H new ATOM 0 HG2 MET A 92 19.505 0.086 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 92 18.422 -1.050 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 92 18.715 -1.952 -1.452 1.00 0.00 H new ATOM 0 HE2 MET A 92 19.029 -0.344 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 92 17.636 -1.299 -2.707 1.00 0.00 H new ATOM 1433 N GLY A 93 17.490 -1.213 -7.692 1.00 0.00 N ATOM 1434 CA GLY A 93 16.270 -1.972 -7.908 1.00 0.00 C ATOM 1435 C GLY A 93 15.125 -1.056 -8.347 1.00 0.00 C ATOM 1436 O GLY A 93 15.018 -0.709 -9.522 1.00 0.00 O ATOM 0 H GLY A 93 17.351 -0.211 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.442 -2.735 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.993 -2.492 -6.991 1.00 0.00 H new ATOM 1440 N GLY A 94 14.298 -0.691 -7.378 1.00 0.00 N ATOM 1441 CA GLY A 94 13.165 0.178 -7.649 1.00 0.00 C ATOM 1442 C GLY A 94 11.848 -0.506 -7.277 1.00 0.00 C ATOM 1443 O GLY A 94 11.849 -1.619 -6.753 1.00 0.00 O ATOM 0 H GLY A 94 14.390 -0.981 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.270 1.105 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.153 0.448 -8.705 1.00 0.00 H new ATOM 1447 N GLY A 95 10.757 0.189 -7.561 1.00 0.00 N ATOM 1448 CA GLY A 95 9.436 -0.338 -7.263 1.00 0.00 C ATOM 1449 C GLY A 95 8.609 0.674 -6.466 1.00 0.00 C ATOM 1450 O GLY A 95 7.454 0.413 -6.133 1.00 0.00 O ATOM 0 H GLY A 95 10.760 1.112 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.921 -0.584 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.529 -1.264 -6.696 1.00 0.00 H new ATOM 1454 N PHE A 96 9.233 1.808 -6.184 1.00 0.00 N ATOM 1455 CA PHE A 96 8.570 2.860 -5.433 1.00 0.00 C ATOM 1456 C PHE A 96 8.703 4.209 -6.144 1.00 0.00 C ATOM 1457 O PHE A 96 9.779 4.804 -6.157 1.00 0.00 O ATOM 1458 CB PHE A 96 9.264 2.945 -4.072 1.00 0.00 C ATOM 1459 CG PHE A 96 10.792 2.986 -4.154 1.00 0.00 C ATOM 1460 CD1 PHE A 96 11.480 1.892 -4.578 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.461 4.117 -3.804 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.897 1.930 -4.654 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.879 4.155 -3.881 1.00 0.00 C ATOM 1464 CZ PHE A 96 13.567 3.061 -4.304 1.00 0.00 C ATOM 0 H PHE A 96 10.191 2.021 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 96 7.508 2.633 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.914 3.837 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.966 2.087 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.948 0.994 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.915 4.986 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.443 1.061 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.411 5.053 -3.603 1.00 0.00 H new ATOM 0 HZ PHE A 96 14.645 3.090 -4.362 1.00 0.00 H new ATOM 1474 N THR A 97 7.593 4.650 -6.718 1.00 0.00 N ATOM 1475 CA THR A 97 7.572 5.917 -7.429 1.00 0.00 C ATOM 1476 C THR A 97 6.188 6.563 -7.328 1.00 0.00 C ATOM 1477 O THR A 97 5.185 5.868 -7.178 1.00 0.00 O ATOM 1478 CB THR A 97 8.017 5.658 -8.870 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.422 5.896 -8.847 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.478 6.705 -9.847 1.00 0.00 C ATOM 0 H THR A 97 6.702 4.153 -6.705 1.00 0.00 H new ATOM 0 HA THR A 97 8.263 6.632 -6.983 1.00 0.00 H new ATOM 0 HB THR A 97 7.684 4.667 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.786 5.625 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.823 6.474 -10.855 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.388 6.695 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.838 7.692 -9.557 1.00 0.00 H new ATOM 1488 N ILE A 98 6.180 7.885 -7.413 1.00 0.00 N ATOM 1489 CA ILE A 98 4.936 8.632 -7.333 1.00 0.00 C ATOM 1490 C ILE A 98 4.859 9.613 -8.505 1.00 0.00 C ATOM 1491 O ILE A 98 5.757 10.431 -8.694 1.00 0.00 O ATOM 1492 CB ILE A 98 4.800 9.299 -5.963 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.359 9.753 -5.715 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.797 10.449 -5.811 1.00 0.00 C ATOM 1495 