USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 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 13 THR OG1 : rot 180:sc= 0.116 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 5:sc= 0.174 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 22 ASN : amide:sc= 0.0245 K(o=0.024,f=-2.3) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0348 (180deg=-0.166) USER MOD Single : A 30 SER OG : rot -31:sc= 0.835 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 1.99 (180deg=1.31) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= 0.303 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.589 K(o=0.59,f=-5!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -6:sc= 0.889 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 54:sc= 1.14 USER MOD Single : A 74 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 86 CYS SG : rot -2:sc= -0.356 USER MOD Single : A 87 THR OG1 : rot 121:sc= 0.611 USER MOD Single : A 97 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.055) USER MOD Single : A 105 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 115 THR OG1 : rot -47:sc= 0.0762 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 28:sc= 0.0263 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.188 28.159 -16.615 1.00 0.00 N ATOM 2 CA GLY A 1 14.113 28.782 -15.658 1.00 0.00 C ATOM 3 C GLY A 1 15.283 27.853 -15.407 1.00 0.00 C ATOM 4 O GLY A 1 16.017 27.560 -16.352 1.00 0.00 O ATOM 0 H1 GLY A 1 12.385 28.797 -16.787 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.685 27.978 -17.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.839 27.260 -16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.469 29.735 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.596 28.994 -14.722 1.00 0.00 H new ATOM 8 N SER A 2 15.464 27.368 -14.177 1.00 0.00 N ATOM 9 CA SER A 2 16.610 26.561 -13.768 1.00 0.00 C ATOM 10 C SER A 2 16.152 25.282 -13.056 1.00 0.00 C ATOM 11 O SER A 2 15.114 25.264 -12.386 1.00 0.00 O ATOM 12 CB SER A 2 17.548 27.424 -12.906 1.00 0.00 C ATOM 13 OG SER A 2 16.842 28.275 -12.016 1.00 0.00 O ATOM 0 H SER A 2 14.800 27.531 -13.420 1.00 0.00 H new ATOM 0 HA SER A 2 17.168 26.232 -14.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.210 26.774 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.180 28.029 -13.557 1.00 0.00 H new ATOM 0 HG SER A 2 17.481 28.801 -11.490 1.00 0.00 H new ATOM 19 N SER A 3 16.934 24.213 -13.214 1.00 0.00 N ATOM 20 CA SER A 3 16.774 22.916 -12.573 1.00 0.00 C ATOM 21 C SER A 3 18.145 22.246 -12.579 1.00 0.00 C ATOM 22 O SER A 3 18.737 22.087 -13.655 1.00 0.00 O ATOM 23 CB SER A 3 15.824 22.012 -13.371 1.00 0.00 C ATOM 24 OG SER A 3 14.488 22.475 -13.419 1.00 0.00 O ATOM 0 H SER A 3 17.745 24.236 -13.832 1.00 0.00 H new ATOM 0 HA SER A 3 16.369 23.058 -11.571 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.201 21.917 -14.389 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.836 21.014 -12.932 1.00 0.00 H new ATOM 0 HG SER A 3 14.428 23.348 -12.979 1.00 0.00 H new ATOM 30 N GLY A 4 18.637 21.826 -11.419 1.00 0.00 N ATOM 31 CA GLY A 4 19.722 20.865 -11.342 1.00 0.00 C ATOM 32 C GLY A 4 19.252 19.501 -11.845 1.00 0.00 C ATOM 33 O GLY A 4 18.074 19.305 -12.154 1.00 0.00 O ATOM 0 H GLY A 4 18.295 22.142 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.567 21.210 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.072 20.781 -10.313 1.00 0.00 H new ATOM 37 N SER A 5 20.183 18.556 -11.918 1.00 0.00 N ATOM 38 CA SER A 5 19.924 17.185 -12.310 1.00 0.00 C ATOM 39 C SER A 5 20.959 16.336 -11.587 1.00 0.00 C ATOM 40 O SER A 5 22.094 16.197 -12.046 1.00 0.00 O ATOM 41 CB SER A 5 20.006 17.073 -13.837 1.00 0.00 C ATOM 42 OG SER A 5 19.740 15.763 -14.296 1.00 0.00 O ATOM 0 H SER A 5 21.164 18.732 -11.699 1.00 0.00 H new ATOM 0 HA SER A 5 18.927 16.841 -12.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.294 17.765 -14.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.999 17.376 -14.168 1.00 0.00 H new ATOM 0 HG SER A 5 19.802 15.740 -15.274 1.00 0.00 H new ATOM 48 N SER A 6 20.595 15.828 -10.414 1.00 0.00 N ATOM 49 CA SER A 6 21.341 14.814 -9.690 1.00 0.00 C ATOM 50 C SER A 6 20.384 14.237 -8.655 1.00 0.00 C ATOM 51 O SER A 6 19.656 14.987 -7.993 1.00 0.00 O ATOM 52 CB SER A 6 22.570 15.430 -9.011 1.00 0.00 C ATOM 53 OG SER A 6 23.421 14.431 -8.481 1.00 0.00 O ATOM 0 H SER A 6 19.747 16.122 -9.930 1.00 0.00 H new ATOM 0 HA SER A 6 21.708 14.038 -10.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.121 16.035 -9.731 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.250 16.099 -8.212 1.00 0.00 H new ATOM 0 HG SER A 6 24.196 14.854 -8.056 1.00 0.00 H new ATOM 59 N GLY A 7 20.375 12.914 -8.524 1.00 0.00 N ATOM 60 CA GLY A 7 19.649 12.234 -7.468 1.00 0.00 C ATOM 61 C GLY A 7 20.626 11.935 -6.342 1.00 0.00 C ATOM 62 O GLY A 7 21.749 11.501 -6.618 1.00 0.00 O ATOM 0 H GLY A 7 20.875 12.285 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.830 12.856 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.206 11.311 -7.843 1.00 0.00 H new ATOM 66 N MET A 8 20.222 12.154 -5.091 1.00 0.00 N ATOM 67 CA MET A 8 21.037 11.902 -3.905 1.00 0.00 C ATOM 68 C MET A 8 20.127 11.601 -2.710 1.00 0.00 C ATOM 69 O MET A 8 18.899 11.676 -2.835 1.00 0.00 O ATOM 70 CB MET A 8 21.975 13.098 -3.623 1.00 0.00 C ATOM 71 CG MET A 8 21.269 14.417 -3.260 1.00 0.00 C ATOM 72 SD MET A 8 20.859 15.496 -4.663 1.00 0.00 S ATOM 73 CE MET A 8 20.079 16.889 -3.798 1.00 0.00 C ATOM 0 H MET A 8 19.296 12.521 -4.870 1.00 0.00 H new ATOM 0 HA MET A 8 21.670 11.032 -4.080 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.646 12.828 -2.807 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.595 13.267 -4.503 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.349 14.181 -2.724 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.906 14.972 -2.571 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.770 17.641 -4.524 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.207 16.534 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 8 20.792 17.329 -3.101 1.00 0.00 H new ATOM 83 N ASN A 9 20.731 11.345 -1.542 1.00 0.00 N ATOM 84 CA ASN A 9 20.060 11.027 -0.277 1.00 0.00 C ATOM 85 C ASN A 9 19.179 9.770 -0.411 1.00 0.00 C ATOM 86 O ASN A 9 19.260 9.064 -1.418 1.00 0.00 O ATOM 87 CB ASN A 9 19.339 12.288 0.252 1.00 0.00 C ATOM 88 CG ASN A 9 18.843 12.165 1.687 1.00 0.00 C ATOM 89 OD1 ASN A 9 19.404 11.412 2.478 1.00 0.00 O ATOM 90 ND2 ASN A 9 17.782 12.869 2.038 1.00 0.00 N ATOM 0 H ASN A 9 21.747 11.355 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 9 20.790 10.755 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 9 20.019 13.137 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.491 12.508 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.411 12.794 2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.334 13.488 1.362 1.00 0.00 H new ATOM 97 N LYS A 10 18.385 9.426 0.609 1.00 0.00 N ATOM 98 CA LYS A 10 17.457 8.303 0.565 1.00 0.00 C ATOM 99 C LYS A 10 16.079 8.728 1.068 1.00 0.00 C ATOM 100 O LYS A 10 15.995 9.491 2.034 1.00 0.00 O ATOM 101 CB LYS A 10 17.995 7.122 1.387 1.00 0.00 C ATOM 102 CG LYS A 10 18.755 6.148 0.481 1.00 0.00 C ATOM 103 CD LYS A 10 19.385 5.001 1.282 1.00 0.00 C ATOM 104 CE LYS A 10 20.122 4.046 0.338 1.00 0.00 C ATOM 105 NZ LYS A 10 19.240 3.067 -0.327 1.00 0.00 N ATOM 0 H LYS A 10 18.373 9.929 1.496 1.00 0.00 H new ATOM 0 HA LYS A 10 17.359 7.979 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.655 7.488 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.170 6.605 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.074 5.739 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.534 6.686 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.078 5.401 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.612 4.461 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.640 4.630 -0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.885 3.509 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.807 2.456 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.764 2.484 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.527 3.570 -0.893 1.00 0.00 H new ATOM 119 N PRO A 11 15.007 8.217 0.444 1.00 0.00 N ATOM 120 CA PRO A 11 13.636 8.348 0.915 1.00 0.00 C ATOM 121 C PRO A 11 13.363 7.378 2.073 1.00 0.00 C ATOM 122 O PRO A 11 14.287 6.834 2.686 1.00 0.00 O ATOM 123 CB PRO A 11 12.783 8.058 -0.322 1.00 0.00 C ATOM 124 CG PRO A 11 13.622 7.050 -1.100 1.00 0.00 C ATOM 125 CD PRO A 11 15.054 7.432 -0.782 1.00 0.00 C ATOM 0 HA PRO A 11 13.413 9.334 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.810 7.648 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.598 8.961 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.405 6.028 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.423 7.108 -2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.673 6.544 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.492 8.009 -1.596 1.00 0.00 H new ATOM 133 N LEU A 12 12.082 7.199 2.399 1.00 0.00 N ATOM 134 CA LEU A 12 11.589 6.361 3.480 1.00 0.00 C ATOM 135 C LEU A 12 12.112 4.940 3.314 1.00 0.00 C ATOM 136 O LEU A 12 11.852 4.282 2.312 1.00 0.00 O ATOM 137 CB LEU A 12 10.050 6.343 3.511 1.00 0.00 C ATOM 138 CG LEU A 12 9.314 7.674 3.740 1.00 0.00 C ATOM 139 CD1 LEU A 12 9.752 8.324 5.057 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.408 8.689 2.591 1.00 0.00 C ATOM 0 H LEU A 12 11.328 7.659 1.889 1.00 0.00 H new ATOM 0 HA LEU A 12 11.948 6.777 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.702 5.928 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.740 5.652 4.295 1.00 0.00 H new ATOM 0 HG LEU A 12 8.262 7.394 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.217 9.263 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.527 7.653 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.824 8.518 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.855 9.590 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.453 8.943 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.982 8.255 1.686 1.00 0.00 H new ATOM 152 N THR A 13 12.852 4.469 4.307 1.00 0.00 N ATOM 153 CA THR A 13 13.393 3.132 4.342 1.00 0.00 C ATOM 154 C THR A 13 12.263 2.099 4.422 1.00 0.00 C ATOM 155 O THR A 13 11.222 2.366 5.027 1.00 0.00 O ATOM 156 CB THR A 13 14.371 3.034 5.528 1.00 0.00 C ATOM 157 OG1 THR A 13 14.005 3.877 6.610 1.00 0.00 O ATOM 158 CG2 THR A 13 15.742 3.514 5.085 1.00 0.00 C ATOM 0 H THR A 13 13.095 5.025 5.127 1.00 0.00 H new ATOM 0 HA THR A 13 13.941 2.915 3.425 1.00 0.00 H new ATOM 0 HB THR A 13 14.360 1.992 5.848 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.655 3.777 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.439 3.447 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.098 2.891 4.265 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.675 4.549 4.751 1.00 0.00 H new ATOM 166 N PRO A 14 12.471 0.886 3.886 1.00 0.00 N ATOM 167 CA PRO A 14 11.412 -0.104 3.750 1.00 0.00 C ATOM 168 C PRO A 14 10.892 -0.629 5.094 1.00 0.00 C ATOM 169 O PRO A 14 9.835 -1.253 5.128 1.00 0.00 O ATOM 170 CB PRO A 14 11.978 -1.218 2.864 1.00 0.00 C ATOM 171 CG PRO A 14 13.490 -1.013 2.867 1.00 0.00 C ATOM 172 CD PRO A 14 13.709 0.440 3.277 1.00 0.00 C ATOM 0 HA PRO A 14 10.531 0.349 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.715 -2.201 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.576 -1.158 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.976 -1.694 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.914 -1.210 1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.539 0.524 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.959 1.054 2.412 1.00 0.00 H new ATOM 180 N SER A 15 11.584 -0.368 6.202 1.00 0.00 N ATOM 181 CA SER A 15 11.173 -0.772 7.540 1.00 0.00 C ATOM 182 C SER A 15 10.369 0.319 8.272 1.00 0.00 C ATOM 183 O SER A 15 9.932 0.104 9.406 1.00 0.00 O ATOM 184 CB SER A 15 12.431 -1.121 8.343 1.00 0.00 C ATOM 185 OG SER A 15 13.452 -1.710 7.546 1.00 0.00 O ATOM 0 H SER A 15 12.467 0.143 6.191 1.00 0.00 H new ATOM 0 HA SER A 15 10.512 -1.634 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.819 -0.217 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.164 -1.807 9.147 1.00 0.00 H new ATOM 0 HG SER A 15 14.230 -1.910 8.107 1.00 0.00 H new ATOM 191 N THR A 16 10.198 1.505 7.679 1.00 0.00 N ATOM 192 CA THR A 16 9.312 2.537 8.210 1.00 0.00 C ATOM 193 C THR A 16 7.860 2.058 8.099 1.00 0.00 C ATOM 194 O THR A 16 7.456 1.581 7.043 1.00 0.00 O ATOM 195 CB THR A 16 9.615 3.833 7.443 1.00 0.00 C ATOM 196 OG1 THR A 16 10.896 4.295 7.844 1.00 0.00 O ATOM 197 CG2 THR A 16 8.615 4.950 7.693 1.00 0.00 C ATOM 0 H THR A 16 10.672 1.773 6.817 1.00 0.00 H new ATOM 0 HA THR A 16 9.474 2.736 9.269 1.00 0.00 H new ATOM 0 HB THR A 16 9.562 