USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 658 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 34 GLN : amide:sc= 0.77 K(o=1.5,f=-4) USER MOD Set 1.2: A 38 ASN : amide:sc= 0.935 K(o=1.5,f=-4) USER MOD Set 1.3: A 48 LYS NZ :NH3+ -120:sc= -0.163 (180deg=-0.747) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.384 X(o=-0.3,f=-0.092) USER MOD Set 2.2: A 12 LYS NZ :NH3+ -112:sc= 0.0855 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.06) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot -161:sc= 1.22 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 168:sc= -0.0672 (180deg=-0.297) USER MOD Single : A 21 HIS : no HE2:sc= 0.989 K(o=0.99,f=-6.2!) USER MOD Single : A 27 HIS : no HE2:sc= 0.683 K(o=0.68,f=-5.6!) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.031) USER MOD Single : A 42 SER OG : rot 72:sc= 0.142 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.731) USER MOD Single : A 57 GLN : amide:sc= -0.374 K(o=-0.37,f=-0.92) USER MOD Single : A 59 TYR OH : rot 86:sc= 0.259 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0787 K(o=-0.079,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.139 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.208 F(o=-1.9,f=-0.21) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.610 5.669 -3.672 1.00 0.00 N ATOM 11 CA ILE A 3 -8.185 5.934 -3.610 1.00 0.00 C ATOM 12 C ILE A 3 -7.729 7.199 -4.367 1.00 0.00 C ATOM 13 O ILE A 3 -6.820 7.891 -3.911 1.00 0.00 O ATOM 14 CB ILE A 3 -7.328 4.684 -3.995 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.838 4.943 -3.728 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.544 4.283 -5.454 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.967 3.734 -3.929 1.00 0.00 C ATOM 0 HA ILE A 3 -7.998 6.153 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.658 3.856 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.494 5.741 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.718 5.300 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.933 3.411 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.595 4.042 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.259 5.110 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.929 3.995 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.284 2.941 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.056 3.389 -4.959 1.00 0.00 H new ATOM 29 N LYS A 4 -8.393 7.547 -5.466 1.00 0.00 N ATOM 30 CA LYS A 4 -7.949 8.701 -6.285 1.00 0.00 C ATOM 31 C LYS A 4 -8.021 10.047 -5.573 1.00 0.00 C ATOM 32 O LYS A 4 -7.406 11.014 -6.013 1.00 0.00 O ATOM 33 CB LYS A 4 -8.635 8.794 -7.664 1.00 0.00 C ATOM 34 CG LYS A 4 -8.059 7.869 -8.733 1.00 0.00 C ATOM 35 CD LYS A 4 -8.488 6.426 -8.588 1.00 0.00 C ATOM 36 CE LYS A 4 -9.917 6.230 -9.066 1.00 0.00 C ATOM 37 NZ LYS A 4 -10.297 4.817 -9.057 1.00 0.00 N ATOM 0 H LYS A 4 -9.223 7.067 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.895 8.481 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.695 8.569 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.566 9.822 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.362 8.231 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.971 7.920 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.818 5.785 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.405 6.122 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.596 6.794 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.022 6.630 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.310 4.729 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.744 4.304 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.108 4.413 -8.118 1.00 0.00 H new ATOM 51 N GLN A 5 -8.739 10.107 -4.486 1.00 0.00 N ATOM 52 CA GLN A 5 -8.878 11.359 -3.757 1.00 0.00 C ATOM 53 C GLN A 5 -7.801 11.546 -2.696 1.00 0.00 C ATOM 54 O GLN A 5 -7.731 12.605 -2.062 1.00 0.00 O ATOM 55 CB GLN A 5 -10.252 11.476 -3.133 1.00 0.00 C ATOM 56 CG GLN A 5 -10.585 10.364 -2.174 1.00 0.00 C ATOM 57 CD GLN A 5 -11.989 10.453 -1.701 1.00 0.00 C ATOM 58 OE1 GLN A 5 -12.292 11.072 -0.677 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.860 9.884 -2.464 1.00 0.00 N ATOM 0 H GLN A 5 -9.238 9.316 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.751 12.155 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.321 12.428 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.000 11.494 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.425 9.402 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.909 10.405 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.557 9.384 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.852 9.934 -2.231 1.00 0.00 H new ATOM 68 N TYR A 6 -6.990 10.544 -2.464 1.00 0.00 N ATOM 69 CA TYR A 6 -5.932 10.700 -1.484 1.00 0.00 C ATOM 70 C TYR A 6 -4.731 11.356 -2.114 1.00 0.00 C ATOM 71 O TYR A 6 -4.339 11.014 -3.234 1.00 0.00 O ATOM 72 CB TYR A 6 -5.530 9.378 -0.851 1.00 0.00 C ATOM 73 CG TYR A 6 -6.654 8.671 -0.144 1.00 0.00 C ATOM 74 CD1 TYR A 6 -7.225 9.199 1.002 1.00 0.00 C ATOM 75 CD2 TYR A 6 -7.138 7.477 -0.619 1.00 0.00 C ATOM 76 CE1 TYR A 6 -8.251 8.554 1.644 1.00 0.00 C ATOM 77 CE2 TYR A 6 -8.158 6.821 0.014 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.715 7.364 1.149 1.00 0.00 C ATOM 79 OH TYR A 6 -9.759 6.734 1.777 1.00 0.00 O ATOM 0 H TYR A 6 -7.034 9.634 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.322 11.336 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.132 8.722 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.723 9.558 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.856 10.134 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.705 7.047 -1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.690 8.981 2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -8.524 5.882 -0.375 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.777 5.790 1.515 1.00 0.00 H new ATOM 89 N SER A 7 -4.182 12.326 -1.434 1.00 0.00 N ATOM 90 CA SER A 7 -3.004 13.004 -1.910 1.00 0.00 C ATOM 91 C SER A 7 -1.752 12.153 -1.684 1.00 0.00 C ATOM 92 O SER A 7 -1.808 11.082 -1.055 1.00 0.00 O ATOM 93 CB SER A 7 -2.883 14.368 -1.254 1.00 0.00 C ATOM 94 OG SER A 7 -4.002 15.176 -1.578 1.00 0.00 O ATOM 0 H SER A 7 -4.535 12.668 -0.540 1.00 0.00 H new ATOM 0 HA SER A 7 -3.098 13.156 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.811 14.253 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.966 14.857 -1.584 1.00 0.00 H new ATOM 0 HG SER A 7 -3.910 16.051 -1.146 1.00 0.00 H new ATOM 100 N GLN A 8 -0.640 12.641 -2.164 1.00 0.00 N ATOM 101 CA GLN A 8 0.596 11.909 -2.164 1.00 0.00 C ATOM 102 C GLN A 8 1.098 11.653 -0.732 1.00 0.00 C ATOM 103 O GLN A 8 1.354 10.511 -0.352 1.00 0.00 O ATOM 104 CB GLN A 8 1.619 12.691 -2.962 1.00 0.00 C ATOM 105 CG GLN A 8 2.877 11.944 -3.229 1.00 0.00 C ATOM 106 CD GLN A 8 3.898 12.773 -3.984 1.00 0.00 C ATOM 107 OE1 GLN A 8 4.723 13.460 -3.385 1.00 0.00 O ATOM 108 NE2 GLN A 8 3.806 12.773 -5.290 1.00 0.00 N ATOM 0 H GLN A 8 -0.567 13.573 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 8 0.436 10.933 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.175 12.986 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.860 13.608 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.308 11.616 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.647 11.046 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.109 12.189 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.432 13.356 -5.845 1.00 0.00 H new ATOM 117 N GLU A 9 1.180 12.714 0.046 1.00 0.00 N ATOM 118 CA GLU A 9 1.668 12.682 1.426 1.00 0.00 C ATOM 119 C GLU A 9 0.747 11.832 2.281 1.00 0.00 C ATOM 120 O GLU A 9 1.196 11.109 3.150 1.00 0.00 O ATOM 121 CB GLU A 9 1.736 14.094 2.041 1.00 0.00 C ATOM 122 CG GLU A 9 2.144 15.216 1.094 1.00 0.00 C ATOM 123 CD GLU A 9 0.986 15.701 0.247 1.00 0.00 C ATOM 124 OE1 GLU A 9 0.241 16.601 0.712 1.00 0.00 O ATOM 125 OE2 GLU A 9 0.769 15.169 -0.851 1.00 0.00 O ATOM 0 H GLU A 9 0.905 13.647 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 9 2.672 12.259 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.758 14.335 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.440 14.073 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.543 16.050 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.946 14.866 0.444 1.00 0.00 H new ATOM 132 N GLU A 10 -0.545 11.929 1.989 1.00 0.00 N ATOM 133 CA GLU A 10 -1.602 11.160 2.659 1.00 0.00 C ATOM 134 C GLU A 10 -1.264 9.675 2.634 1.00 0.00 C ATOM 135 O GLU A 10 -1.211 9.006 3.667 1.00 0.00 O ATOM 136 CB GLU A 10 -2.908 11.386 1.895 1.00 0.00 C ATOM 137 CG GLU A 10 -4.101 10.575 2.382 1.00 0.00 C ATOM 138 CD GLU A 10 -4.555 10.931 3.773 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.390 11.825 3.913 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.124 10.299 4.742 1.00 0.00 O ATOM 0 H GLU A 10 -0.900 12.555 1.266 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.696 11.484 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.163 12.444 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.738 11.154 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.932 10.719 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.844 9.516 2.354 1.00 0.00 H new ATOM 147 N LEU A 11 -1.000 9.191 1.444 1.00 0.00 N ATOM 148 CA LEU A 11 -0.669 7.806 1.213 1.00 0.00 C ATOM 149 C LEU A 11 0.701 7.452 1.791 1.00 0.00 C ATOM 150 O LEU A 11 0.943 6.322 2.169 1.00 0.00 O ATOM 151 CB LEU A 11 -0.721 7.527 -0.279 1.00 0.00 C ATOM 152 CG LEU A 11 -2.080 7.761 -0.944 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.957 7.657 -2.445 1.00 0.00 C ATOM 154 CD2 LEU A 11 -3.107 6.761 -0.427 1.00 0.00 C ATOM 0 H LEU A 11 -1.009 9.758 0.596 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.398 7.178 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.020 8.154 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.426 6.491 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.418 8.766 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.932 7.826 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.252 8.407 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.598 6.663 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.067 6.942 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.773 5.748 