CD1 ILE A 98 2.495 8.591 -5.223 1.00 0.00 C ATOM 0 H ILE A 98 7.015 8.458 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 98 4.082 7.961 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 98 5.042 8.561 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.349 10.556 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.939 10.159 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.679 10.906 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.812 10.066 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.611 11.196 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.476 8.941 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.488 7.800 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.904 8.203 -4.290 1.00 0.00 H new ATOM 1507 N ARG A 99 3.777 9.497 -9.261 1.00 0.00 N ATOM 1508 CA ARG A 99 3.570 10.363 -10.409 1.00 0.00 C ATOM 1509 C ARG A 99 2.336 11.242 -10.196 1.00 0.00 C ATOM 1510 O ARG A 99 1.211 10.808 -10.438 1.00 0.00 O ATOM 1511 CB ARG A 99 3.391 9.546 -11.690 1.00 0.00 C ATOM 1512 CG ARG A 99 4.515 9.836 -12.687 1.00 0.00 C ATOM 1513 CD ARG A 99 4.110 10.940 -13.665 1.00 0.00 C ATOM 1514 NE ARG A 99 5.009 12.106 -13.514 1.00 0.00 N ATOM 1515 CZ ARG A 99 4.688 13.355 -13.876 1.00 0.00 C ATOM 1516 NH1 ARG A 99 3.487 13.608 -14.414 1.00 0.00 N ATOM 1517 NH2 ARG A 99 5.567 14.351 -13.702 1.00 0.00 N ATOM 0 H ARG A 99 3.034 8.816 -9.101 1.00 0.00 H new ATOM 0 HA ARG A 99 4.454 10.992 -10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.379 8.483 -11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.428 9.781 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.415 10.134 -12.149 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.759 8.928 -13.239 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.155 10.566 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.078 11.240 -13.481 1.00 0.00 H new ATOM 0 HE ARG A 99 5.932 11.948 -13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.818 12.850 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.242 14.559 -14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.482 14.158 -13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.322 15.302 -13.978 1.00 0.00 H new ATOM 1531 N ASN A 100 2.589 12.462 -9.745 1.00 0.00 N ATOM 1532 CA ASN A 100 1.512 13.406 -9.496 1.00 0.00 C ATOM 1533 C ASN A 100 1.156 14.122 -10.800 1.00 0.00 C ATOM 1534 O ASN A 100 1.989 14.231 -11.700 1.00 0.00 O ATOM 1535 CB ASN A 100 1.932 14.464 -8.475 1.00 0.00 C ATOM 1536 CG ASN A 100 1.697 13.971 -7.045 1.00 0.00 C ATOM 1537 OD1 ASN A 100 1.298 12.843 -6.808 1.00 0.00 O ATOM 1538 ND2 ASN A 100 1.966 14.877 -6.109 1.00 0.00 N ATOM 0 H ASN A 100 3.524 12.819 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 100 0.659 12.850 -9.108 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.986 14.707 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.369 15.382 -8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.841 14.645 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.297 15.804 -6.377 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.114 14.604 -10.863 1.00 0.00 N ATOM 1546 CA PRO A 101 -0.590 15.307 -12.043 1.00 0.00 C ATOM 1547 C PRO A 101 -0.012 16.723 -12.108 1.00 0.00 C ATOM 1548 O PRO A 101 -0.413 17.596 -11.340 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.105 15.289 -11.927 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.408 14.990 -10.467 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.126 14.493 -9.818 1.00 0.00 C ATOM 0 HA PRO A 101 -0.269 14.835 -12.972 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.531 16.247 -12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.538 14.530 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.770 15.885 -9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.193 14.238 -10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.864 15.095 -8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.229 13.464 -9.475 1.00 0.00 H new TER 1559 PRO A 101