3.590 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.110 5.122 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.900 5.829 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.621 4.623 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.606 5.200 8.754 1.00 0.00 H new ATOM 205 N TYR A 17 7.076 2.167 9.176 1.00 0.00 N ATOM 206 CA TYR A 17 5.646 1.867 9.173 1.00 0.00 C ATOM 207 C TYR A 17 4.882 2.805 8.233 1.00 0.00 C ATOM 208 O TYR A 17 5.350 3.897 7.921 1.00 0.00 O ATOM 209 CB TYR A 17 5.102 2.035 10.595 1.00 0.00 C ATOM 210 CG TYR A 17 5.747 1.149 11.640 1.00 0.00 C ATOM 211 CD1 TYR A 17 5.768 -0.247 11.467 1.00 0.00 C ATOM 212 CD2 TYR A 17 6.322 1.719 12.792 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.359 -1.067 12.444 1.00 0.00 C ATOM 214 CE2 TYR A 17 6.914 0.907 13.770 1.00 0.00 C ATOM 215 CZ TYR A 17 6.929 -0.493 13.604 1.00 0.00 C ATOM 216 OH TYR A 17 7.437 -1.264 14.602 1.00 0.00 O ATOM 0 H TYR A 17 7.424 2.470 10.085 1.00 0.00 H new ATOM 0 HA TYR A 17 5.508 0.844 8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.229 3.075 10.895 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.031 1.835 10.583 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.330 -0.689 10.584 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.307 2.791 12.923 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.378 -2.138 12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.357 1.353 14.648 1.00 0.00 H new ATOM 0 HH TYR A 17 7.785 -0.689 15.315 1.00 0.00 H new ATOM 226 N ILE A 18 3.663 2.431 7.841 1.00 0.00 N ATOM 227 CA ILE A 18 2.824 3.285 6.994 1.00 0.00 C ATOM 228 C ILE A 18 2.361 4.514 7.784 1.00 0.00 C ATOM 229 O ILE A 18 2.557 5.643 7.352 1.00 0.00 O ATOM 230 CB ILE A 18 1.613 2.523 6.397 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.803 1.007 6.216 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.275 3.145 5.034 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.833 0.700 5.139 1.00 0.00 C ATOM 0 H ILE A 18 3.233 1.542 8.096 1.00 0.00 H new ATOM 0 HA ILE A 18 3.433 3.609 6.150 1.00 0.00 H new ATOM 0 HB ILE A 18 0.809 2.627 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.119 0.563 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.850 0.549 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.424 2.622 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.025 4.198 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.135 3.057 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.942 -0.380 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.504 1.122 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.792 1.137 5.417 1.00 0.00 H new ATOM 245 N ARG A 19 1.807 4.325 8.988 1.00 0.00 N ATOM 246 CA ARG A 19 1.318 5.431 9.821 1.00 0.00 C ATOM 247 C ARG A 19 2.414 6.429 10.177 1.00 0.00 C ATOM 248 O ARG A 19 2.110 7.585 10.464 1.00 0.00 O ATOM 249 CB ARG A 19 0.643 4.888 11.088 1.00 0.00 C ATOM 250 CG ARG A 19 1.578 4.068 11.996 1.00 0.00 C ATOM 251 CD ARG A 19 2.103 4.803 13.239 1.00 0.00 C ATOM 252 NE ARG A 19 2.811 3.853 14.114 1.00 0.00 N ATOM 253 CZ ARG A 19 3.830 4.113 14.941 1.00 0.00 C ATOM 254 NH1 ARG A 19 4.198 5.363 15.230 1.00 0.00 N ATOM 255 NH2 ARG A 19 4.491 3.090 15.475 1.00 0.00 N ATOM 0 H ARG A 19 1.685 3.405 9.411 1.00 0.00 H new ATOM 0 HA ARG A 19 0.582 5.975 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.241 5.725 11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.203 4.265 10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.047 3.173 12.321 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.431 3.735 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.775 5.608 12.941 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.275 5.262 13.779 1.00 0.00 H new ATOM 0 HE ARG A 19 2.487 2.886 14.086 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.698 6.150 14.817 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.979 5.531 15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.217 2.133 15.251 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.272 3.262 16.108 1.00 0.00 H new ATOM 269 N ASN A 20 3.678 5.995 10.164 1.00 0.00 N ATOM 270 CA ASN A 20 4.804 6.888 10.397 1.00 0.00 C ATOM 271 C ASN A 20 4.862 7.998 9.347 1.00 0.00 C ATOM 272 O ASN A 20 5.419 9.059 9.634 1.00 0.00 O ATOM 273 CB ASN A 20 6.153 6.148 10.362 1.00 0.00 C ATOM 274 CG ASN A 20 6.581 5.563 11.693 1.00 0.00 C ATOM 275 OD1 ASN A 20 5.762 5.122 12.483 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.880 5.524 11.948 1.00 0.00 N ATOM 0 H ASN A 20 3.942 5.025 9.993 1.00 0.00 H new ATOM 0 HA ASN A 20 4.643 7.308 11.390 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.094 5.344 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.923 6.838 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.216 5.118 12.821 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.544 5.899 11.271 1.00 0.00 H new ATOM 283 N LEU A 21 4.383 7.741 8.128 1.00 0.00 N ATOM 284 CA LEU A 21 4.591 8.626 6.994 1.00 0.00 C ATOM 285 C LEU A 21 3.819 9.925 7.211 1.00 0.00 C ATOM 286 O LEU A 21 2.725 9.916 7.782 1.00 0.00 O ATOM 287 CB LEU A 21 4.188 7.934 5.676 1.00 0.00 C ATOM 288 CG LEU A 21 4.926 6.612 5.323 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.932 6.421 3.806 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.381 6.619 5.800 1.00 0.00 C ATOM 0 H LEU A 21 3.838 6.908 7.905 1.00 0.00 H new ATOM 0 HA LEU A 21 5.651 8.867 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.119 7.726 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.346 8.639 4.860 1.00 0.00 H new ATOM 0 HG LEU A 21 4.395 5.803 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.449 5.494 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.906 6.373 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.445 7.260 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.856 5.676 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.915 7.442 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.408 6.744 6.882 1.00 0.00 H new ATOM 302 N ASN A 22 4.392 11.061 6.799 1.00 0.00 N ATOM 303 CA ASN A 22 3.764 12.363 7.029 1.00 0.00 C ATOM 304 C ASN A 22 2.475 12.445 6.219 1.00 0.00 C ATOM 305 O ASN A 22 2.399 11.921 5.105 1.00 0.00 O ATOM 306 CB ASN A 22 4.667 13.534 6.606 1.00 0.00 C ATOM 307 CG ASN A 22 4.305 14.868 7.245 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.430 14.963 8.097 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.936 15.941 6.800 1.00 0.00 N ATOM 0 H ASN A 22 5.285 11.104 6.307 1.00 0.00 H new ATOM 0 HA ASN A 22 3.574 12.446 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.699 13.291 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.621 13.639 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.696 16.862 7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.663 15.848 6.090 1.00 0.00 H new ATOM 316 N VAL A 23 1.514 13.230 6.693 1.00 0.00 N ATOM 317 CA VAL A 23 0.280 13.536 5.987 1.00 0.00 C ATOM 318 C VAL A 23 0.542 14.138 4.592 1.00 0.00 C ATOM 319 O VAL A 23 -0.268 13.940 3.687 1.00 0.00 O ATOM 320 CB VAL A 23 -0.565 14.422 6.913 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.040 15.819 7.069 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.023 14.500 6.470 1.00 0.00 C ATOM 0 H VAL A 23 1.576 13.683 7.605 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.281 12.628 5.766 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.553 13.943 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.587 16.415 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.041 15.737 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.098 16.301 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.578 15.138 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.076 14.917 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.458 13.500 6.472 1.00 0.00 H new ATOM 332 N GLY A 24 1.682 14.812 4.384 1.00 0.00 N ATOM 333 CA GLY A 24 2.112 15.296 3.077 1.00 0.00 C ATOM 334 C GLY A 24 2.393 14.134 2.123 1.00 0.00 C ATOM 335 O GLY A 24 1.825 14.078 1.036 1.00 0.00 O ATOM 0 H GLY A 24 2.336 15.036 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.342 15.940 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.010 15.904 3.189 1.00 0.00 H new ATOM 339 N ILE A 25 3.231 13.173 2.525 1.00 0.00 N ATOM 340 CA ILE A 25 3.553 11.991 1.735 1.00 0.00 C ATOM 341 C ILE A 25 2.287 11.139 1.537 1.00 0.00 C ATOM 342 O ILE A 25 2.134 10.538 0.474 1.00 0.00 O ATOM 343 CB ILE A 25 4.737 11.237 2.395 1.00 0.00 C ATOM 344 CG1 ILE A 25 6.041 12.075 2.347 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.047 9.908 1.682 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.221 13.137 3.434 1.00 0.00 C ATOM 0 H ILE A 25 3.710 13.200 3.425 1.00 0.00 H new ATOM 0 HA ILE A 25 3.887 12.264 0.734 1.00 0.00 H new ATOM 0 HB ILE A 25 4.425 11.054 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.887 11.390 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.091 12.570 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.883 9.415 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.170 9.262 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.308 10.105 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.171 13.651 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.406 13.858 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.214 12.660 4.414 1.00 0.00 H new ATOM 358 N LEU A 26 1.354 11.113 2.497 1.00 0.00 N ATOM 359 CA LEU A 26 0.037 10.499 2.334 1.00 0.00 C ATOM 360 C LEU A 26 -0.755 11.183 1.216 1.00 0.00 C ATOM 361 O LEU A 26 -1.397 10.490 0.428 1.00 0.00 O ATOM 362 CB LEU A 26 -0.718 10.517 3.675 1.00 0.00 C ATOM 363 CG LEU A 26 -0.339 9.355 4.614 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.634 9.690 6.080 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.134 8.107 4.231 1.00 0.00 C ATOM 0 H LEU A 26 1.498 11.524 3.419 1.00 0.00 H new ATOM 0 HA LEU A 26 0.164 9.459 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.519 11.462 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.790 10.480 3.479 1.00 0.00 H new ATOM 0 HG LEU A 26 0.732 9.181 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.353 8.846 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.061 10.569 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.698 9.894 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.865 7.286 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.201 8.313 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.904 7.831 3.202 1.00 0.00 H new ATOM 377 N ARG A 27 -0.732 12.518 1.110 1.00 0.00 N ATOM 378 CA ARG A 27 -1.363 13.238 -0.007 1.00 0.00 C ATOM 379 C ARG A 27 -0.667 12.935 -1.327 1.00 0.00 C ATOM 380 O ARG A 27 -1.327 12.709 -2.338 1.00 0.00 O ATOM 381 CB ARG A 27 -1.456 14.749 0.282 1.00 0.00 C ATOM 382 CG ARG A 27 -2.757 15.038 1.054 1.00 0.00 C ATOM 383 CD ARG A 27 -2.620 15.934 2.285 1.00 0.00 C ATOM 384 NE ARG A 27 -2.808 17.360 1.978 1.00 0.00 N ATOM 385 CZ ARG A 27 -3.434 18.266 2.740 1.00 0.00 C ATOM 386 NH1 ARG A 27 -4.010 17.950 3.892 1.00 0.00 N ATOM 387 NH2 ARG A 27 -3.487 19.535 2.356 1.00 0.00 N ATOM 0 H ARG A 27 -0.279 13.127 1.791 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.386 12.876 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.594 15.074 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.440 15.312 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.467 15.501 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.189 14.088 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.351 15.629 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.634 15.789 2.726 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.422 17.693 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.986 16.987 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.477 18.670 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.051 19.821 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.964 20.224 2.937 1.00 0.00 H new ATOM 401 N LYS A 28 0.661 12.887 -1.332 1.00 0.00 N ATOM 402 CA LYS A 28 1.397 12.531 -2.546 1.00 0.00 C ATOM 403 C LYS A 28 1.017 11.149 -3.053 1.00 0.00 C ATOM 404 O LYS A 28 0.761 10.985 -4.242 1.00 0.00 O ATOM 405 CB LYS A 28 2.905 12.615 -2.349 1.00 0.00 C ATOM 406 CG LYS A 28 3.353 14.043 -2.017 1.00 0.00 C ATOM 407 CD LYS A 28 4.668 14.352 -2.724 1.00 0.00 C ATOM 408 CE LYS A 28 4.529 14.628 -4.229 1.00 0.00 C ATOM 409 NZ LYS A 28 3.636 15.764 -4.543 1.00 0.00 N ATOM 0 H LYS A 28 1.247 13.087 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 28 1.111 13.266 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.205 11.943 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.410 12.276 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.588 14.755 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.475 14.154 