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.216 6.876 0.651 1.00 0.00 H new ATOM 166 N LYS A 12 1.572 8.435 1.879 1.00 0.00 N ATOM 167 CA LYS A 12 2.917 8.240 2.407 1.00 0.00 C ATOM 168 C LYS A 12 2.947 7.990 3.911 1.00 0.00 C ATOM 169 O LYS A 12 3.894 7.409 4.418 1.00 0.00 O ATOM 170 CB LYS A 12 3.830 9.409 2.049 1.00 0.00 C ATOM 171 CG LYS A 12 4.273 9.426 0.608 1.00 0.00 C ATOM 172 CD LYS A 12 5.212 10.578 0.352 1.00 0.00 C ATOM 173 CE LYS A 12 5.711 10.571 -1.066 1.00 0.00 C ATOM 174 NZ LYS A 12 6.580 11.714 -1.350 1.00 0.00 N ATOM 0 H LYS A 12 1.374 9.392 1.589 1.00 0.00 H new ATOM 0 HA LYS A 12 3.291 7.335 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.311 10.342 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.712 9.376 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.768 8.486 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.403 9.508 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.701 11.519 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.057 10.520 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.257 9.646 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.861 10.584 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.105 12.353 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.781 12.225 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.472 11.377 -1.766 1.00 0.00 H new ATOM 188 N GLU A 13 1.900 8.351 4.604 1.00 0.00 N ATOM 189 CA GLU A 13 1.872 8.206 6.048 1.00 0.00 C ATOM 190 C GLU A 13 0.809 7.202 6.390 1.00 0.00 C ATOM 191 O GLU A 13 0.236 7.172 7.490 1.00 0.00 O ATOM 192 CB GLU A 13 1.653 9.568 6.726 1.00 0.00 C ATOM 193 CG GLU A 13 0.423 10.329 6.266 1.00 0.00 C ATOM 194 CD GLU A 13 0.320 11.686 6.911 1.00 0.00 C ATOM 195 OE1 GLU A 13 1.058 12.594 6.528 1.00 0.00 O ATOM 196 OE2 GLU A 13 -0.520 11.873 7.817 1.00 0.00 O ATOM 0 H GLU A 13 1.052 8.748 4.199 1.00 0.00 H new ATOM 0 HA GLU A 13 2.828 7.841 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.583 9.413 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.531 10.189 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.454 10.445 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.470 9.749 6.500 1.00 0.00 H new ATOM 203 N MET A 14 0.630 6.332 5.447 1.00 0.00 N ATOM 204 CA MET A 14 -0.354 5.320 5.455 1.00 0.00 C ATOM 205 C MET A 14 0.329 4.063 4.915 1.00 0.00 C ATOM 206 O MET A 14 1.149 4.163 3.998 1.00 0.00 O ATOM 207 CB MET A 14 -1.467 5.810 4.525 1.00 0.00 C ATOM 208 CG MET A 14 -2.694 4.969 4.461 1.00 0.00 C ATOM 209 SD MET A 14 -4.003 5.760 3.482 1.00 0.00 S ATOM 210 CE MET A 14 -5.333 4.570 3.653 1.00 0.00 C ATOM 0 H MET A 14 1.206 6.317 4.605 1.00 0.00 H new ATOM 0 HA MET A 14 -0.777 5.102 6.436 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.756 6.813 4.837 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.058 5.895 3.518 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.449 4.001 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.059 4.781 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.263 5.009 3.291 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.101 3.679 3.070 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.445 4.298 4.702 1.00 0.00 H new ATOM 220 N ALA A 15 0.044 2.909 5.482 1.00 0.00 N ATOM 221 CA ALA A 15 0.700 1.681 5.051 1.00 0.00 C ATOM 222 C ALA A 15 0.196 1.294 3.679 1.00 0.00 C ATOM 223 O ALA A 15 -0.966 1.558 3.342 1.00 0.00 O ATOM 224 CB ALA A 15 0.466 0.556 6.051 1.00 0.00 C ATOM 0 H ALA A 15 -0.631 2.790 6.237 1.00 0.00 H new ATOM 0 HA ALA A 15 1.775 1.855 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.966 -0.348 5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.868 0.844 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.604 0.367 6.142 1.00 0.00 H new ATOM 230 N LEU A 16 1.030 0.649 2.883 1.00 0.00 N ATOM 231 CA LEU A 16 0.633 0.326 1.519 1.00 0.00 C ATOM 232 C LEU A 16 -0.474 -0.721 1.474 1.00 0.00 C ATOM 233 O LEU A 16 -1.187 -0.819 0.485 1.00 0.00 O ATOM 234 CB LEU A 16 1.812 -0.018 0.566 1.00 0.00 C ATOM 235 CG LEU A 16 2.509 -1.384 0.696 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.554 -1.534 -0.393 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.152 -1.564 2.053 1.00 0.00 C ATOM 0 H LEU A 16 1.967 0.343 3.146 1.00 0.00 H new ATOM 0 HA LEU A 16 0.221 1.254 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.443 0.066 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.573 0.752 0.694 1.00 0.00 H new ATOM 0 HG LEU A 16 1.747 -2.156 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.044 -2.503 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.074 -1.466 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.296 -0.741 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.632 -2.541 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.898 -0.785 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.389 -1.496 2.829 1.00 0.00 H new ATOM 249 N VAL A 17 -0.644 -1.477 2.555 1.00 0.00 N ATOM 250 CA VAL A 17 -1.752 -2.416 2.639 1.00 0.00 C ATOM 251 C VAL A 17 -3.070 -1.638 2.772 1.00 0.00 C ATOM 252 O VAL A 17 -4.099 -2.036 2.233 1.00 0.00 O ATOM 253 CB VAL A 17 -1.587 -3.442 3.803 1.00 0.00 C ATOM 254 CG1 VAL A 17 -1.673 -2.782 5.175 1.00 0.00 C ATOM 255 CG2 VAL A 17 -2.588 -4.571 3.674 1.00 0.00 C ATOM 0 H VAL A 17 -0.036 -1.457 3.374 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.763 -3.002 1.720 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.585 -3.862 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.552 -3.538 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.884 -2.036 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.644 -2.300 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.453 -5.273 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.599 -4.166 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.433 -5.088 2.727 1.00 0.00 H new ATOM 265 N GLU A 18 -3.001 -0.488 3.431 1.00 0.00 N ATOM 266 CA GLU A 18 -4.149 0.368 3.601 1.00 0.00 C ATOM 267 C GLU A 18 -4.446 1.033 2.273 1.00 0.00 C ATOM 268 O GLU A 18 -5.583 1.151 1.875 1.00 0.00 O ATOM 269 CB GLU A 18 -3.877 1.424 4.657 1.00 0.00 C ATOM 270 CG GLU A 18 -3.527 0.882 6.026 1.00 0.00 C ATOM 271 CD GLU A 18 -3.245 1.989 7.003 1.00 0.00 C ATOM 272 OE1 GLU A 18 -2.102 2.466 7.064 1.00 0.00 O ATOM 273 OE2 GLU A 18 -4.171 2.415 7.713 1.00 0.00 O ATOM 0 H GLU A 18 -2.146 -0.131 3.858 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.003 -0.225 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.060 2.058 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.757 2.060 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.349 0.269 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.655 0.233 5.949 1.00 0.00 H new ATOM 280 N ILE A 19 -3.386 1.428 1.580 1.00 0.00 N ATOM 281 CA ILE A 19 -3.500 2.019 0.250 1.00 0.00 C ATOM 282 C ILE A 19 -4.146 1.001 -0.709 1.00 0.00 C ATOM 283 O ILE A 19 -5.051 1.333 -1.483 1.00 0.00 O ATOM 284 CB ILE A 19 -2.105 2.444 -0.290 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.425 3.417 0.685 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.233 3.079 -1.675 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.028 3.830 0.270 1.00 0.00 C ATOM 0 H ILE A 19 -2.428 1.349 1.920 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.125 2.910 0.316 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.486 1.551 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.043 4.310 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.378 2.954 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.246 3.369 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.674 2.360 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.871 3.961 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.383 4.517 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.607 2.947 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.068 4.324 -0.701 1.00 0.00 H new ATOM 299 N ALA A 20 -3.690 -0.244 -0.620 1.00 0.00 N ATOM 300 CA ALA A 20 -4.241 -1.327 -1.412 1.00 0.00 C ATOM 301 C ALA A 20 -5.705 -1.551 -1.043 1.00 0.00 C ATOM 302 O ALA A 20 -6.544 -1.766 -1.902 1.00 0.00 O ATOM 303 CB ALA A 20 -3.430 -2.598 -1.210 1.00 0.00 C ATOM 0 H ALA A 20 -2.932 -0.525 0.001 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.188 -1.057 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.856 -3.401 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.398 -2.424 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.453 -2.881 -0.158 1.00 0.00 H new ATOM 309 N HIS A 21 -5.996 -1.464 0.241 1.00 0.00 N ATOM 310 CA HIS A 21 -7.356 -1.578 0.768 1.00 0.00 C ATOM 311 C HIS A 21 -8.294 -0.582 0.075 1.00 0.00 C ATOM 312 O HIS A 21 -9.403 -0.943 -0.313 1.00 0.00 O ATOM 313 CB HIS A 21 -7.326 -1.338 2.287 1.00 0.00 C ATOM 314 CG HIS A 21 -8.662 -1.213 2.959 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.235 -0.006 3.257 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.509 -2.145 3.425 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.361 -0.190 3.876 1.00 0.00 C ATOM 318 NE2 HIS A 21 -10.557 -1.486 3.992 1.00 0.00 N ATOM 0 H HIS A 21 -5.291 -1.310 0.962 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.738 -2.579 0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -6.782 -2.159 2.754 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -6.758 -0.428 2.480 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.836 0.904 3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.383 -3.216 3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.022 0.586 4.234 1.00 0.00 H new ATOM 327 N GLU A 22 -7.824 0.641 -0.099 1.00 0.00 N ATOM 328 CA GLU A 22 -8.603 1.694 -0.748 1.00 0.00 C ATOM 329 C GLU A 22 -8.835 1.344 -2.206 1.00 0.00 C ATOM 330 O GLU A 22 -9.944 1.483 -2.729 1.00 0.00 O ATOM 331 CB GLU A 22 -7.865 3.026 -0.665 1.00 0.00 C ATOM 332 CG GLU A 22 -7.436 3.404 0.738 1.00 0.00 C ATOM 333 CD GLU A 22 -8.558 3.313 1.733 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.426 4.192 1.743 1.00 0.00 O ATOM 335 OE2 GLU A 22 -8.582 2.371 2.525 1.00 0.00 O ATOM 0 H GLU A 22 -6.896 0.937 0.203 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.561 1.780 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.983 2.982 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.508 3.812 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.623 2.750 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.043 4.421 0.732 1.00 0.00 H new ATOM 342 N LEU A 23 -7.776 0.870 -2.839 1.00 0.00 N ATOM 343 CA LEU A 23 -7.784 0.445 -4.231 1.00 0.00 C ATOM 344 C LEU A 23 -8.863 -0.632 -4.421 1.00 0.00 C ATOM 345 O LEU A 23 -9.762 -0.508 -5.272 1.00 0.00 O ATOM 346 CB LEU A 23 -6.359 -0.088 -4.573 1.00 0.00 C ATOM 347 CG LEU A 23 -6.033 -0.558 -6.008 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.372 0.514 -7.024 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.545 -0.847 -6.082 1.00 0.00 C ATOM 0 H LEU A 23 -6.866 0.767 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.022 1.269 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.649 0.700 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.157 -0.925 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.623 -1.446 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.132 0.155 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.435 0.746 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.793 1.413 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.289 -1.181 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.986 0.059 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.290 -1.627 -5.364 1.00 0.00 H new ATOM 361 N PHE A 24 -8.836 -1.615 -3.571 1.00 0.00 N ATOM 362 CA PHE A 24 -9.760 -2.715 -3.652 1.00 0.00 C ATOM 363 C PHE A 24 -11.189 -2.367 -3.232 1.00 0.00 C ATOM 364 O PHE A 24 -12.127 -2.796 -3.886 1.00 0.00 O ATOM 365 CB PHE A 24 -9.218 -3.943 -2.955 1.00 0.00 C ATOM 366 CG PHE A 24 -8.096 -4.567 -3.713 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.353 -5.519 -4.655 1.00 0.00 C ATOM 368 CD2 PHE A 24 -6.795 -4.191 -3.497 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.341 -6.093 -5.370 1.00 0.00 C ATOM 370 CE2 PHE A 24 -5.771 -4.757 -4.205 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.048 -5.715 -5.147 1.00 0.00 C ATOM 0 H PHE A 24 -8.173 -1.680 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.849 -2.956 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.874 -3.671 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.019 -4.671 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.373 -5.824 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.576 -3.436 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.563 -6.846 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.751 -4.452 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.246 -6.169 -5.710 1.00 0.00 H new ATOM 381 N GLU A 25 -11.374 -1.596 -2.170 1.00 0.00 N ATOM 382 CA GLU A 25 -12.741 -1.186 -1.784 1.00 0.00 C ATOM 383 C GLU A 25 -13.392 -0.295 -2.811 1.00 0.00 C ATOM 384 O GLU A 25 -14.591 -0.370 -3.017 1.00 0.00 O ATOM 385 CB GLU A 25 -12.861 -0.537 -0.405 1.00 0.00 C ATOM 386 CG GLU A 25 -12.839 -1.507 0.747 1.00 0.00 C ATOM 387 CD GLU A 25 -13.745 -1.064 1.861 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.963 -1.348 1.788 1.00 0.00 O ATOM 389 OE2 GLU A 25 -13.281 -0.433 2.815 1.00 0.00 O ATOM 0 H GLU A 25 -10.629 -1.244 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.274 -2.135 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.044 0.174 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.789 0.033 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.145 -2.493 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.820 -1.604 1.122 1.00 0.00 H new ATOM 396 N GLU A 26 -12.622 0.528 -3.458 1.00 0.00 N ATOM 397 CA GLU A 26 -13.168 1.412 -4.453 1.00 0.00 C ATOM 398 C GLU A 26 -13.618 0.631 -5.696 1.00 0.00 C ATOM 399 O GLU A 26 -14.659 0.919 -6.277 1.00 0.00 O ATOM 400 CB GLU A 26 -12.143 2.483 -4.815 1.00 0.00 C ATOM 401 CG GLU A 26 -12.621 3.513 -5.816 1.00 0.00 C ATOM 402 CD GLU A 26 -11.579 4.553 -6.087 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.495 4.202 -6.530 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.816 5.751 -5.818 1.00 0.00 O ATOM 0 H GLU A 26 -11.615 0.608 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.050 1.902 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.840 2.998 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.255 1.994 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.889 3.016 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.524 3.993 -5.440 1.00 0.00 H new ATOM 411 N HIS A 27 -12.868 -0.389 -6.062 1.00 0.00 N ATOM 412 CA HIS A 27 -13.162 -1.112 -7.303 1.00 0.00 C ATOM 413 C HIS A 27 -14.038 -2.354 -7.126 1.00 0.00 C ATOM 414 O HIS A 27 -14.945 -2.574 -7.927 1.00 0.00 O ATOM 415 CB HIS A 27 -11.872 -1.487 -8.047 1.00 0.00 C ATOM 416 CG HIS A 27 -11.074 -0.308 -8.516 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.168 0.335 -7.726 1.00 0.00 N ATOM 418 CD2 HIS A 27 -11.056 0.341 -9.691 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.635 1.320 -8.382 1.00 0.00 C ATOM 420 NE2 HIS A 27 -10.148 1.350 -9.578 1.00 0.00 N ATOM 0 H HIS A 27 -12.066 -0.738 -5.538 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.746 -0.410 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.250 -2.096 -7.391 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -12.128 -2.105 -8.908 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.943 0.080 -6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.650 0.107 -10.562 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.890 2.001 -7.999 1.00 0.00 H new ATOM 429 N LYS A 28 -13.794 -3.118 -6.060 1.00 0.00 N ATOM 430 CA LYS A 28 -14.370 -4.473 -5.880 1.00 0.00 C ATOM 431 C LYS A 28 -14.008 -5.325 -7.066 1.00 0.00 C ATOM 432 O LYS A 28 -14.834 -5.585 -7.936 1.00 0.00 O ATOM 433 CB LYS A 28 -15.901 -4.564 -5.652 1.00 0.00 C ATOM 434 CG LYS A 28 -16.460 -4.092 -4.316 1.00 0.00 C ATOM 435 CD LYS A 28 -16.481 -2.596 -4.185 1.00 0.00 C ATOM 436 CE LYS A 28 -17.209 -2.173 -2.916 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.272 -0.710 -2.786 1.00 0.00 N ATOM 0 H LYS A 28 -13.192 -2.824 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.931 -4.826 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.389 -3.989 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.196 -5.604 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.473 -4.476 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.862 -4.514 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.460 -2.214 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.971 -2.157 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.220 -2.581 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.701 -2.594 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.522 -0.459 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.346 -0.300 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.993 -0.335 -3.435 1.00 0.00 H new ATOM 451 N LYS A 29 -12.761 -5.629 -7.169 1.00 0.00 N ATOM 452 CA LYS A 29 -12.261 -6.443 -8.223 1.00 0.00 C ATOM 453 C LYS A 29 -11.011 -7.119 -7.719 1.00 0.00 C ATOM 454 O LYS A 29 -10.160 -6.443 -7.159 1.00 0.00 O ATOM 455 CB LYS A 29 -11.947 -5.559 -9.456 1.00 0.00 C ATOM 456 CG LYS A 29 -11.391 -6.302 -10.665 1.00 0.00 C ATOM 457 CD LYS A 29 -12.360 -7.344 -11.194 1.00 0.00 C ATOM 458 CE LYS A 29 -11.761 -8.130 -12.354 1.00 0.00 C ATOM 459 NZ LYS A 29 -11.543 -7.297 -13.552 1.00 0.00 N ATOM 0 H LYS A 29 -12.047 -5.314 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.994 -7.191 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.860 -5.044 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.231 -4.793 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.162 -5.587 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.453 -6.786 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.632 -8.029 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.278 -6.855 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.812 -8.565 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.423 -8.958 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.215 -7.896 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.435 -6.834 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.826 -6.573 -13.346 1.00 0.00 H new ATOM 473 N PRO A 30 -10.908 -8.449 -7.815 1.00 0.00 N ATOM 474 CA PRO A 30 -9.680 -9.139 -7.475 1.00 0.00 C ATOM 475 C PRO A 30 -8.602 -8.794 -8.504 1.00 0.00 C ATOM 476 O PRO A 30 -8.792 -8.980 -9.718 1.00 0.00 O ATOM 477 CB PRO A 30 -10.066 -10.633 -7.513 1.00 0.00 C ATOM 478 CG PRO A 30 -11.556 -10.657 -7.552 1.00 0.00 C ATOM 479 CD PRO A 30 -11.973 -9.385 -8.210 1.00 0.00 C ATOM 0 HA PRO A 30 -9.271 -8.862 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.642 -11.126 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.688 -11.159 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.917 -11.521 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.971 -10.730 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.036 -9.492 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.952 -9.053 -7.864 1.00 0.00 H new ATOM 487 N VAL A 31 -7.502 -8.280 -8.028 1.00 0.00 N ATOM 488 CA VAL A 31 -6.442 -7.779 -8.876 1.00 0.00 C ATOM 489 C VAL A 31 -5.134 -8.482 -8.516 1.00 0.00 C ATOM 490 O VAL A 31 -4.860 -8.708 -7.328 1.00 0.00 O ATOM 491 CB VAL A 31 -6.287 -6.216 -8.714 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.134 -5.661 -9.538 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.576 -5.497 -9.090 1.00 0.00 C ATOM 0 H VAL A 31 -7.309 -8.194 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.692 -7.986 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.066 -6.035 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.069 -4.583 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.202 -6.127 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.305 -5.875 -10.593 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.442 -4.422 -8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.826 -5.717 -10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.384 -5.836 -8.442 1.00 0.00 H new ATOM 503 N PRO A 32 -4.351 -8.916 -9.527 1.00 0.00 N ATOM 504 CA PRO A 32 -3.053 -9.556 -9.305 1.00 0.00 C ATOM 505 C PRO A 32 -2.106 -8.670 -8.470 1.00 0.00 C ATOM 506 O PRO A 32 -2.114 -7.424 -8.593 1.00 0.00 O ATOM 507 CB PRO A 32 -2.512 -9.756 -10.721 1.00 0.00 C ATOM 508 CG PRO A 32 -3.717 -9.813 -11.579 1.00 0.00 C ATOM 509 CD