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.127 15.219 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.349 13.513 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.516 14.827 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.150 13.732 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.744 16.024 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.649 15.491 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.886 16.578 -3.945 1.00 0.00 H new ATOM 423 N LEU A 29 0.994 10.165 -2.156 1.00 0.00 N ATOM 424 CA LEU A 29 0.490 8.834 -2.458 1.00 0.00 C ATOM 425 C LEU A 29 -0.915 8.889 -3.045 1.00 0.00 C ATOM 426 O LEU A 29 -1.119 8.273 -4.085 1.00 0.00 O ATOM 427 CB LEU A 29 0.541 7.944 -1.206 1.00 0.00 C ATOM 428 CG LEU A 29 1.780 7.035 -1.135 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.609 5.804 -2.027 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.115 7.723 -1.451 1.00 0.00 C ATOM 0 H LEU A 29 1.326 10.272 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 29 1.136 8.391 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.517 8.579 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.355 7.323 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 29 1.839 6.741 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.499 5.178 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.739 5.235 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.467 6.120 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.925 6.998 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.085 8.128 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.284 8.533 -0.741 1.00 0.00 H new ATOM 442 N SER A 30 -1.875 9.588 -2.431 1.00 0.00 N ATOM 443 CA SER A 30 -3.245 9.584 -2.939 1.00 0.00 C ATOM 444 C SER A 30 -3.340 10.201 -4.329 1.00 0.00 C ATOM 445 O SER A 30 -4.181 9.792 -5.124 1.00 0.00 O ATOM 446 CB SER A 30 -4.183 10.276 -1.958 1.00 0.00 C ATOM 447 OG SER A 30 -3.939 11.664 -1.899 1.00 0.00 O ATOM 0 H SER A 30 -1.730 10.154 -1.595 1.00 0.00 H new ATOM 0 HA SER A 30 -3.558 8.544 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.217 10.100 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.059 9.841 -0.966 1.00 0.00 H new ATOM 0 HG SER A 30 -2.990 11.837 -2.073 1.00 0.00 H new ATOM 453 N ASP A 31 -2.459 11.143 -4.664 1.00 0.00 N ATOM 454 CA ASP A 31 -2.413 11.718 -6.000 1.00 0.00 C ATOM 455 C ASP A 31 -2.120 10.658 -7.062 1.00 0.00 C ATOM 456 O ASP A 31 -2.471 10.864 -8.224 1.00 0.00 O ATOM 457 CB ASP A 31 -1.420 12.885 -6.065 1.00 0.00 C ATOM 458 CG ASP A 31 -2.125 14.208 -5.811 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.988 14.593 -6.632 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.825 14.857 -4.782 1.00 0.00 O ATOM 0 H ASP A 31 -1.765 11.524 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.402 12.119 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.632 12.740 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.940 12.906 -7.043 1.00 0.00 H new ATOM 465 N PHE A 32 -1.498 9.533 -6.683 1.00 0.00 N ATOM 466 CA PHE A 32 -1.177 8.425 -7.575 1.00 0.00 C ATOM 467 C PHE A 32 -2.060 7.189 -7.337 1.00 0.00 C ATOM 468 O PHE A 32 -2.204 6.380 -8.252 1.00 0.00 O ATOM 469 CB PHE A 32 0.309 8.052 -7.417 1.00 0.00 C ATOM 470 CG PHE A 32 1.334 9.184 -7.432 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.091 10.405 -8.093 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.568 9.001 -6.779 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.039 11.439 -8.049 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.534 10.018 -6.770 1.00 0.00 C ATOM 475 CZ PHE A 32 3.266 11.246 -7.392 1.00 0.00 C ATOM 0 H PHE A 32 -1.199 9.370 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.377 8.760 -8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.420 7.512 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.566 7.357 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.169 10.546 -8.637 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.773 8.066 -6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.825 12.386 -8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.485 9.855 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.999 12.039 -7.366 1.00 0.00 H new ATOM 485 N ILE A 33 -2.560 6.983 -6.113 1.00 0.00 N ATOM 486 CA ILE A 33 -3.270 5.778 -5.672 1.00 0.00 C ATOM 487 C ILE A 33 -4.802 5.949 -5.622 1.00 0.00 C ATOM 488 O ILE A 33 -5.519 4.955 -5.745 1.00 0.00 O ATOM 489 CB ILE A 33 -2.656 5.305 -4.331 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.153 4.957 -4.417 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.344 4.074 -3.740 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.834 3.679 -5.205 1.00 0.00 C ATOM 0 H ILE A 33 -2.477 7.680 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.129 4.995 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.807 6.174 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.626 5.793 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.760 4.852 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.860 3.802 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.394 4.298 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.269 3.243 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.244 3.515 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.327 2.829 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.191 3.784 -6.229 1.00 0.00 H new ATOM 504 N ASP A 34 -5.331 7.164 -5.432 1.00 0.00 N ATOM 505 CA ASP A 34 -6.769 7.409 -5.578 1.00 0.00 C ATOM 506 C ASP A 34 -7.211 7.212 -7.037 1.00 0.00 C ATOM 507 O ASP A 34 -8.256 6.583 -7.231 1.00 0.00 O ATOM 508 CB ASP A 34 -7.239 8.781 -5.054 1.00 0.00 C ATOM 509 CG ASP A 34 -7.385 8.890 -3.529 1.00 0.00 C ATOM 510 OD1 ASP A 34 -7.129 7.917 -2.787 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.745 9.989 -3.040 1.00 0.00 O ATOM 0 H ASP A 34 -4.787 7.989 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.253 6.668 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.532 9.540 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.200 9.016 -5.512 1.00 0.00 H new ATOM 516 N PRO A 35 -6.478 7.692 -8.073 1.00 0.00 N ATOM 517 CA PRO A 35 -6.809 7.356 -9.452 1.00 0.00 C ATOM 518 C PRO A 35 -6.533 5.881 -9.723 1.00 0.00 C ATOM 519 O PRO A 35 -5.786 5.217 -8.997 1.00 0.00 O ATOM 520 CB PRO A 35 -5.934 8.244 -10.350 1.00 0.00 C ATOM 521 CG PRO A 35 -4.739 8.567 -9.466 1.00 0.00 C ATOM 522 CD PRO A 35 -5.352 8.622 -8.069 1.00 0.00 C ATOM 0 HA PRO A 35 -7.867 7.528 -9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.633 7.724 -11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.461 9.147 -10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.965 7.803 -9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.277 9.515 -9.742 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.619 8.341 -7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.684 9.632 -7.831 1.00 0.00 H new ATOM 530 N GLN A 36 -7.087 5.405 -10.840 1.00 0.00 N ATOM 531 CA GLN A 36 -6.953 4.041 -11.323 1.00 0.00 C ATOM 532 C GLN A 36 -7.432 3.015 -10.282 1.00 0.00 C ATOM 533 O GLN A 36 -7.102 1.837 -10.418 1.00 0.00 O ATOM 534 CB GLN A 36 -5.501 3.806 -11.791 1.00 0.00 C ATOM 535 CG GLN A 36 -5.078 4.682 -12.982 1.00 0.00 C ATOM 536 CD GLN A 36 -3.560 4.741 -13.150 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.836 3.778 -12.904 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.032 5.892 -13.534 1.00 0.00 N ATOM 0 H GLN A 36 -7.661 5.985 -11.451 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.607 3.896 -12.183 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.826 3.995 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.384 2.757 -12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.527 4.291 -13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.465 5.691 -12.843 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.637 6.688 -13.737 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.020 5.983 -13.627 1.00 0.00 H new ATOM 547 N GLU A 37 -8.208 3.416 -9.266 1.00 0.00 N ATOM 548 CA GLU A 37 -8.570 2.585 -8.126 1.00 0.00 C ATOM 549 C GLU A 37 -7.336 1.896 -7.514 1.00 0.00 C ATOM 550 O GLU A 37 -7.425 0.792 -6.976 1.00 0.00 O ATOM 551 CB GLU A 37 -9.755 1.681 -8.537 1.00 0.00 C ATOM 552 CG GLU A 37 -11.078 2.437 -8.319 1.00 0.00 C ATOM 553 CD GLU A 37 -12.169 2.138 -9.357 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.801 1.059 -9.326 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.481 3.038 -10.173 1.00 0.00 O ATOM 0 H GLU A 37 -8.608 4.353 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.935 3.179 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.658 1.390 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.747 0.763 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.461 2.192 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.874 3.508 -8.325 1.00 0.00 H new ATOM 562 N GLY A 38 -6.181 2.573 -7.548 1.00 0.00 N ATOM 563 CA GLY A 38 -4.921 2.103 -6.996 1.00 0.00 C ATOM 564 C GLY A 38 -5.069 1.595 -5.564 1.00 0.00 C ATOM 565 O GLY A 38 -4.478 0.578 -5.210 1.00 0.00 O ATOM 0 H GLY A 38 -6.104 3.495 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.528 1.304 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.192 2.913 -7.018 1.00 0.00 H new ATOM 569 N TRP A 39 -5.852 2.280 -4.731 1.00 0.00 N ATOM 570 CA TRP A 39 -6.096 1.891 -3.356 1.00 0.00 C ATOM 571 C TRP A 39 -6.852 0.565 -3.272 1.00 0.00 C ATOM 572 O TRP A 39 -6.534 -0.256 -2.415 1.00 0.00 O ATOM 573 CB TRP A 39 -6.897 2.983 -2.651 1.00 0.00 C ATOM 574 CG TRP A 39 -8.272 3.216 -3.190 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.608 4.002 -4.239 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.500 2.578 -2.747 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.967 3.901 -4.465 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.566 3.028 -3.576 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.792 1.621 -1.753 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.876 2.561 -3.398 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.099 1.149 -1.574 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.142 1.650 -2.364 1.00 0.00 C ATOM 0 H TRP A 39 -6.339 3.134 -5.004 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.131 1.759 -2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.977 2.727 -1.595 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.338 3.917 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.922 4.612 -4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.466 4.407 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.999 1.248 -1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.670 2.898 -4.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.303 0.398 -0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.157 1.333 -2.176 1.00 0.00 H new ATOM 593 N LYS A 40 -7.842 0.328 -4.144 1.00 0.00 N ATOM 594 CA LYS A 40 -8.534 -0.958 -4.184 1.00 0.00 C ATOM 595 C LYS A 40 -7.540 -2.035 -4.542 1.00 0.00 C ATOM 596 O LYS A 40 -7.571 -3.094 -3.925 1.00 0.00 O ATOM 597 CB LYS A 40 -9.680 -0.968 -5.213 1.00 0.00 C ATOM 598 CG LYS A 40 -11.007 -0.772 -4.492 1.00 0.00 C ATOM 599 CD LYS A 40 -12.255 -1.008 -5.342 1.00 0.00 C ATOM 600 CE LYS A 40 -12.581 0.119 -6.305 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.831 -0.164 -7.034 1.00 0.00 N ATOM 0 H LYS A 40 -8.177 1.009 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.969 -1.137 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.532 -0.176 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.686 -1.912 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.039 -1.445 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.042 0.245 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.124 -1.929 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.107 -1.161 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.678 1.056 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.762 0.247 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.859 0.400 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.872 -1.175 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.645 0.083 -6.436 1.00 0.00 H new ATOM 615 N LYS A 41 -6.654 -1.741 -5.489 1.00 0.00 N ATOM 616 CA LYS A 41 -5.678 -2.711 -5.948 1.00 0.00 C ATOM 617 C LYS A 41 -4.727 -3.022 -4.791 1.00 0.00 C ATOM 618 O LYS A 41 -4.396 -4.178 -4.563 1.00 0.00 O ATOM 619 CB LYS A 41 -4.974 -2.211 -7.204 1.00 0.00 C ATOM 620 CG LYS A 41 -5.922 -2.024 -8.405 1.00 0.00 C ATOM 621 CD LYS A 41 -5.299 -1.031 -9.394 1.00 0.00 C ATOM 622 CE LYS A 41 -4.159 -1.628 -10.223 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.637 -2.408 -11.376 1.00 0.00 N ATOM 0 H LYS A 41 -6.596 -0.834 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.161 -3.643 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.486 -1.261 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.189 -2.917 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.099 -2.981 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.890 -1.657 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.075 -0.666 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.924 -0.169 -8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.514 -0.824 -10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.549 -2.268 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.823 -2.788 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.230 -3.194 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.196 -1.794 -12.002 1.00 0.00 H new ATOM 637 N LEU A 42 -4.269 -2.007 -4.055 1.00 0.00 N ATOM 638 CA LEU A 42 -3.445 -2.180 -2.877 1.00 0.00 C ATOM 639 C LEU A 42 -4.176 -3.062 -1.859 1.00 0.00 C ATOM 640 O LEU A 42 -3.674 -4.118 -1.489 1.00 0.00 O ATOM 641 CB LEU A 42 -3.090 -0.778 -2.350 1.00 0.00 C ATOM 642 CG LEU A 42 -1.897 -0.656 -1.387 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.360 -0.252 0.015 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.960 -1.870 -1.321 1.00 0.00 C ATOM 0 H LEU A 42 -4.468 -1.030 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.513 -2.700 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.894 -0.137 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.970 -0.377 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.286 0.136 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.496 -0.173 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.869 0.711 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.045 -1.006 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.157 -1.672 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.522 -2.746 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.535 -2.056 -2.307 1.00 0.00 H new ATOM 656 N ALA A 43 -5.387 -2.676 -1.457 1.00 0.00 N ATOM 657 CA ALA A 43 -6.185 -3.402 -0.482 1.00 0.00 C ATOM 658 C ALA A 43 -6.405 -4.871 -0.868 1.00 0.00 C ATOM 659 O ALA A 43 -6.183 -5.748 -0.036 1.00 0.00 O ATOM 660 CB ALA A 43 -7.506 -2.663 -0.290 1.00 0.00 C ATOM 0 H ALA A 43 -5.844 -1.835 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.640 -3.433 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.118 -3.195 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.309 -1.653 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.036 -2.613 -1.241 1.00 0.00 H new ATOM 666 N VAL A 44 -6.821 -5.157 -2.105 1.00 0.00 N ATOM 667 CA VAL A 44 -7.114 -6.485 -2.609 1.00 0.00 C ATOM 668 C VAL A 44 -5.846 -7.333 -2.796 1.00 0.00 C ATOM 669 O VAL A 44 -5.937 -8.552 -2.964 1.00 0.00 O ATOM 670 CB VAL A 44 -7.950 -6.265 -3.890 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.151 -6.041 -5.171 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.941 -7.375 -4.118 1.00 0.00 C ATOM 0 H VAL A 44 -6.966 -4.431 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.687 -7.081 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.469 -5.329 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.836 -5.898 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.525 -5.156 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.521 -6.909 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.506 -7.177 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.410 -8.322 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.626 -7.431 -3.272 1.00 0.00 H new ATOM 682 N ALA A 45 -4.662 -6.713 -2.776 1.00 0.00 N ATOM 683 CA ALA A 45 -3.377 -7.393 -2.742 1.00 0.00 C ATOM 684 C ALA A 45 -2.929 -7.687 -1.308 1.00 0.00 C ATOM 685 O ALA A 45 -2.174 -8.631 -1.093 1.00 0.00 O ATOM 686 CB ALA A 45 -2.334 -6.513 -3.440 1.00 0.00 C ATOM 0 H ALA A 45 -4.576 -5.697 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.478 -8.348 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.365 -7.012 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.635 -6.343 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.259 -5.557 -2.922 1.00 0.00 H new ATOM 692 N ILE A 46 -3.348 -6.886 -0.322 1.00 0.00 N ATOM 693 CA ILE A 46 -2.910 -7.046 1.060 1.00 0.00 C ATOM 694 C ILE A 46 -3.613 -8.271 1.655 1.00 0.00 C ATOM 695 O ILE A 46 -4.831 -8.291 1.874 1.00 0.00 O ATOM 696 CB ILE A 46 -3.135 -5.755 1.875 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.200 -4.627 1.395 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.818 -5.972 3.364 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.686 -3.239 1.816 1.00 0.00 C ATOM 0 H ILE A 46 -3.998 -6.113 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.835 -7.221 1.097 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.182 -5.486 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.200 -4.794 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.119 -4.665 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.986 -5.044 3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.466 -6.752 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.776 -6.274 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.990 -2.484 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.674 -3.056 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.741 -3.187 2.903 1.00 0.00 H new ATOM 711 N LYS A 47 -2.823 -9.293 1.968 1.00 0.00 N ATOM 712 CA LYS A 47 -3.271 -10.525 2.597 1.00 0.00 C ATOM 713 C LYS A 47 -2.818 -10.539 4.055 1.00 0.00 C ATOM 714 O LYS A 47 -1.794 -9.953 4.400 1.00 0.00 O ATOM 715 CB LYS A 47 -2.731 -11.723 1.800 1.00 0.00 C ATOM 716 CG LYS A 47 -3.203 -11.761 0.332 1.00 0.00 C ATOM 717 CD LYS A 47 -4.729 -11.815 0.169 1.00 0.00 C ATOM 718 CE LYS A 47 -5.129 -12.053 -1.294 1.00 0.00 C ATOM 719 NZ LYS A 47 -6.444 -12.726 -1.377 1.00 0.00 N ATOM 0 H LYS A 47 -1.820 -9.283 1.783 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.359 -10.592 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.641 -11.699 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.039 -12.644 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.824 -10.879 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.764 -12.630 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.135 -12.611 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.167 -10.881 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.168 -11.101 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.372 -12.662 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.741 -12.786 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.369 -13.684 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.147 -12.182 -0.838 1.00 0.00 H new ATOM 733 N LYS A 48 -3.600 -11.156 4.941 1.00 0.00 N ATOM 734 CA LYS A 48 -3.223 -11.458 6.315 1.00 0.00 C ATOM 735 C LYS A 48 -2.021 -12.402 6.297 1.00 0.00 C ATOM 736 O LYS A 48 -1.808 -13.083 5.296 1.00 0.00 O ATOM 737 CB LYS A 48 -4.412 -12.115 7.050 1.00 0.00 C ATOM 738 CG LYS A 48 -5.378 -11.065 7.606 1.00 0.00 C ATOM 739 CD LYS A 48 -6.417 -11.624 8.588 1.00 0.00 C ATOM 740 CE LYS A 48 -7.681 -12.022 7.837 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.566 -12.883 8.643 1.00 0.00 N ATOM 0 H LYS A 48 -4.543 -11.468 4.711 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.957 -10.541 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.945 -12.775 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.039 -12.736 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.802 -10.287 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.899 -10.590 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.007 -12.488 9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.654 -10.876 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.223 -11.124 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.407 -12.544 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.711 -13.788 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.129 -13.058 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.483 -12.411 8.776 1.00 0.00 H new ATOM 755 N PRO A 49 -1.303 -12.549 7.423 1.00 0.00 N ATOM 756 CA PRO A 49 -0.124 -13.401 7.506 1.00 0.00 C ATOM 757 C PRO A 49 -0.431 -14.833 7.055 1.00 0.00 C ATOM 758 O PRO A 49 0.314 -15.408 6.257 1.00 0.00 O ATOM 759 CB PRO A 49 0.342 -13.332 8.966 1.00 0.00 C ATOM 760 CG PRO A 49 -0.236 -12.009 9.463 1.00 0.00 C ATOM 761 CD PRO A 49 -1.563 -11.933 8.713 1.00 0.00 C ATOM 0 HA PRO A 49 0.665 -13.060 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.031 -14.176 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.429 -13.348 9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.379 -12.008 10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.414 -11.167 9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.351 -12.461 9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.892 -10.900 8.598 1.00 0.00 H new ATOM 769 N SER A 50 -1.554 -15.398 7.512 1.00 0.00 N ATOM 770 CA SER A 50 -1.973 -16.732 7.109 1.00 0.00 C ATOM 771 C SER A 50 -2.375 -16.845 5.630 1.00 0.00 C ATOM 772 O SER A 50 -2.293 -17.954 5.110 1.00 0.00 O ATOM 773 CB SER A 50 -3.090 -17.220 8.043 1.00 0.00 C ATOM 774 OG SER A 50 -2.519 -18.099 8.995 1.00 0.00 O ATOM 0 H SER A 50 -2.189 -14.942 8.167 1.00 0.00 H new ATOM 0 HA SER A 50 -1.104 -17.383 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.564 -16.375 8.542 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.867 -17.730 7.473 1.00 0.00 H new ATOM 0 HG SER A 50 -3.217 -18.421 9.603 1.00 0.00 H new ATOM 780 N GLY A 51 -2.743 -15.761 4.937 1.00 0.00 N ATOM 781 CA GLY A 51 -3.118 -15.815 3.529 1.00 0.00 C ATOM 782 C GLY A 51 -4.576 -15.481 3.246 1.00 0.00 C ATOM 783 O GLY A 51 -4.971 -15.516 2.081 1.00 0.00 O ATOM 0 H GLY A 51 -2.787 -14.825 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.486 -15.123 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.908 -16.815 3.149 1.00 0.00 H new ATOM 787 N ASP A 52 -5.376 -15.178 4.268 1.00 0.00 N ATOM 788 CA ASP A 52 -6.679 -14.532 4.097 1.00 0.00 C ATOM 789 C ASP A 52 -6.481 -13.142 3.504 1.00 0.00 C ATOM 790 O ASP A 52 -5.370 -12.623 3.484 1.00 0.00 O ATOM 791 CB ASP A 52 -7.402 -14.393 5.441 1.00 0.00 C ATOM 792 CG ASP A 52 -8.346 -15.539 5.787 1.00 0.00 C ATOM 793 OD1 ASP A 52 -8.595 -16.446 4.962 1.00 0.00 O ATOM 794 OD2 ASP A 52 -8.847 -15.489 6.933 1.00 0.00 O ATOM 0 H ASP A 52 -5.139 -15.374 5.241 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.282 -15.150 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.656 -14.306 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.970 -13.463 5.436 1.00 0.00 H new ATOM 799 N ASP A 53 -7.549 -12.478 3.080 1.00 0.00 N ATOM 800 CA ASP A 53 -7.496 -11.064 2.734 1.00 0.00 C ATOM 801 C ASP A 53 -7.360 -10.243 4.015 1.00 0.00 C ATOM 802 O ASP A 53 -7.962 -10.604 5.029 1.00 0.00 O ATOM 803 CB ASP A 53 -8.787 -10.627 2.048 1.00 0.00 C ATOM 804 CG ASP A 53 -9.063 -11.338 0.732 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.355 -11.059 -0.262 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.022 -12.137 0.676 1.00 0.00 O ATOM 0 H ASP A 53 -8.470 -12.901 2.967 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.649 -10.907 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.623 -10.802 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.744 -9.553 1.866 1.00 0.00 H new ATOM 811 N ARG A 54 -6.655 -9.099 4.002 1.00 0.00 N ATOM 812 CA ARG A 54 -6.912 -8.084 5.038 1.00 0.00 C ATOM 813 C ARG A 54 -8.171 -7.283 4.711 1.00 0.00 C ATOM 814 O ARG A 54 -8.872 -6.862 5.638 1.00 0.00 O ATOM 815 CB ARG A 54 -5.726 -7.132 5.281 1.00 0.00 C ATOM 816 CG ARG A 54 -4.547 -7.870 5.935 1.00 0.00 C ATOM 817 CD ARG A 54 -3.543 -6.962 6.651 1.00 0.00 C ATOM 818 NE ARG A 54 -2.579 -7.730 7.460 1.00 0.00 N ATOM 819 CZ ARG A 54 -1.303 -8.029 7.176 1.00 0.00 C ATOM 820 NH1 ARG A 54 -0.796 -7.780 5.972 1.00 0.00 N ATOM 821 NH2 ARG A 54 -0.544 -8.584 8.114 1.00 0.00 N ATOM 0 H ARG A 54 -5.935 -8.860 3.320 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.059 -8.638 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.406 -6.696 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.043 -6.308 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.940 -8.591 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.020 -8.438 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.004 -6.367 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.080 -6.264 7.294 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.928 -8.080 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.379 -7.356 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.176 -8.013 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.933 -8.778 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.428 -8.817 7.912 1.00 0.00 H new ATOM 835 N TYR A 55 -8.503 -7.101 3.429 1.00 0.00 N ATOM 836 CA TYR A 55 -9.670 -6.343 2.996 1.00 0.00 C ATOM 837 C TYR A 55 -10.404 -7.143 1.936 1.00 0.00 C ATOM 838 O TYR A 55 -9.807 -7.653 0.989 1.00 0.00 O ATOM 839 CB TYR A 55 -9.274 -4.972 2.441 1.00 0.00 C ATOM 840 CG TYR A 55 -8.403 -4.162 3.374 1.00 0.00 C ATOM 841 CD1 TYR A 55 -9.001 -3.365 4.368 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.000 -4.256 3.286 1.00 0.00 C ATOM 843 CE1 TYR A 55 -8.197 -2.629 5.251 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.191 -3.551 4.194 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.791 -2.719 5.168 1.00 0.00 C ATOM 846 OH TYR A 55 -6.029 -2.033 6.052 1.00 0.00 O ATOM 0 H TYR A 55 -7.958 -7.483 2.656 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.318 -6.172 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.747 -5.111 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.178 -4.405 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.077 -3.320 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.546 -4.869 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.654 -1.993 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.116 -3.644 4.148 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.111 -2.375 6.027 1.00 0.00 H new ATOM 856 N ASN A 56 -11.714 -7.269 2.119 1.00 0.00 N ATOM 857 CA ASN A 56 -12.629 -7.744 1.099 1.00 0.00 C ATOM 858 C ASN A 56 -13.666 -6.667 0.813 1.00 0.00 C ATOM 859 O ASN A 56 -13.698 -5.625 1.479 1.00 0.00 O ATOM 860 CB ASN A 56 -13.311 -9.047 1.525 1.00 0.00 C ATOM 861 CG ASN A 56 -14.236 -8.839 2.718 1.00 0.00 C ATOM 862 OD1 ASN A 56 -15.358 -8.369 2.560 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.794 -9.151 3.921 1.00 0.00 N ATOM 0 H ASN A 56 -12.174 -7.038 3.000 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.062 -7.954 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.882 -9.448 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.553 -9.788 1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.388 -9.002 4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.858 -9.541 4.035 1.00 0.00 H new ATOM 870 N GLN A 57 -14.556 -6.988 -0.125 1.00 0.00 N ATOM 871 CA GLN A 57 -15.689 -6.219 -0.604 1.00 0.00 C ATOM 872 C GLN A 57 -16.391 -5.349 0.442 1.00 0.00 C ATOM 873 O GLN A 57 -16.775 -4.222 0.134 1.00 0.00 O ATOM 874 CB GLN A 57 -16.709 -7.162 -1.258 1.00 0.00 C ATOM 875 CG GLN A 57 -17.043 -8.417 -0.432 1.00 0.00 C ATOM 876 CD GLN A 57 -18.264 -9.138 -0.971 1.00 0.00 C ATOM 877 OE1 GLN A 57 -19.278 -9.229 -0.283 1.00 0.00 O ATOM 878 NE2 GLN A 57 -18.210 -9.644 -2.188 1.00 0.00 N ATOM 0 H GLN A 57 -14.489 -7.882 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.271 -5.514 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.630 -6.609 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.325 -7.474 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.189 -9.094 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.217 -8.133 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.357 -9.556 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.022 -10.124 -2.577 1.00 0.00 H new ATOM 887 N PHE A 58 -16.591 -5.863 1.654 1.00 0.00 N ATOM 888 CA PHE A 58 -17.320 -5.189 2.713 1.00 0.00 C ATOM 889 C PHE A 58 -16.553 -3.948 3.179 1.00 0.00 C ATOM 890 O PHE A 58 -17.116 -2.853 3.253 1.00 0.00 O ATOM 891 CB PHE A 58 -17.537 -6.209 3.840 1.00 0.00 C ATOM 892 CG PHE A 58 -18.421 -5.726 4.970 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.772 -5.429 4.715 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.914 -5.601 6.279 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.619 -5.016 5.757 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.764 -5.181 7.319 1.00 0.00 C ATOM 897 CZ PHE A 58 -20.114 -4.889 7.059 1.00 0.00 C ATOM 0 H PHE A 58 -16.240 -6.781 1.928 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.289 -4.831 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.975 -7.112 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.567 -6.488 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.161 -5.519 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.878 -5.827 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.657 -4.797 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.377 -5.083 8.322 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.762 -4.567 7.861 1.00 0.00 H new ATOM 907 N HIS A 59 -15.250 -4.101 3.433 1.00 0.00 N ATOM 908 CA HIS A 59 -14.381 -3.018 3.880 1.00 0.00 C ATOM 909 C HIS A 59 -14.097 -2.082 2.709 1.00 0.00 C ATOM 910 O HIS A 59 -13.966 -0.874 2.880 1.00 0.00 O ATOM 911 CB HIS A 59 -13.080 -3.597 4.466 1.00 0.00 C ATOM 912 CG HIS A 59 -13.325 -4.639 5.536 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.734 -5.880 5.620 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.240 -4.550 6.553 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.315 -6.536 6.635 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.233 -5.767 7.247 1.00 0.00 N ATOM 0 H HIS A 59 -14.767 -4.993 3.331 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.874 -2.446 4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.492 -4.041 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.485 -2.786 4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.857 -3.693 6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.077 -7.549 6.923 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.807 -6.018 8.052 1.00 0.00 H new ATOM 924 N ILE A 60 -14.043 -2.625 1.493 1.00 0.00 N ATOM 925 CA ILE A 60 -13.872 -1.832 0.290 1.00 0.00 C ATOM 926 C ILE A 60 -15.058 -0.900 0.092 1.00 0.00 C ATOM 927 O ILE A 60 -14.836 0.290 -0.088 1.00 0.00 O ATOM 928 CB ILE A 60 -13.600 -2.753 -0.906 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.260 -3.492 -0.739 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.606 -1.986 -2.229 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.014 -2.611 -0.588 1.00 0.00 C ATOM 0 H ILE A 60 -14.117 -3.628 1.321 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.000 -1.185 0.388 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.409 -3.483 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.332 -4.137 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.117 -4.142 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.409 -2.675 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.580 -1.518 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.833 -1.218 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.133 -3.243 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.902 -1.984 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.120 -1.979 0.294 1.00 0.00 H new ATOM 943 N ARG A 61 -16.303 -1.378 0.150 1.00 0.00 N ATOM 944 CA ARG A 61 -17.470 -0.510 -0.034 1.00 0.00 C ATOM 945 C ARG A 61 -17.517 0.622 0.990 1.00 0.00 C ATOM 946 O ARG A 61 -17.957 1.722 0.654 1.00 0.00 O ATOM 947 CB ARG A 61 -18.754 -1.340 0.030 1.00 0.00 C ATOM 948 CG ARG A 61 -19.052 -2.033 -1.303 1.00 0.00 C ATOM 949 CD ARG A 61 -19.602 -1.080 -2.381 1.00 0.00 C ATOM 950 NE ARG A 61 -21.000 -1.394 -2.728 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.115 -0.895 -2.185 1.00 0.00 C ATOM 952 NH1 ARG A 61 -22.083 0.053 -1.252 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.296 -1.368 -2.573 1.00 0.00 N ATOM 0 H ARG A 61 -16.529 -2.358 0.322 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.383 -0.048 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.663 -2.089 0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.590 -0.695 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.139 -2.499 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.773 -2.833 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.538 -0.052 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.982 -1.146 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.133 -2.076 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.188 0.421 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.953 0.411 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.344 -2.104 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.154 -0.995 -2.166 1.00 0.00 H new ATOM 967 N ARG A 62 -17.030 0.392 2.210 1.00 0.00 N ATOM 968 CA ARG A 62 -16.819 1.433 3.196 1.00 0.00 C ATOM 969 C ARG A 62 -15.829 2.460 2.654 1.00 0.00 C ATOM 970 O ARG A 62 -16.197 3.624 2.556 1.00 0.00 O ATOM 971 CB ARG A 62 -16.347 0.797 4.507 1.00 0.00 C ATOM 972 CG ARG A 62 -17.402 -0.076 5.190 1.00 0.00 C ATOM 973 CD ARG A 62 -18.221 0.758 6.168 1.00 0.00 C ATOM 974 NE ARG A 62 -17.618 0.749 7.512 1.00 0.00 N ATOM 975 CZ ARG A 62 -16.912 1.722 8.097 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.788 2.928 7.549 1.00 0.00 N ATOM 977 NH2 ARG A 62 -16.315 1.471 9.250 1.00 0.00 N ATOM 0 H ARG A 62 -16.770 -0.538 2.538 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.750 1.961 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.463 0.192 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.044 1.587 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.058 -0.520 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.918 -0.898 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.291 1.783 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.237 0.368 6.220 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.755 -0.100 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.239 3.132 6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.242 3.649 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.398 0.548 9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.772 2.200 9.712 1.00 0.00 H new ATOM 991 N PHE A 63 -14.615 2.061 2.257 1.00 0.00 N ATOM 992 CA PHE A 63 -13.644 2.982 1.658 1.00 0.00 C ATOM 993 C PHE A 63 -14.201 3.689 0.410 1.00 0.00 C ATOM 994 O PHE A 63 -13.884 4.857 0.193 1.00 0.00 O ATOM 995 CB PHE A 63 -12.336 2.261 1.303 1.00 0.00 C ATOM 996 CG PHE A 63 -11.454 1.822 2.460 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.790 2.776 3.256 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.209 0.454 2.680 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.921 2.362 4.282 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.338 0.043 3.702 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.689 0.994 4.505 1.00 0.00 C ATOM 0 H PHE A 63 -14.281 1.101 2.341 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.439 3.742 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.585 1.379 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.750 2.919 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.949 3.829 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.694 -0.285 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.430 3.099 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.167 -1.010 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.016 0.677 5.288 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.044 3.029 -0.391 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.724 3.654 -1.515 1.00 0.00 C ATOM 1013 C GLU A 64 -16.607 4.774 -0.979 1.00 0.00 C ATOM 1014 O GLU A 64 -16.503 5.890 -1.462 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.533 2.664 -2.378 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.639 1.698 -3.173 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.355 0.775 -4.166 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.606 0.729 -4.146 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -15.642 0.081 -4.928 1.00 0.00 O ATOM 0 H GLU A 64 -15.270 2.042 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.966 4.055 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.199 2.089 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.162 3.223 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.902 2.285 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.089 1.078 -2.465 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.429 4.538 0.045 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.278 5.586 0.600 1.00 0.00 C ATOM 1028 C ALA A 65 -17.456 6.778 1.118 1.00 0.00 C ATOM 1029 O ALA A 65 -17.927 7.916 1.062 1.00 0.00 O ATOM 1030 CB ALA A 65 -19.171 5.010 1.697 1.00 0.00 C ATOM 0 H ALA A 65 -17.523 3.632 0.504 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.910 5.967 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.801 5.800 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.800 4.224 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.550 4.594 2.491 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.219 6.567 1.586 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.319 7.663 1.936 1.00 0.00 C ATOM 1038 C LEU A 66 -14.987 8.468 0.677 1.00 0.00 C ATOM 1039 O LEU A 66 -15.279 9.663 0.636 1.00 0.00 O ATOM 1040 CB LEU A 66 -14.061 7.150 2.662 1.00 0.00 C ATOM 1041 CG LEU A 66 -14.390 6.279 3.890 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -13.118 5.680 4.476 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -15.149 