PRO A 32 -4.685 -8.854 -10.968 1.00 0.00 C ATOM 0 HA PRO A 32 -3.139 -10.484 -8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.856 -8.936 -11.014 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.929 -10.674 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.482 -9.533 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.130 -10.821 -11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.563 -7.847 -11.368 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.718 -9.148 -11.156 1.00 0.00 H new ATOM 517 N PHE A 33 -1.298 -9.326 -7.642 1.00 0.00 N ATOM 518 CA PHE A 33 -0.382 -8.692 -6.681 1.00 0.00 C ATOM 519 C PHE A 33 0.496 -7.616 -7.321 1.00 0.00 C ATOM 520 O PHE A 33 0.621 -6.512 -6.797 1.00 0.00 O ATOM 521 CB PHE A 33 0.499 -9.779 -6.039 1.00 0.00 C ATOM 522 CG PHE A 33 1.426 -9.308 -4.953 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.991 -9.223 -3.647 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.731 -8.977 -5.234 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.837 -8.812 -2.647 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.582 -8.568 -4.239 1.00 0.00 C ATOM 527 CZ PHE A 33 3.134 -8.484 -2.943 1.00 0.00 C ATOM 0 H PHE A 33 -1.257 -10.345 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.987 -8.192 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.151 -10.551 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.095 -10.248 -6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.029 -9.483 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.090 -9.040 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.481 -8.747 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.604 -8.312 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.803 -8.160 -2.159 1.00 0.00 H new ATOM 537 N GLN A 34 1.055 -7.924 -8.461 1.00 0.00 N ATOM 538 CA GLN A 34 1.999 -7.034 -9.114 1.00 0.00 C ATOM 539 C GLN A 34 1.255 -5.802 -9.667 1.00 0.00 C ATOM 540 O GLN A 34 1.778 -4.697 -9.652 1.00 0.00 O ATOM 541 CB GLN A 34 2.708 -7.800 -10.251 1.00 0.00 C ATOM 542 CG GLN A 34 4.185 -7.456 -10.508 1.00 0.00 C ATOM 543 CD GLN A 34 4.450 -6.004 -10.830 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.394 -5.591 -11.993 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.835 -5.243 -9.841 1.00 0.00 N ATOM 0 H GLN A 34 0.875 -8.791 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 34 2.745 -6.690 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.641 -8.866 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.154 -7.626 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.766 -7.730 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.548 -8.069 -11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.869 -5.617 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.101 -4.274 -10.017 1.00 0.00 H new ATOM 554 N GLU A 35 -0.008 -5.981 -10.028 1.00 0.00 N ATOM 555 CA GLU A 35 -0.757 -4.950 -10.707 1.00 0.00 C ATOM 556 C GLU A 35 -1.222 -3.923 -9.727 1.00 0.00 C ATOM 557 O GLU A 35 -1.131 -2.721 -9.980 1.00 0.00 O ATOM 558 CB GLU A 35 -1.955 -5.554 -11.400 1.00 0.00 C ATOM 559 CG GLU A 35 -1.607 -6.579 -12.449 1.00 0.00 C ATOM 560 CD GLU A 35 -0.932 -5.961 -13.630 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.652 -5.483 -14.536 1.00 0.00 O ATOM 562 OE2 GLU A 35 0.298 -5.920 -13.674 1.00 0.00 O ATOM 0 H GLU A 35 -0.532 -6.839 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.109 -4.478 -11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.598 -6.019 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.533 -4.756 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.955 -7.337 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.514 -7.088 -12.775 1.00 0.00 H new ATOM 569 N LEU A 36 -1.683 -4.403 -8.580 1.00 0.00 N ATOM 570 CA LEU A 36 -2.186 -3.533 -7.548 1.00 0.00 C ATOM 571 C LEU A 36 -1.074 -2.602 -7.069 1.00 0.00 C ATOM 572 O LEU A 36 -1.291 -1.424 -6.868 1.00 0.00 O ATOM 573 CB LEU A 36 -2.841 -4.362 -6.396 1.00 0.00 C ATOM 574 CG LEU A 36 -1.933 -5.271 -5.526 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.327 -4.509 -4.359 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.682 -6.495 -5.031 1.00 0.00 C ATOM 0 H LEU A 36 -1.715 -5.396 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.978 -2.901 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.344 -3.662 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.613 -4.992 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.117 -5.608 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.698 -5.180 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.724 -3.684 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.124 -4.116 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.016 -7.109 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.534 -6.181 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.035 -7.075 -5.884 1.00 0.00 H new ATOM 588 N LEU A 37 0.134 -3.137 -6.998 1.00 0.00 N ATOM 589 CA LEU A 37 1.293 -2.396 -6.548 1.00 0.00 C ATOM 590 C LEU A 37 1.723 -1.356 -7.544 1.00 0.00 C ATOM 591 O LEU A 37 2.171 -0.275 -7.160 1.00 0.00 O ATOM 592 CB LEU A 37 2.424 -3.345 -6.265 1.00 0.00 C ATOM 593 CG LEU A 37 2.238 -4.206 -5.039 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.231 -5.318 -5.059 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.422 -3.365 -3.785 1.00 0.00 C ATOM 0 H LEU A 37 0.335 -4.104 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 37 1.016 -1.871 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.560 -3.994 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.343 -2.769 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 37 1.231 -4.624 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.098 -5.941 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.082 -5.922 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.240 -4.905 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.287 -3.992 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.425 -2.939 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.686 -2.561 -3.775 1.00 0.00 H new ATOM 607 N ASN A 38 1.580 -1.665 -8.812 1.00 0.00 N ATOM 608 CA ASN A 38 1.947 -0.724 -9.852 1.00 0.00 C ATOM 609 C ASN A 38 1.052 0.484 -9.791 1.00 0.00 C ATOM 610 O ASN A 38 1.531 1.623 -9.822 1.00 0.00 O ATOM 611 CB ASN A 38 1.924 -1.360 -11.250 1.00 0.00 C ATOM 612 CG ASN A 38 2.978 -2.436 -11.430 1.00 0.00 C ATOM 613 OD1 ASN A 38 4.021 -2.437 -10.770 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.756 -3.311 -12.352 1.00 0.00 N ATOM 0 H ASN A 38 1.214 -2.555 -9.150 1.00 0.00 H new ATOM 0 HA ASN A 38 2.976 -0.414 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.939 -1.790 -11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.075 -0.583 -11.999 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.452 -4.029 -12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.884 -3.285 -12.881 1.00 0.00 H new ATOM 621 N GLU A 39 -0.240 0.240 -9.634 1.00 0.00 N ATOM 622 CA GLU A 39 -1.207 1.315 -9.527 1.00 0.00 C ATOM 623 C GLU A 39 -1.008 2.075 -8.221 1.00 0.00 C ATOM 624 O GLU A 39 -1.155 3.297 -8.182 1.00 0.00 O ATOM 625 CB GLU A 39 -2.632 0.785 -9.660 1.00 0.00 C ATOM 626 CG GLU A 39 -2.892 0.078 -10.989 1.00 0.00 C ATOM 627 CD GLU A 39 -2.667 0.975 -12.197 1.00 0.00 C ATOM 628 OE1 GLU A 39 -1.495 1.178 -12.605 1.00 0.00 O ATOM 629 OE2 GLU A 39 -3.648 1.464 -12.776 1.00 0.00 O ATOM 0 H GLU A 39 -0.641 -0.696 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.046 2.012 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.832 0.092 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.332 1.614 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.240 -0.792 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.918 -0.290 -11.003 1.00 0.00 H new ATOM 636 N ILE A 40 -0.647 1.349 -7.155 1.00 0.00 N ATOM 637 CA ILE A 40 -0.306 1.975 -5.879 1.00 0.00 C ATOM 638 C ILE A 40 0.825 2.967 -6.068 1.00 0.00 C ATOM 639 O ILE A 40 0.699 4.092 -5.668 1.00 0.00 O ATOM 640 CB ILE A 40 0.065 0.934 -4.765 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.182 0.172 -4.312 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.756 1.600 -3.565 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.910 -0.897 -3.279 1.00 0.00 C ATOM 0 H ILE A 40 -0.585 0.331 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.199 2.497 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 40 0.774 0.228 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.901 0.883 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.649 -0.289 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.996 0.844 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.674 2.086 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.090 2.344 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.844 -1.390 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.217 -1.631 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.472 -0.442 -2.391 1.00 0.00 H new ATOM 655 N ALA A 41 1.887 2.545 -6.735 1.00 0.00 N ATOM 656 CA ALA A 41 3.056 3.397 -6.993 1.00 0.00 C ATOM 657 C ALA A 41 2.701 4.632 -7.823 1.00 0.00 C ATOM 658 O ALA A 41 3.397 5.643 -7.781 1.00 0.00 O ATOM 659 CB ALA A 41 4.173 2.607 -7.642 1.00 0.00 C ATOM 0 H ALA A 41 1.971 1.603 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 41 3.409 3.755 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.025 3.262 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.474 1.793 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.825 2.196 -8.590 1.00 0.00 H new ATOM 665 N SER A 42 1.703 4.512 -8.648 1.00 0.00 N ATOM 666 CA SER A 42 1.230 5.638 -9.398 1.00 0.00 C ATOM 667 C SER A 42 0.449 6.646 -8.505 1.00 0.00 C ATOM 668 O SER A 42 0.704 7.856 -8.558 1.00 0.00 O ATOM 669 CB SER A 42 0.423 5.164 -10.593 1.00 0.00 C ATOM 670 OG SER A 42 1.228 4.337 -11.428 1.00 0.00 O ATOM 0 H SER A 42 1.199 3.642 -8.819 1.00 0.00 H new ATOM 0 HA SER A 42 2.091 6.189 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.453 4.610 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.059 6.021 -11.159 1.00 0.00 H new ATOM 0 HG SER A 42 1.382 3.476 -10.985 1.00 0.00 H new ATOM 676 N LEU A 43 -0.497 6.146 -7.691 1.00 0.00 N ATOM 677 CA LEU A 43 -1.266 7.011 -6.768 1.00 0.00 C ATOM 678 C LEU A 43 -0.374 7.533 -5.648 1.00 0.00 