7.038 4.989 1.00 0.00 C ATOM 0 H LEU A 66 -15.821 5.639 1.730 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.817 8.328 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.456 6.571 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.458 8.001 2.978 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.048 5.488 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.370 5.068 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.628 5.061 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.445 6.482 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.349 6.366 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.545 7.877 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.092 7.410 4.589 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.468 7.834 -0.380 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.089 8.527 -1.615 1.00 0.00 C ATOM 1057 C LEU A 67 -15.287 9.173 -2.307 1.00 0.00 C ATOM 1058 O LEU A 67 -15.170 10.247 -2.888 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.294 7.580 -2.531 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.042 6.737 -3.585 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.292 7.462 -4.907 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.216 5.498 -3.923 1.00 0.00 C ATOM 0 H LEU A 67 -14.299 6.828 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.432 9.357 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.554 8.181 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.745 6.890 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.006 6.503 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.822 6.799 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.894 8.353 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.339 7.752 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.743 4.901 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.248 5.803 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.066 4.904 -3.022 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.468 8.562 -2.215 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.716 9.073 -2.772 1.00 0.00 C ATOM 1076 C GLN A 68 -18.227 10.283 -1.973 1.00 0.00 C ATOM 1077 O GLN A 68 -19.216 10.908 -2.364 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.772 7.956 -2.815 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.325 6.698 -3.591 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.083 6.435 -4.879 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.113 5.759 -4.856 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.553 6.870 -6.012 1.00 0.00 N ATOM 0 H GLN A 68 -16.584 7.669 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.525 9.411 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.025 7.670 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.681 8.347 -3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.264 6.791 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.433 5.831 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.699 7.428 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.999 6.647 -6.902 1.00 0.00 H new ATOM 1091 N THR A 69 -17.560 10.632 -0.874 1.00 0.00 N ATOM 1092 CA THR A 69 -17.772 11.842 -0.087 1.00 0.00 C ATOM 1093 C THR A 69 -16.481 12.668 0.006 1.00 0.00 C ATOM 1094 O THR A 69 -16.419 13.655 0.737 1.00 0.00 O ATOM 1095 CB THR A 69 -18.391 11.471 1.271 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.576 10.608 2.043 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.721 10.759 1.038 1.00 0.00 C ATOM 0 H THR A 69 -16.819 10.046 -0.490 1.00 0.00 H new ATOM 0 HA THR A 69 -18.489 12.496 -0.583 1.00 0.00 H new ATOM 0 HB THR A 69 -18.511 12.405 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.800 10.330 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.165 10.493 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.397 11.420 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.552 9.854 0.454 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.457 12.273 -0.746 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.222 13.002 -0.949 1.00 0.00 C ATOM 1107 C GLY A 70 -13.172 12.813 0.137 1.00 0.00 C ATOM 1108 O GLY A 70 -12.135 13.482 0.076 1.00 0.00 O ATOM 0 H GLY A 70 -15.474 11.389 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.793 12.699 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.454 14.064 -1.027 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.407 11.946 1.126 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.370 11.509 2.037 1.00 0.00 C ATOM 1114 C LYS A 71 -11.503 10.493 1.312 1.00 0.00 C ATOM 1115 O LYS A 71 -12.022 9.497 0.812 1.00 0.00 O ATOM 1116 CB LYS A 71 -13.017 10.896 3.277 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.466 12.001 4.250 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.343 11.575 5.714 1.00 0.00 C ATOM 1119 CE LYS A 71 -11.851 11.386 6.002 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.542 11.183 7.427 1.00 0.00 N ATOM 0 H LYS A 71 -14.322 11.534 1.309 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.750 12.346 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.874 10.289 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.310 10.231 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.865 12.895 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.501 12.269 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.770 12.331 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.891 10.650 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.487 10.529 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.308 12.260 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.516 11.063 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.859 12.010 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.033 10.333 7.771 1.00 0.00 H new ATOM 1134 N SER A 72 -10.202 10.747 1.254 1.00 0.00 N ATOM 1135 CA SER A 72 -9.269 9.970 0.465 1.00 0.00 C ATOM 1136 C SER A 72 -9.212 8.526 0.975 1.00 0.00 C ATOM 1137 O SER A 72 -8.768 8.295 2.108 1.00 0.00 O ATOM 1138 CB SER A 72 -7.901 10.627 0.551 1.00 0.00 C ATOM 1139 OG SER A 72 -6.978 10.081 -0.378 1.00 0.00 O ATOM 0 H SER A 72 -9.763 11.513 1.765 1.00 0.00 H new ATOM 0 HA SER A 72 -9.595 9.940 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.003 11.697 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.508 10.510 1.561 1.00 0.00 H new ATOM 0 HG SER A 72 -7.360 10.119 -1.280 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.595 7.541 0.148 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.514 6.144 0.515 1.00 0.00 C ATOM 1147 C PRO A 73 -8.051 5.723 0.619 1.00 0.00 C ATOM 1148 O PRO A 73 -7.753 4.931 1.504 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.256 5.386 -0.586 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.006 6.265 -1.810 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.041 7.674 -1.227 1.00 0.00 C ATOM 0 HA PRO A 73 -9.962 5.936 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.863 4.378 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.319 5.287 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.046 6.044 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.772 6.124 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.390 8.346 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.046 8.092 -1.274 1.00 0.00 H new ATOM 1159 N THR A 74 -7.130 6.269 -0.193 1.00 0.00 N ATOM 1160 CA THR A 74 -5.708 6.009 -0.020 1.00 0.00 C ATOM 1161 C THR A 74 -5.283 6.351 1.398 1.00 0.00 C ATOM 1162 O THR A 74 -4.648 5.524 2.044 1.00 0.00 O ATOM 1163 CB THR A 74 -4.874 6.816 -1.022 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.160 6.376 -2.318 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.362 6.688 -0.788 1.00 0.00 C ATOM 0 H THR A 74 -7.353 6.890 -0.971 1.00 0.00 H new ATOM 0 HA THR A 74 -5.534 4.949 -0.203 1.00 0.00 H new ATOM 0 HB THR A 74 -5.142 7.864 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.084 6.610 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.828 7.282 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.117 7.048 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.067 5.643 -0.879 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.587 7.566 1.859 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.095 8.049 3.134 1.00 0.00 C ATOM 1175 C CYS A 75 -5.603 7.161 4.254 1.00 0.00 C ATOM 1176 O CYS A 75 -4.829 6.749 5.111 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.577 9.491 3.337 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.780 10.188 4.808 1.00 0.00 S ATOM 0 H CYS A 75 -6.176 8.231 1.358 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.005 8.025 3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.338 10.093 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.661 9.511 3.452 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.185 11.411 4.982 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.904 6.897 4.259 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.531 6.100 5.290 1.00 0.00 C ATOM 1186 C GLU A 76 -7.007 4.674 5.269 1.00 0.00 C ATOM 1187 O GLU A 76 -6.690 4.136 6.328 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.045 6.118 5.063 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.664 7.457 5.503 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.461 7.794 6.984 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -8.459 8.458 7.359 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -10.375 7.507 7.785 1.00 0.00 O ATOM 0 H GLU A 76 -7.549 7.233 3.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.296 6.520 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.258 5.946 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.507 5.302 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.235 8.257 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.733 7.436 5.291 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.915 4.075 4.081 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.462 2.709 3.921 1.00 0.00 C ATOM 1201 C LEU A 77 -5.039 2.592 4.446 1.00 0.00 C ATOM 1202 O LEU A 77 -4.764 1.759 5.299 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.537 2.293 2.439 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.857 0.958 2.080 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.530 -0.253 2.722 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.874 0.795 0.561 1.00 0.00 C ATOM 0 H LEU A 77 -7.156 4.534 3.203 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.107 2.039 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.587 2.233 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.086 3.082 1.837 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.839 0.996 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.002 -1.161 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.503 -0.152 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.566 -0.312 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.396 -0.146 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.905 0.793 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.334 1.622 0.100 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.136 3.431 3.937 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.728 3.428 4.288 1.00 0.00 C ATOM 1220 C LEU A 78 -2.558 3.646 5.792 1.00 0.00 C ATOM 1221 O LEU A 78 -1.761 2.964 6.435 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.993 4.532 3.503 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.708 4.202 2.025 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.926 5.355 1.391 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.935 2.897 1.799 1.00 0.00 C ATOM 0 H LEU A 78 -4.377 4.147 3.252 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.299 2.461 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.587 5.445 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.047 4.742 4.001 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.683 4.065 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.723 5.125 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.514 6.271 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.016 5.491 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.780 2.746 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.031 2.955 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.505 2.061 2.204 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.296 4.603 6.358 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.243 4.927 7.773 1.00 0.00 C ATOM 1239 C PHE A 79 -3.654 3.727 8.628 1.00 0.00 C ATOM 1240 O PHE A 79 -2.968 3.394 9.600 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.153 6.127 8.071 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.138 6.506 9.534 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.088 7.286 10.054 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.126 