C ATOM 679 O LEU A 43 -0.326 8.737 -5.368 1.00 0.00 O ATOM 680 CB LEU A 43 -2.508 6.291 -6.178 1.00 0.00 C ATOM 681 CG LEU A 43 -3.777 6.185 -7.060 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.294 7.561 -7.442 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.560 5.331 -8.298 1.00 0.00 C ATOM 0 H LEU A 43 -0.749 5.158 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.630 7.854 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.208 5.280 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.784 6.804 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.533 5.683 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.185 7.456 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.543 8.120 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.526 8.096 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.482 5.291 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.766 5.766 -8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.276 4.322 -7.999 1.00 0.00 H new ATOM 695 N LEU A 44 0.319 6.626 -5.030 1.00 0.00 N ATOM 696 CA LEU A 44 1.277 6.906 -4.001 1.00 0.00 C ATOM 697 C LEU A 44 2.536 7.351 -4.678 1.00 0.00 C ATOM 698 O LEU A 44 3.237 6.540 -5.239 1.00 0.00 O ATOM 699 CB LEU A 44 1.542 5.622 -3.186 1.00 0.00 C ATOM 700 CG LEU A 44 2.781 5.601 -2.288 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.658 6.550 -1.118 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.093 4.185 -1.838 1.00 0.00 C ATOM 0 H LEU A 44 0.230 5.631 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 44 0.913 7.677 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.669 5.434 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.618 4.789 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 44 3.622 5.958 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.562 6.498 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.526 7.567 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.797 6.270 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.977 4.192 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.246 3.786 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.280 3.559 -2.710 1.00 0.00 H new ATOM 714 N GLY A 45 2.767 8.640 -4.685 1.00 0.00 N ATOM 715 CA GLY A 45 3.945 9.189 -5.338 1.00 0.00 C ATOM 716 C GLY A 45 5.231 8.679 -4.728 1.00 0.00 C ATOM 717 O GLY A 45 5.657 9.162 -3.702 1.00 0.00 O ATOM 0 H GLY A 45 2.160 9.334 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.922 8.934 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.921 10.277 -5.271 1.00 0.00 H new ATOM 721 N VAL A 46 5.775 7.644 -5.322 1.00 0.00 N ATOM 722 CA VAL A 46 7.035 7.050 -4.922 1.00 0.00 C ATOM 723 C VAL A 46 7.762 6.587 -6.161 1.00 0.00 C ATOM 724 O VAL A 46 7.277 6.789 -7.287 1.00 0.00 O ATOM 725 CB VAL A 46 6.857 5.818 -3.969 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.386 6.233 -2.582 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.903 4.791 -4.581 1.00 0.00 C ATOM 0 H VAL A 46 5.344 7.176 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 46 7.594 7.811 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 46 7.837 5.355 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.276 5.348 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.118 6.905 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.426 6.743 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.795 3.945 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.929 5.252 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.305 4.443 -5.533 1.00 0.00 H new ATOM 737 N LYS A 47 8.899 5.986 -5.965 1.00 0.00 N ATOM 738 CA LYS A 47 9.646 5.400 -7.034 1.00 0.00 C ATOM 739 C LYS A 47 9.387 3.894 -6.912 1.00 0.00 C ATOM 740 O LYS A 47 9.277 3.384 -5.792 1.00 0.00 O ATOM 741 CB LYS A 47 11.128 5.731 -6.828 1.00 0.00 C ATOM 742 CG LYS A 47 11.955 5.972 -8.086 1.00 0.00 C ATOM 743 CD LYS A 47 12.029 4.776 -9.007 1.00 0.00 C ATOM 744 CE LYS A 47 12.867 5.108 -10.216 1.00 0.00 C ATOM 745 NZ LYS A 47 12.895 4.015 -11.192 1.00 0.00 N ATOM 0 H LYS A 47 9.336 5.889 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 47 9.363 5.766 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.195 6.620 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.585 4.913 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.530 6.814 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.966 6.258 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.459 3.925 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.026 4.484 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.474 6.007 -10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.885 5.334 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.243 4.373 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.527 3.262 -10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.935 3.633 -11.313 1.00 0.00 H new ATOM 759 N LYS A 48 9.252 3.200 -8.020 1.00 0.00 N ATOM 760 CA LYS A 48 8.885 1.787 -7.995 1.00 0.00 C ATOM 761 C LYS A 48 9.876 0.916 -7.196 1.00 0.00 C ATOM 762 O LYS A 48 9.458 0.159 -6.351 1.00 0.00 O ATOM 763 CB LYS A 48 8.714 1.206 -9.403 1.00 0.00 C ATOM 764 CG LYS A 48 8.205 -0.241 -9.387 1.00 0.00 C ATOM 765 CD LYS A 48 6.679 -0.353 -9.225 1.00 0.00 C ATOM 766 CE LYS A 48 5.966 -0.085 -10.559 1.00 0.00 C ATOM 767 NZ LYS A 48 6.391 -1.039 -11.614 1.00 0.00 N ATOM 0 H LYS A 48 9.389 3.585 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 48 7.924 1.758 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.016 1.826 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.669 1.245 -9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.501 -0.732 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.689 -0.779 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.420 -1.348 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.335 0.359 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.888 -0.158 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.176 0.934 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.813 -0.515 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.093 -1.699 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.565 -1.573 -11.953 1.00 0.00 H new ATOM 781 N GLU A 49 11.174 1.041 -7.462 1.00 0.00 N ATOM 782 CA GLU A 49 12.182 0.180 -6.808 1.00 0.00 C ATOM 783 C GLU A 49 12.176 0.264 -5.279 1.00 0.00 C ATOM 784 O GLU A 49 12.261 -0.773 -4.604 1.00 0.00 O ATOM 785 CB GLU A 49 13.611 0.379 -7.341 1.00 0.00 C ATOM 786 CG GLU A 49 13.815 0.024 -8.805 1.00 0.00 C ATOM 787 CD GLU A 49 13.301 1.074 -9.747 1.00 0.00 C ATOM 788 OE1 GLU A 49 12.121 1.055 -10.115 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.076 1.932 -10.145 1.00 0.00 O ATOM 0 H GLU A 49 11.560 1.720 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 49 11.863 -0.825 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.894 1.421 -7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.292 -0.223 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.878 -0.131 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.314 -0.921 -9.016 1.00 0.00 H new ATOM 796 N GLU A 50 12.064 1.468 -4.728 1.00 0.00 N ATOM 797 CA GLU A 50 12.029 1.626 -3.271 1.00 0.00 C ATOM 798 C GLU A 50 10.760 0.994 -2.712 1.00 0.00 C ATOM 799 O GLU A 50 10.782 0.324 -1.675 1.00 0.00 O ATOM 800 CB GLU A 50 12.152 3.103 -2.853 1.00 0.00 C ATOM 801 CG GLU A 50 11.005 3.993 -3.294 1.00 0.00 C ATOM 802 CD GLU A 50 11.259 5.442 -3.012 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.848 6.112 -3.854 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.887 5.940 -1.945 1.00 0.00 O ATOM 0 H GLU A 50 11.997 2.339 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 50 12.892 1.109 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.233 3.152 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.080 3.504 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.836 3.859 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.092 3.682 -2.785 1.00 0.00 H new ATOM 811 N LEU A 51 9.665 1.142 -3.450 1.00 0.00 N ATOM 812 CA LEU A 51 8.417 0.554 -3.049 1.00 0.00 C ATOM 813 C LEU A 51 8.490 -0.950 -3.254 1.00 0.00 C ATOM 814 O LEU A 51 7.774 -1.670 -2.636 1.00 0.00 O ATOM 815 CB LEU A 51 7.233 1.136 -3.830 1.00 0.00 C ATOM 816 CG LEU A 51 5.840 0.683 -3.362 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.524 1.229 -1.977 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.768 1.073 -4.357 1.00 0.00 C ATOM 0 H LEU A 51 9.628 1.665 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 51 8.252 0.783 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.281 2.223 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.348 0.869 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 51 5.852 -0.405 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.533 0.893 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.266 0.867 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.546 2.318 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.796 0.738 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.757 2.157 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.978 0.606 -5.319 1.00 0.00 H new ATOM 830 N GLY A 52 9.392 -1.385 -4.132 1.00 0.00 N ATOM 831 CA GLY A 52 9.636 -2.799 -4.395 1.00 0.00 C ATOM 832 C GLY A 52 10.236 -3.478 -3.202 1.00 0.00 C ATOM 833 O GLY A 52 9.887 -4.618 -2.852 1.00 0.00 O ATOM 0 H GLY A 52 9.978 -0.759 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.699 -3.288 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.305 -2.902 -5.250 1.00 0.00 H new ATOM 837 N ASP A 53 11.104 -2.768 -2.546 1.00 0.00 N ATOM 838 CA ASP A 53 11.691 -3.238 -1.312 1.00 0.00 C ATOM 839 C ASP A 53 10.595 -3.350 -0.270 1.00 0.00 C ATOM 840 O ASP A 53 10.481 -4.341 0.474 1.00 0.00 O ATOM 841 CB ASP A 53 12.765 -2.272 -0.863 1.00 0.00 C ATOM 842 CG ASP A 53 13.317 -2.614 0.478 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.124 -3.553 0.575 1.00 0.00 O ATOM 844 OD2 ASP A 53 12.994 -1.917 1.445 1.00 0.00 O ATOM 0 H ASP A 53 11.429 -1.848 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 53 12.151 -4.216 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.573 -2.267 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.353 -1.263 -0.836 1.00 0.00 H new ATOM 849 N ARG A 54 9.725 -2.362 -0.287 1.00 0.00 N ATOM 