5.995 10.396 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.026 7.550 11.433 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -5.052 6.247 11.774 1.00 0.00 C ATOM 1247 CZ PHE A 79 -4.005 7.028 12.295 1.00 0.00 C ATOM 0 H PHE A 79 -3.954 5.179 5.833 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.215 5.186 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.833 6.980 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.173 5.891 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.330 7.681 9.394 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.941 5.409 9.997 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.225 8.155 11.831 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.801 5.840 12.437 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.954 7.226 13.355 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.791 3.107 8.303 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.371 2.041 9.113 1.00 0.00 C ATOM 1259 C ASP A 80 -4.588 0.743 8.925 1.00 0.00 C ATOM 1260 O ASP A 80 -4.364 0.001 9.879 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.858 1.861 8.779 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.594 1.064 9.858 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.407 1.361 11.059 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.440 0.200 9.529 1.00 0.00 O ATOM 0 H ASP A 80 -5.334 3.333 7.469 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.302 2.319 10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.326 2.839 8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.955 1.350 7.821 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.052 0.502 7.728 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.116 -0.584 7.464 1.00 0.00 C ATOM 1271 C TRP A 81 -1.818 -0.405 8.267 1.00 0.00 C ATOM 1272 O TRP A 81 -1.213 -1.372 8.733 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.839 -0.631 5.958 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.044 -1.801 5.502 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.166 -3.068 5.949 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.971 -1.822 4.528 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.183 -3.852 5.385 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.424 -3.136 4.488 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.429 -0.857 3.660 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.661 -3.468 3.668 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.639 -1.193 2.814 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.191 -2.486 2.823 1.00 0.00 C ATOM 0 H TRP A 81 -4.261 1.066 6.904 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.553 -1.531 7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.792 -0.629 5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.314 0.280 5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.918 -3.415 6.642 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -1.037 -4.837 5.604 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.835 0.144 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.081 -4.463 3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.043 -0.447 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.024 -2.722 2.178 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.428 0.843 8.527 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.302 1.206 9.370 1.00 0.00 C ATOM 1295 C GLY A 82 -0.451 0.763 10.823 1.00 0.00 C ATOM 1296 O GLY A 82 0.538 0.771 11.559 1.00 0.00 O ATOM 0 H GLY A 82 -1.909 1.655 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.606 0.766 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.173 2.288 9.341 1.00 0.00 H new ATOM 1300 N THR A 83 -1.650 0.374 11.250 1.00 0.00 N ATOM 1301 CA THR A 83 -1.931 -0.142 12.581 1.00 0.00 C ATOM 1302 C THR A 83 -1.713 -1.669 12.640 1.00 0.00 C ATOM 1303 O THR A 83 -1.726 -2.260 13.725 1.00 0.00 O ATOM 1304 CB THR A 83 -3.364 0.323 12.923 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.391 0.946 14.186 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.426 -0.775 12.847 1.00 0.00 C ATOM 0 H THR A 83 -2.479 0.412 10.656 1.00 0.00 H new ATOM 0 HA THR A 83 -1.247 0.243 13.337 1.00 0.00 H new ATOM 0 HB THR A 83 -3.630 1.039 12.146 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.305 1.237 14.388 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.400 -0.358 13.103 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.459 -1.180 11.836 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.177 -1.571 13.549 1.00 0.00 H new ATOM 1314 N THR A 84 -1.514 -2.329 11.494 1.00 0.00 N ATOM 1315 CA THR A 84 -1.601 -3.779 11.339 1.00 0.00 C ATOM 1316 C THR A 84 -0.224 -4.472 11.396 1.00 0.00 C ATOM 1317 O THR A 84 -0.157 -5.701 11.416 1.00 0.00 O ATOM 1318 CB THR A 84 -2.402 -4.036 10.039 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.579 -4.750 10.338 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.668 -4.759 8.910 1.00 0.00 C ATOM 0 H THR A 84 -1.281 -1.851 10.624 1.00 0.00 H new ATOM 0 HA THR A 84 -2.126 -4.234 12.179 1.00 0.00 H new ATOM 0 HB THR A 84 -2.601 -3.036 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.084 -4.909 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.337 -4.877 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.798 -4.176 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.345 -5.741 9.256 1.00 0.00 H new ATOM 1328 N ASN A 85 0.862 -3.695 11.488 1.00 0.00 N ATOM 1329 CA ASN A 85 2.269 -4.098 11.441 1.00 0.00 C ATOM 1330 C ASN A 85 2.670 -4.370 9.993 1.00 0.00 C ATOM 1331 O ASN A 85 3.042 -5.495 9.650 1.00 0.00 O ATOM 1332 CB ASN A 85 2.635 -5.288 12.356 1.00 0.00 C ATOM 1333 CG ASN A 85 2.260 -5.193 13.826 1.00 0.00 C ATOM 1334 OD1 ASN A 85 2.362 -6.177 14.543 1.00 0.00 O ATOM 1335 ND2 ASN A 85 1.897 -4.037 14.355 1.00 0.00 N ATOM 0 H ASN A 85 0.769 -2.686 11.607 1.00 0.00 H new ATOM 0 HA ASN A 85 2.842 -3.262 11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.164 -6.182 11.947 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.713 -5.439 12.294 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.705 -3.972 15.355 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.809 -3.211 13.764 1.00 0.00 H new ATOM 1342 N CYS A 86 2.604 -3.349 9.138 1.00 0.00 N ATOM 1343 CA CYS A 86 3.168 -3.375 7.793 1.00 0.00 C ATOM 1344 C CYS A 86 3.955 -2.084 7.563 1.00 0.00 C ATOM 1345 O CYS A 86 3.751 -1.083 8.265 1.00 0.00 O ATOM 1346 CB CYS A 86 2.058 -3.552 6.750 1.00 0.00 C ATOM 1347 SG CYS A 86 1.251 -5.164 6.962 1.00 0.00 S ATOM 0 H CYS A 86 2.148 -2.466 9.367 1.00 0.00 H new ATOM 0 HA CYS A 86 3.845 -4.223 7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.323 -2.753 6.851 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.476 -3.476 5.746 1.00 0.00 H new ATOM 0 HG CYS A 86 1.836 -5.819 7.920 1.00 0.00 H new ATOM 1353 N THR A 87 4.851 -2.104 6.579 1.00 0.00 N ATOM 1354 CA THR A 87 5.831 -1.055 6.355 1.00 0.00 C ATOM 1355 C THR A 87 5.835 -0.570 4.908 1.00 0.00 C ATOM 1356 O THR A 87 5.153 -1.113 4.039 1.00 0.00 O ATOM 1357 CB THR A 87 7.221 -1.583 6.754 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.544 -2.706 5.960 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.322 -1.989 8.220 1.00 0.00 C ATOM 0 H THR A 87 4.914 -2.866 5.904 1.00 0.00 H new ATOM 0 HA THR A 87 5.565 -0.195 6.970 1.00 0.00 H new ATOM 0 HB THR A 87 7.918 -0.760 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.369 -2.528 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.329 -2.351 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.108 -1.127 8.852 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.602 -2.780 8.429 1.00 0.00 H new ATOM 1367 N VAL A 88 6.643 0.451 4.643 1.00 0.00 N ATOM 1368 CA VAL A 88 6.871 1.014 3.325 1.00 0.00 C ATOM 1369 C VAL A 88 7.350 -0.085 2.358 1.00 0.00 C ATOM 1370 O VAL A 88 6.987 -0.056 1.186 1.00 0.00 O ATOM 1371 CB VAL A 88 7.934 2.125 3.474 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.533 2.580 2.139 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.331 3.354 4.160 1.00 0.00 C ATOM 0 H VAL A 88 7.176 0.925 5.372 1.00 0.00 H new ATOM 0 HA VAL A 88 5.952 1.431 2.914 1.00 0.00 H new ATOM 0 HB VAL A 88 8.731 1.686 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.272 3.361 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.013 1.733 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.741 2.970 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.093 4.127 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.502 3.734 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.967 3.077 5.149 1.00 0.00 H new ATOM 1383 N GLY A 89 8.176 -1.028 2.826 1.00 0.00 N ATOM 1384 CA GLY A 89 8.716 -2.108 2.011 1.00 0.00 C ATOM 1385 C GLY A 89 7.701 -3.227 1.821 1.00 0.00 C ATOM 1386 O GLY A 89 7.845 -4.005 0.882 1.00 0.00 O ATOM 0 H GLY A 89 8.489 -1.057 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.014 -1.717 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.614 -2.507 2.483 1.00 0.00 H new ATOM 1390 N ASP A 90 6.685 -3.316 2.689 1.00 0.00 N ATOM 1391 CA ASP A 90 5.492 -4.113 2.405 1.00 0.00 C ATOM 1392 C ASP A 90 4.735 -3.424 1.264 1.00 0.00 C ATOM 1393 O ASP A 90 4.456 -4.044 0.244 1.00 0.00 O ATOM 1394 CB ASP A 90 4.618 -4.237 3.667 1.00 0.00 C ATOM 1395 CG ASP A 90 4.106 -5.651 3.910 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.071 -6.059 3.336 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.671 -6.352 4.773 1.00 0.00 O ATOM 0 H ASP A 90 6.669 -2.844 3.593 1.00 0.00 H new ATOM 0 HA ASP A 90 5.764 -5.125 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.195 -3.913 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.768 -3.560 3.579 1.00 0.00 H new ATOM 1402 N LEU A 91 4.463 -2.120 1.416 1.00 0.00 N ATOM 1403 CA LEU A 91 3.683 -1.305 0.492 1.00 0.00 C ATOM 1404 C LEU A 91 4.256 -1.358 -0.917 1.00 0.00 C ATOM 1405 O LEU A 91 3.535 -1.733 -1.830 1.00 0.00 O ATOM 1406 CB LEU A 91 3.594 0.137 1.023 1.00 0.00 C ATOM 1407 CG LEU A 91 2.908 1.130 0.064 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.520 0.734 -0.453 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.760 2.468 0.788 1.00 0.00 C ATOM 0 H LEU A 91 4.797 -1.589 2.220 1.00 0.00 H new ATOM 0 HA LEU A 91 2.673 -1.711 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.051 0.130 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.601 0.495 1.237 1.00 0.00 H new ATOM 0 HG LEU A 91 3.553 1.161 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.144 1.512 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.590 -0.207 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.838 0.615 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.276 3.188 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.153 2.332 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.745 2.840 1.070 1.00 0.00 H new ATOM 1421 N VAL A 92 5.497 -0.914 -1.116 1.00 0.00 N ATOM 1422 CA VAL A 92 6.176 -0.898 -2.408 1.00 0.00 C ATOM 1423 C VAL A 92 6.018 -2.229 -3.132 1.00 0.00 C ATOM 1424 O VAL A 92 5.750 -2.229 -4.327 1.00 0.00 O ATOM 1425 CB VAL A 92 7.653 -0.559 -2.158 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.622 -1.095 -3.214 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.824 0.939 -1.929 1.00 0.00 C ATOM 0 H VAL A 92 6.073 -0.545 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 92 5.730 -0.145 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 92 7.933 -1.091 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.640 -0.806 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.552 -2.182 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.365 -0.679 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.876 1.162 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.479 1.483 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.239 1.244 -1.061 1.00 0.00 H new ATOM 1437 N ASP A 93 6.194 -3.332 -2.412 1.00 0.00 N ATOM 1438 CA ASP A 93 6.113 -4.686 -2.943 1.00 0.00 C ATOM 1439 C ASP A 93 4.803 -4.853 -3.705 1.00 0.00 C ATOM 1440 O ASP A 93 4.765 -5.178 -4.893 1.00 0.00 O ATOM 1441 CB ASP A 93 6.160 -5.667 -1.767 1.00 0.00 C ATOM 1442 CG ASP A 93 6.749 -7.026 -2.118 1.00 0.00 C ATOM 1443 OD1 ASP A 93 6.327 -7.653 -3.120 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.594 -7.494 -1.325 1.00 0.00 O ATOM 0 H ASP A 93 6.403 -3.307 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 93 6.943 -4.879 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.747 -5.225 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.149 -5.808 -1.384 1.00 0.00 H new ATOM 1449 N LEU A 94 3.716 -4.573 -2.989 1.00 0.00 N ATOM 1450 CA LEU A 94 2.351 -4.674 -3.457 1.00 0.00 C ATOM 1451 C LEU A 94 2.112 -3.642 -4.550 1.00 0.00 C ATOM 1452 O LEU A 94 1.441 -3.955 -5.526 1.00 0.00 O ATOM 1453 CB LEU A 94 1.409 -4.439 -2.272 1.00 