850 CA ARG A 54 8.588 -2.368 0.573 1.00 0.00 C ATOM 851 C ARG A 54 7.562 -3.425 0.106 1.00 0.00 C ATOM 852 O ARG A 54 6.643 -3.695 0.790 1.00 0.00 O ATOM 853 CB ARG A 54 7.951 -0.983 0.745 1.00 0.00 C ATOM 854 CG ARG A 54 7.025 -0.932 1.954 1.00 0.00 C ATOM 855 CD ARG A 54 6.408 0.424 2.178 1.00 0.00 C ATOM 856 NE ARG A 54 5.588 0.421 3.413 1.00 0.00 N ATOM 857 CZ ARG A 54 5.065 1.504 4.005 1.00 0.00 C ATOM 858 NH1 ARG A 54 5.284 2.704 3.496 1.00 0.00 N ATOM 859 NH2 ARG A 54 4.328 1.373 5.111 1.00 0.00 N ATOM 0 H ARG A 54 9.795 -1.546 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 54 8.940 -2.647 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.735 -0.234 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.390 -0.727 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.231 -1.668 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.585 -1.220 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.191 1.178 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.788 0.694 1.323 1.00 0.00 H new ATOM 0 HE ARG A 54 5.406 -0.483 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.850 2.805 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.887 3.529 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.162 0.448 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.931 2.198 5.560 1.00 0.00 H new ATOM 873 N ILE A 55 7.717 -3.939 -1.121 1.00 0.00 N ATOM 874 CA ILE A 55 6.886 -5.027 -1.640 1.00 0.00 C ATOM 875 C ILE A 55 7.225 -6.310 -0.897 1.00 0.00 C ATOM 876 O ILE A 55 6.336 -7.085 -0.556 1.00 0.00 O ATOM 877 CB ILE A 55 7.028 -5.233 -3.198 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.401 -4.057 -3.966 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.437 -6.563 -3.659 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.514 -4.155 -5.489 1.00 0.00 C ATOM 0 H ILE A 55 8.423 -3.610 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 55 5.845 -4.754 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 55 8.094 -5.262 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.347 -3.986 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.876 -3.132 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.558 -6.660 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.954 -7.383 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.377 -6.596 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.045 -3.283 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.565 -4.192 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.012 -5.059 -5.834 1.00 0.00 H new ATOM 892 N ALA A 56 8.507 -6.519 -0.620 1.00 0.00 N ATOM 893 CA ALA A 56 8.919 -7.663 0.210 1.00 0.00 C ATOM 894 C ALA A 56 8.274 -7.515 1.608 1.00 0.00 C ATOM 895 O ALA A 56 7.544 -8.435 2.133 1.00 0.00 O ATOM 896 CB ALA A 56 10.435 -7.718 0.311 1.00 0.00 C ATOM 0 H ALA A 56 9.272 -5.929 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 56 8.584 -8.596 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.728 -8.568 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.862 -7.828 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.803 -6.797 0.764 1.00 0.00 H new ATOM 902 N GLN A 57 8.455 -6.315 2.155 1.00 0.00 N ATOM 903 CA GLN A 57 7.856 -5.921 3.427 1.00 0.00 C ATOM 904 C GLN A 57 6.317 -6.051 3.338 1.00 0.00 C ATOM 905 O GLN A 57 5.650 -6.361 4.311 1.00 0.00 O ATOM 906 CB GLN A 57 8.304 -4.465 3.762 1.00 0.00 C ATOM 907 CG GLN A 57 7.950 -3.942 5.168 1.00 0.00 C ATOM 908 CD GLN A 57 6.498 -3.525 5.358 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.830 -3.051 4.431 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.000 -3.696 6.552 1.00 0.00 N ATOM 0 H GLN A 57 9.024 -5.585 1.726 1.00 0.00 H new ATOM 0 HA GLN A 57 8.191 -6.575 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.385 -4.404 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.860 -3.794 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.187 -4.717 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.589 -3.088 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.578 -4.090 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.032 -3.436 6.743 1.00 0.00 H new ATOM 919 N PHE A 58 5.795 -5.862 2.148 1.00 0.00 N ATOM 920 CA PHE A 58 4.383 -5.922 1.875 1.00 0.00 C ATOM 921 C PHE A 58 3.871 -7.324 1.960 1.00 0.00 C ATOM 922 O PHE A 58 2.790 -7.506 2.388 1.00 0.00 O ATOM 923 CB PHE A 58 4.042 -5.286 0.523 1.00 0.00 C ATOM 924 CG PHE A 58 2.578 -5.234 0.184 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.667 -4.662 1.051 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.122 -5.731 -1.016 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.335 -4.590 0.724 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.786 -5.665 -1.348 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.109 -5.092 -0.477 1.00 0.00 C ATOM 0 H PHE A 58 6.359 -5.657 1.323 1.00 0.00 H new ATOM 0 HA PHE A 58 3.879 -5.339 2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.437 -4.270 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.559 -5.840 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.006 -4.267 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.821 -6.179 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.365 -4.138 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.443 -6.063 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.156 -5.036 -0.734 1.00 0.00 H new ATOM 939 N TYR A 59 4.654 -8.329 1.563 1.00 0.00 N ATOM 940 CA TYR A 59 4.205 -9.720 1.766 1.00 0.00 C ATOM 941 C TYR A 59 4.018 -9.942 3.241 1.00 0.00 C ATOM 942 O TYR A 59 3.040 -10.537 3.680 1.00 0.00 O ATOM 943 CB TYR A 59 5.190 -10.763 1.236 1.00 0.00 C ATOM 944 CG TYR A 59 5.332 -10.821 -0.261 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.484 -11.600 -1.030 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.328 -10.126 -0.895 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.638 -11.673 -2.401 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.491 -10.182 -2.253 1.00 0.00 C ATOM 949 CZ TYR A 59 5.648 -10.958 -3.004 1.00 0.00 C ATOM 950 OH TYR A 59 5.811 -11.011 -4.372 1.00 0.00 O ATOM 0 H TYR A 59 5.565 -8.222 1.117 1.00 0.00 H new ATOM 0 HA TYR A 59 3.278 -9.847 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.170 -10.564 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.878 -11.745 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.692 -12.158 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.002 -9.519 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.973 -12.284 -2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.279 -9.618 -2.729 1.00 0.00 H new ATOM 0 HH TYR A 59 5.236 -10.340 -4.796 1.00 0.00 H new ATOM 960 N THR A 60 4.948 -9.409 4.006 1.00 0.00 N ATOM 961 CA THR A 60 4.863 -9.472 5.451 1.00 0.00 C ATOM 962 C THR A 60 3.584 -8.733 5.974 1.00 0.00 C ATOM 963 O THR A 60 2.740 -9.320 6.655 1.00 0.00 O ATOM 964 CB THR A 60 6.108 -8.806 6.033 1.00 0.00 C ATOM 965 OG1 THR A 60 7.274 -9.375 5.411 1.00 0.00 O ATOM 966 CG2 THR A 60 6.180 -8.984 7.539 1.00 0.00 C ATOM 0 H THR A 60 5.773 -8.926 3.651 1.00 0.00 H new ATOM 0 HA THR A 60 4.800 -10.515 5.761 1.00 0.00 H new ATOM 0 HB THR A 60 6.060 -7.736 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.079 -8.953 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.078 -8.498 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.301 -8.535 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.213 -10.047 7.779 1.00 0.00 H new ATOM 974 N ASP A 61 3.449 -7.483 5.580 1.00 0.00 N ATOM 975 CA ASP A 61 2.379 -6.568 6.040 1.00 0.00 C ATOM 976 C ASP A 61 0.976 -7.001 5.560 1.00 0.00 C ATOM 977 O ASP A 61 -0.013 -6.864 6.279 1.00 0.00 O ATOM 978 CB ASP A 61 2.732 -5.143 5.551 1.00 0.00 C ATOM 979 CG ASP A 61 1.763 -4.049 5.962 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.310 -4.044 7.126 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.529 -3.126 5.144 1.00 0.00 O ATOM 0 H ASP A 61 4.087 -7.047 4.914 1.00 0.00 H new ATOM 0 HA ASP A 61 2.330 -6.595 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.723 -4.885 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.796 -5.157 4.463 1.00 0.00 H new ATOM 986 N LEU A 62 0.928 -7.553 4.374 1.00 0.00 N ATOM 987 CA LEU A 62 -0.301 -7.985 3.716 1.00 0.00 C ATOM 988 C LEU A 62 -0.848 -9.264 4.313 1.00 0.00 C ATOM 989 O LEU A 62 -2.024 -9.366 4.618 1.00 0.00 O ATOM 990 CB LEU A 62 -0.008 -8.243 2.240 1.00 0.00 C ATOM 991 CG LEU A 62 -1.174 -8.554 1.325 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.161 -7.418 1.319 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.661 -8.796 -0.072 1.00 0.00 C ATOM 0 H LEU A 62 1.763 -7.724 3.814 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.041 -7.196 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.502 -7.366 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.694 -9.075 2.180 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.681 -9.447 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.991 -7.661 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.538 -7.258 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.669 -6.511 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.498 -9.020 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.145 -7.905 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.031 -9.638 -0.065 1.00 0.00 H new ATOM 1005 N ASN A 63 0.007 -10.238 4.479 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.442 -11.554 4.885 1.00 0.00 C ATOM 1007 C ASN A 63 -0.883 -11.603 6.341 1.00 0.00 C ATOM 1008 O ASN A 63 -1.668 -12.465 6.729 1.00 0.00 O ATOM 1009 CB ASN A 63 0.586 -12.647 4.547 1.00 0.00 C ATOM 1010 CG ASN A 63 0.822 -12.810 3.030 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.748 -11.862 2.253 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.065 -14.008 2.609 1.00 0.00 N ATOM 0 H ASN A 63 1.014 -10.152 4.342 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.333 -11.768 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.533 -12.409 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.246 -13.597 4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.200 -14.181 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.122 -14.780 3.273 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.413 -10.657 7.139 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.833 -10.572 8.541 1.00 0.00 C ATOM 1021 C ILE A 64 -2.043 -9.654 8.677 1.00 0.00 C ATOM 1022 O ILE A 64 -2.607 -9.498 9.764 1.00 0.00 O ATOM 1023 CB ILE A 64 0.294 -10.060 9.476 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.761 -8.650 9.063 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.452 -11.042 9.493 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.844 -8.060 9.947 1.00 0.00 C ATOM 0 H ILE A 64 0.253 -9.941 6.850 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.088 -11.586 8.848 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.105 -9.987 10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.128 -8.689 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.099 -7.980 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.235 -10.670 10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.103 -12.010 9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.850 -11.153 8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.111 -7.068 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.477 -7.984 10.971 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.723 -8.704 9.924 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.432 -9.071 7.575 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.534 -8.138 7.518 1.00 0.00 C ATOM 1040 C ASP A 65 -4.850 -8.895 7.408 1.00 0.00 C ATOM 1041 O ASP A 65 -4.928 -9.906 6.709 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.334 -7.197 6.325 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.491 -6.291 6.068 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.406 -6.699 5.355 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -4.496 -5.153 6.579 1.00 0.00 O ATOM 0 H ASP A 65 -1.986 -9.232 6.672 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.566 -7.543 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.443 -6.593 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.147 -7.793 5.432 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.864 -8.423 8.109 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.146 -9.098 8.124 1.00 0.00 C ATOM 1052 C GLY A 66 -8.184 -8.415 7.259 1.00 0.00 C ATOM 1053 O GLY A 66 -9.378 -8.705 7.360 1.00 0.00 O ATOM 0 H GLY A 66 -5.824 -7.575 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.014 -10.124 7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.512 -9.149 9.150 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.749 -7.514 6.429 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.632 -6.820 5.514 1.00 0.00 C ATOM 1059 C ARG A 67 -8.550 -7.551 4.192 1.00 0.00 C ATOM 1060 O ARG A 67 -9.547 -7.734 3.483 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.141 -5.393 5.302 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.954 -4.586 6.569 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.136 -3.350 6.271 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.936 -2.502 7.442 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.747 -2.056 7.869 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -4.617 -2.638 7.459 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.698 -1.099 8.781 1.00 0.00 N ATOM 0 H ARG A 67 -6.771 -7.233 6.360 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.648 -6.793 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.192 -5.427 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.851 -4.872 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.924 -4.302 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.454 -5.190 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.165 -3.650 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.632 -2.772 5.491 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.762 -2.229 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.655 -3.429 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.716 -2.292 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.562 -0.706 9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.796 -0.755 9.111 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.344 -7.953 3.874 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.039 -8.678 2.674 1.00 0.00 C ATOM 1083 C PHE A 68 -7.261 -10.164 2.773 1.00 0.00 C ATOM 1084 O PHE A 68 -7.487 -10.719 3.851 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.627 -8.397 2.213 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.561 -7.302 1.227 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.531 -5.980 1.616 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.542 -7.607 -0.116 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.485 -4.986 0.669 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.495 -6.629 -1.056 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.468 -5.322 -0.671 1.00 0.00 C ATOM 0 H PHE A 68 -6.529 -7.778 4.461 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.750 -8.312 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.011 -8.142 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.205 -9.301 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.544 -5.726 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.565 -8.641 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.462 -3.949 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.479 -6.886 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.433 -4.543 -1.419 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.205 -10.786 1.620 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.374 -12.195 1.449 1.00 0.00 C ATOM 1103 C LEU A 69 -6.748 -12.614 0.130 1.00 0.00 C ATOM 1104 O LEU A 69 -6.880 -11.901 -0.883 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.866 -12.528 1.416 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.242 -13.930 0.939 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.790 -15.000 1.910 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.710 -14.014 0.687 1.00 0.00 C ATOM 0 H LEU A 69 -7.033 -10.296 0.742 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.897 -12.723 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.268 -12.390 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.363 -11.804 0.771 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.717 -14.115 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.078 -15.981 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.706 -14.957 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.260 -14.833 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.964 -15.018 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.250 -13.795 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.990 -13.291 -0.079 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.050 -13.730 0.143 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.541 -14.309 -1.067 1.00 0.00 C ATOM 1122 C ALA A 70 -6.633 -15.158 -1.636 1.00 0.00 C ATOM 1123 O ALA A 70 -7.005 -16.178 -1.052 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.303 -15.162 -0.810 1.00 0.00 C ATOM 0 H ALA A 70 -5.825 -14.253 0.989 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.243 -13.519 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.949 -15.582 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.520 -14.544 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.554 -15.971 -0.124 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.177 -14.717 -2.720 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.242 -15.406 -3.387 1.00 0.00 C ATOM 1132 C LEU A 71 -7.740 -16.673 -4.104 1.00 0.00 C ATOM 1133 O LEU A 71 -6.590 -17.094 -3.900 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.940 -14.425 -4.318 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.674 -13.306 -3.596 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.907 -12.158 -4.520 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.996 -13.807 -3.113 1.00 0.00 C ATOM 0 H LEU A 71 -6.892 -13.852 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.969 -15.766 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.201 -13.988 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.650 -14.971 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.064 -12.977 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.433 -11.365 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.950 -11.781 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.508 -12.489 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.522 -13.005 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.591 -14.142 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.841 -14.640 -2.428 1.00 0.00 H new ATOM 1149 N SER A 72 -8.596 -17.236 -4.938 1.00 0.00 N ATOM 1150 CA SER A 72 -8.420 -18.522 -5.612 1.00 0.00 C ATOM 1151 C SER A 72 -6.970 -18.787 -6.108 1.00 0.00 C ATOM 1152 O SER A 72 -6.393 -19.825 -5.811 1.00 0.00 O ATOM 1153 CB SER A 72 -9.394 -18.538 -6.773 1.00 0.00 C ATOM 1154 OG SER A 72 -10.622 -17.907 -6.371 1.00 0.00 O ATOM 0 H SER A 72 -9.481 -16.790 -5.180 1.00 0.00 H new ATOM 0 HA SER A 72 -8.614 -19.322 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.966 -18.016 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.585 -19.564 -7.089 1.00 0.00 H new ATOM 0 HG SER A 72 -11.254 -17.914 -7.120 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.385 -17.837 -6.811 1.00 0.00 N ATOM 1161 CA ASP A 73 -5.041 -18.036 -7.355 1.00 0.00 C ATOM 1162 C ASP A 73 -4.047 -17.096 -6.750 1.00 0.00 C ATOM 1163 O ASP A 73 -3.044 -16.740 -7.376 1.00 0.00 O ATOM 1164 CB ASP A 73 -5.024 -17.927 -8.877 1.00 0.00 C ATOM 1165 CG ASP A 73 -5.658 -19.103 -9.561 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -4.987 -20.145 -9.711 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.837 -19.005 -9.979 1.00 0.00 O ATOM 0 H ASP A 73 -6.804 -16.931 -7.021 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.746 -19.050 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.545 -17.017 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.993 -17.830 -9.216 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.291 -16.741 -5.495 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.443 -15.816 -4.714 1.00 0.00 C ATOM 1174 C GLN A 74 -3.575 -14.422 -5.223 1.00 0.00 C ATOM 1175 O GLN A 74 -2.831 -13.530 -4.849 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.952 -16.234 -4.571 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.697 -17.407 -3.610 1.00 0.00 C ATOM 1178 CD GLN A 74 -2.237 -18.732 -4.104 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -2.157 -18.955 -5.383 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -2.662 -19.568 -3.323 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.095 -17.088 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.831 -15.870 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.569 -16.501 -5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.379 -15.372 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.624 -17.502 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.149 -17.178 -2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.710 -19.357 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.969 -20.478 -3.667 1.00 0.00 H new ATOM 1189 N THR A 75 -4.521 -14.255 -6.096 1.00 0.00 N ATOM 1190 CA THR A 75 -4.940 -12.977 -6.558 1.00 0.00 C ATOM 1191 C THR A 75 -5.503 -12.259 -5.335 1.00 0.00 C ATOM 1192 O THR A 75 -6.208 -12.876 -4.531 1.00 0.00 O ATOM 1193 CB THR A 75 -6.023 -13.186 -7.623 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.530 -14.134 -8.596 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.362 -11.889 -8.324 1.00 0.00 C ATOM 0 H THR A 75 -5.035 -15.030 -6.516 1.00 0.00 H new ATOM 0 HA THR A 75 -4.134 -12.394 -7.004 1.00 0.00 H new ATOM 0 HB THR A 75 -6.926 -13.556 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.212 -14.281 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.133 -12.071 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.728 -11.166 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.470 -11.494 -8.810 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.190 -11.019 -5.157 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.555 -10.396 -3.937 1.00 0.00 C ATOM 1205 C TRP A 76 -6.836 -9.656 -4.038 1.00 0.00 C ATOM 1206 O TRP A 76 -7.229 -9.169 -5.109 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.423 -9.539 -3.374 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.240 -10.365 -2.974 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.182 -10.697 -3.753 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.012 -10.984 -1.700 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.309 -11.493 -3.051 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.791 -11.679 -1.788 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.717 -11.017 -0.495 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.262 -12.401 -0.719 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.192 -11.730 0.565 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.977 -12.413 0.448 1.00 0.00 C ATOM 0 H TRP A 76 -4.693 -10.431 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.728 -11.195 -3.216 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.118 -8.806 -4.121 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.785 -8.982 -2.510 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.045 -10.382 -4.777 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.440 -11.883 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.656 -10.494 -0.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.325 -12.930 -0.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.729 -11.761 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.595 -12.961 1.296 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.511 -9.643 -2.943 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.728 -8.974 -2.818 1.00 0.00 C ATOM 1229 C GLY A 77 -9.034 -8.800 -1.380 1.00 0.00 C ATOM 1230 O GLY A 77 -8.174 -9.027 -0.532 1.00 0.00 O ATOM 0 H GLY A 77 -7.210 -10.117 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.677 -8.004 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.521 -9.540 -3.306 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.231 -8.481 -1.076 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.567 -8.170 0.271 1.00 0.00 C ATOM 1236 C LEU A 78 -11.461 -9.186 0.896 1.00 0.00 C ATOM 1237 O LEU A 78 -12.444 -9.640 0.308 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.196 -6.788 0.390 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.308 -5.602 0.032 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.089 -4.327 0.157 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.085 -5.547 0.926 1.00 0.00 C ATOM 0 H LEU A 78 -11.004 -8.426 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.624 -8.179 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.078 -6.759 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.541 -6.658 1.416 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.972 -5.724 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.450 -3.482 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.943 -4.355 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.443 -4.216 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.469 -4.691 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.398 -5.447 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.507 -6.463 0.808 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.135 -9.475 2.113 1.00 0.00 N ATOM 1254 CA ARG A 79 -11.885 -10.340 2.986 1.00 0.00 C ATOM 1255 C ARG A 79 -13.127 -9.565 3.442 1.00 0.00 C ATOM 1256 O ARG A 79 -14.085 -10.121 3.930 1.00 0.00 O ATOM 1257 CB ARG A 79 -10.985 -10.651 4.184 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.597 -11.450 5.311 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.624 -11.497 6.466 1.00 0.00 C ATOM 1260 NE ARG A 79 -11.199 -12.084 7.671 1.00 0.00 N ATOM 1261 CZ ARG A 79 -11.419 -11.430 8.818 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -11.148 -10.123 8.917 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -11.901 -12.088 9.871 1.00 0.00 N ATOM 0 H ARG A 79 -10.296 -9.098 2.555 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.192 -11.266 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.111 -11.192 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.627 -9.706 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.536 -10.996 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.830 -12.460 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.746 -12.072 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.283 -10.486 6.688 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.454 -13.071 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.771 -9.618 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.318 -9.632 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.101 -13.086 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.070 -11.594 10.747 1.00 0.00 H new ATOM 1277 N SER A 80 -13.066 -8.263 3.252 1.00 0.00 N ATOM 1278 CA SER A 80 -14.116 -7.354 3.606 1.00 0.00 C ATOM 1279 C SER A 80 -15.312 -7.449 2.639 1.00 0.00 C ATOM 1280 O SER A 80 -16.428 -7.094 3.005 1.00 0.00 O ATOM 1281 CB SER A 80 -13.538 -5.953 3.587 1.00 0.00 C ATOM 1282 OG SER A 80 -12.291 -5.940 4.271 1.00 0.00 O ATOM 0 H SER A 80 -12.257 -7.803 2.834 1.00 0.00 H new ATOM 0 HA SER A 80 -14.493 -7.609 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.403 -5.619 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.231 -5.257 4.060 1.00 0.00 H new ATOM 0 HG SER A 80 -11.919 -5.034 4.256 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.090 -7.944 1.422 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.186 -8.039 0.445 1.00 0.00 C ATOM 1290 C TRP A 81 -17.055 -9.227 0.761 1.00 0.00 C ATOM 1291 O TRP A 81 -18.262 -9.121 0.968 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.669 -8.255 -0.978 1.00 0.00 C ATOM 1293 CG TRP A 81 -14.778 -7.213 -1.541 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -14.864 -5.860 -1.381 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.699 -7.450 -2.439 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -13.879 -5.244 -2.111 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.158 -6.200 -2.774 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.125 -8.612 -2.994 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.084 -6.069 -3.635 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.061 -8.467 -3.851 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.554 -7.205 -4.162 1.00 0.00 C ATOM 0 H TRP A 81 -14.186 -8.279 1.089 1.00 0.00 H new ATOM 0 HA TRP A 81 -16.735 -7.099 0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.135 -9.205 -1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.530 -8.356 -1.639 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.597 -5.351 -0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -13.712 -4.239 -2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.512 -9.591 -2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.680 -5.098 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.610 -9.344 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.717 -7.128 -4.840 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.411 -10.349 0.796 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.053 -11.608 0.972 1.00 0.00 C ATOM 1314 C TYR A 82 -17.024 -11.935 2.471 1.00 0.00 C ATOM 1315 O TYR A 82 -16.521 -11.126 3.241 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.251 -12.650 0.203 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.762 -12.254 -1.192 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.625 -12.127 -2.262 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.408 -12.049 -1.424 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -16.158 -11.807 -3.523 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.937 -11.740 -2.673 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.812 -11.620 -3.725 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.330 -11.314 -4.990 1.00 0.00 O ATOM 0 H TYR A 82 -15.398 -10.415 0.700 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.082 -11.594 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.382 -12.921 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.863 -13.546 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.683 -12.280 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.712 -12.135 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.849 -11.704 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.879 -11.591 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.356 -11.214 -4.954 1.00 0.00 H new