0.00 C ATOM 1454 CG LEU A 94 1.548 -5.513 -1.172 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.249 -4.862 0.172 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.606 -6.688 -1.414 1.00 0.00 C ATOM 0 H LEU A 94 3.775 -4.255 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 94 2.162 -5.664 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.611 -3.458 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.380 -4.424 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 94 2.563 -5.909 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.342 -5.605 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.956 -4.052 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.235 -4.463 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.731 -7.424 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.425 -6.333 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.837 -7.148 -2.375 1.00 0.00 H new ATOM 1468 N LEU A 95 2.662 -2.430 -4.421 1.00 0.00 N ATOM 1469 CA LEU A 95 2.539 -1.384 -5.426 1.00 0.00 C ATOM 1470 C LEU A 95 3.121 -1.851 -6.758 1.00 0.00 C ATOM 1471 O LEU A 95 2.504 -1.621 -7.794 1.00 0.00 O ATOM 1472 CB LEU A 95 3.165 -0.057 -4.981 1.00 0.00 C ATOM 1473 CG LEU A 95 2.426 0.668 -3.849 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.133 1.998 -3.579 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.948 0.913 -4.169 1.00 0.00 C ATOM 0 H LEU A 95 3.209 -2.151 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 95 1.474 -1.190 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.190 -0.247 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.218 0.608 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 95 2.450 0.030 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.619 2.527 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.166 1.808 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.118 2.608 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.475 1.429 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.867 1.526 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.449 -0.042 -4.335 1.00 0.00 H new ATOM 1487 N VAL A 96 4.276 -2.516 -6.761 1.00 0.00 N ATOM 1488 CA VAL A 96 4.830 -3.092 -7.980 1.00 0.00 C ATOM 1489 C VAL A 96 3.918 -4.227 -8.474 1.00 0.00 C ATOM 1490 O VAL A 96 3.663 -4.296 -9.678 1.00 0.00 O ATOM 1491 CB VAL A 96 6.297 -3.525 -7.764 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.892 -4.130 -9.040 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.198 -2.334 -7.386 1.00 0.00 C ATOM 0 H VAL A 96 4.846 -2.668 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 96 4.858 -2.341 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 96 6.271 -4.257 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.925 -4.425 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.312 -5.005 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.863 -3.391 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.221 -2.683 -7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.175 -1.593 -8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.836 -1.883 -6.462 1.00 0.00 H new ATOM 1503 N GLN A 97 3.360 -5.067 -7.587 1.00 0.00 N ATOM 1504 CA GLN A 97 2.455 -6.148 -7.982 1.00 0.00 C ATOM 1505 C GLN A 97 1.253 -5.584 -8.756 1.00 0.00 C ATOM 1506 O GLN A 97 0.825 -6.168 -9.757 1.00 0.00 O ATOM 1507 CB GLN A 97 2.057 -7.025 -6.762 1.00 0.00 C ATOM 1508 CG GLN A 97 0.563 -7.039 -6.375 1.00 0.00 C ATOM 1509 CD GLN A 97 0.123 -8.189 -5.476 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -1.016 -8.643 -5.599 1.00 0.00 O ATOM 1511 NE2 GLN A 97 0.945 -8.660 -4.551 1.00 0.00 N ATOM 0 H GLN A 97 3.525 -5.013 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 97 2.976 -6.819 -8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.365 -8.051 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.629 -6.686 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.328 -6.100 -5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.030 -7.070 -7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.885 -8.275 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.638 -9.408 -3.929 1.00 0.00 H new ATOM 1520 N ILE A 98 0.692 -4.464 -8.294 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.471 -3.824 -8.904 1.00 0.00 C ATOM 1522 C ILE A 98 -0.088 -2.908 -10.075 1.00 0.00 C ATOM 1523 O ILE A 98 -0.971 -2.258 -10.637 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.346 -3.130 -7.850 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.655 -1.915 -7.231 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.797 -4.138 -6.781 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.576 -1.025 -6.405 1.00 0.00 C ATOM 0 H ILE A 98 1.040 -3.970 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.084 -4.611 -9.344 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.234 -2.749 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.162 -2.260 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.211 -1.319 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.416 -3.631 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.373 -4.934 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.922 -4.564 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.007 -0.187 -6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.380 -0.647 -7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.001 -1.603 -5.584 1.00 0.00 H new ATOM 1539 N GLU A 99 1.200 -2.861 -10.439 1.00 0.00 N ATOM 1540 CA GLU A 99 1.780 -2.133 -11.569 1.00 0.00 C ATOM 1541 C GLU A 99 1.873 -0.618 -11.309 1.00 0.00 C ATOM 1542 O GLU A 99 2.151 0.167 -12.221 1.00 0.00 O ATOM 1543 CB GLU A 99 1.049 -2.523 -12.876 1.00 0.00 C ATOM 1544 CG GLU A 99 2.005 -2.866 -14.032 1.00 0.00 C ATOM 1545 CD GLU A 99 1.472 -3.949 -14.986 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.765 -4.890 -14.544 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.837 -3.943 -16.176 1.00 0.00 O ATOM 0 H GLU A 99 1.912 -3.367 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 99 2.820 -2.435 -11.693 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.404 -3.380 -12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.402 -1.700 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.207 -1.960 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.956 -3.199 -13.616 1.00 0.00 H new ATOM 1554 N LEU A 100 1.689 -0.186 -10.058 1.00 0.00 N ATOM 1555 CA LEU A 100 1.701 1.216 -9.643 1.00 0.00 C ATOM 1556 C LEU A 100 3.136 1.622 -9.317 1.00 0.00 C ATOM 1557 O LEU A 100 3.516 1.875 -8.170 1.00 0.00 O ATOM 1558 CB LEU A 100 0.740 1.477 -8.466 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.678 1.954 -8.837 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.626 3.369 -9.424 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.426 1.025 -9.798 1.00 0.00 C ATOM 0 H LEU A 100 1.522 -0.826 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 100 1.336 1.835 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.651 0.558 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.193 2.224 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.242 1.945 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.634 3.693 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.202 4.053 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.005 3.369 -10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.414 1.436 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.866 0.938 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.531 0.040 -9.344 1.00 0.00 H new ATOM 1573 N PHE A 101 3.952 1.697 -10.360 1.00 0.00 N ATOM 1574 CA PHE A 101 5.369 1.950 -10.205 1.00 0.00 C ATOM 1575 C PHE A 101 5.631 3.361 -9.681 1.00 0.00 C ATOM 1576 O PHE A 101 6.505 3.521 -8.840 1.00 0.00 O ATOM 1577 CB PHE A 101 6.124 1.705 -11.522 1.00 0.00 C ATOM 1578 CG PHE A 101 5.926 0.345 -12.179 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.831 -0.841 -11.418 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.855 0.271 -13.585 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.606 -2.072 -12.062 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.659 -0.964 -14.227 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.530 -2.134 -13.463 1.00 0.00 C ATOM 0 H PHE A 101 3.649 1.585 -11.327 1.00 0.00 H new ATOM 0 HA PHE A 101 5.747 1.246 -9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.825 2.474 -12.234 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.189 1.841 -11.334 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.931 -0.803 -10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.952 1.171 -14.174 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.491 -2.972 -11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.608 -1.012 -15.305 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.372 -3.083 -13.953 1.00 0.00 H new ATOM 1593 N ALA A 102 4.887 4.384 -10.116 1.00 0.00 N ATOM 1594 CA ALA A 102 5.087 5.763 -9.664 1.00 0.00 C ATOM 1595 C ALA A 102 5.132 5.904 -8.126 1.00 0.00 C ATOM 1596 O ALA A 102 6.119 6.431 -7.607 1.00 0.00 O ATOM 1597 CB ALA A 102 4.062 6.697 -10.318 1.00 0.00 C ATOM 0 H ALA A 102 4.130 4.278 -10.791 1.00 0.00 H new ATOM 0 HA ALA A 102 6.078 6.071 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.226 7.717 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.175 6.660 -11.401 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.055 6.379 -10.048 1.00 0.00 H new ATOM 1603 N PRO A 103 4.113 5.483 -7.357 1.00 0.00 N ATOM 1604 CA PRO A 103 4.150 5.578 -5.900 1.00 0.00 C ATOM 1605 C PRO A 103 5.152 4.611 -5.251 1.00 0.00 C ATOM 1606 O PRO A 103 5.730 4.978 -4.229 1.00 0.00 O ATOM 1607 CB PRO A 103 2.717 5.335 -5.425 1.00 0.00 C ATOM 1608 CG PRO A 103 2.068 4.596 -6.588 1.00 0.00 C ATOM 1609 CD PRO A 103 2.800 5.085 -7.819 1.00 0.00 C ATOM 0 HA PRO A 103 4.508 6.562 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.694 4.741 -4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.203 6.272 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.165 3.516 -6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.002 4.815 -6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.870 4.299 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.276 5.922 -8.280 1.00 0.00 H new ATOM 1617 N ALA A 104 5.400 3.429 -5.834 1.00 0.00 N ATOM 1618 CA ALA A 104 6.475 2.522 -5.419 1.00 0.00 C ATOM 1619 C ALA A 104 7.800 3.303 -5.469 1.00 0.00 C ATOM 1620 O ALA A 104 8.513 3.376 -4.473 1.00 0.00 O ATOM 1621 CB ALA A 104 6.493 1.304 -6.358 1.00 0.00 C ATOM 0 H ALA A 104 4.851 3.074 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 104 6.322 2.156 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.290 0.624 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.535 0.788 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.667 1.636 -7.381 1.00 0.00 H new ATOM 1627 N THR A 105 8.084 3.974 -6.589 1.00 0.00 N ATOM 1628 CA THR A 105 9.323 4.686 -6.844 1.00 0.00 C ATOM 1629 C THR A 105 9.465 5.860 -5.871 1.00 0.00 C ATOM 1630 O THR A 105 10.567 6.154 -5.409 1.00 0.00 O ATOM 1631 CB THR A 105 9.301 5.240 -8.284 1.00 0.00 C ATOM 1632 OG1 THR A 105 8.986 4.281 -9.270 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.630 5.860 -8.712 1.00 0.00 C ATOM 0 H THR A 105 7.427 4.034 -7.367 1.00 0.00 H new ATOM 0 HA THR A 105 10.160 4.000 -6.712 1.00 0.00 H new ATOM 0 HB THR A 105 8.515 5.993 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.014 4.159 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.547 6.230 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.877 6.687 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.416 5.106 -8.662 1.00 0.00 H new ATOM 1641 N LEU A 106 8.371 6.571 -5.566 1.00 0.00 N ATOM 1642 CA LEU A 106 8.412 7.730 -4.685 1.00 0.00 C ATOM 1643 C LEU A 106 8.875 7.313 -3.290 1.00 0.00 C ATOM 1644 O LEU A 106 9.576 8.062 -2.608 1.00 0.00 O ATOM 1645 CB LEU A 106 7.018 8.372 -4.651 1.00 0.00 C ATOM 1646 CG LEU A 106 6.910 9.531 -3.639 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.845 10.703 -3.969 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.473 10.047 -3.575 1.00 0.00 C ATOM 0 H LEU A 106 7.441 6.355 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 106 9.126 8.464 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.771 8.742 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.280 7.610 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 106 7.214 9.124 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.723 11.487 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.878 10.356 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.598 11.099 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.412 10.865 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.171 10.405 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.810 9.240 -3.263 1.00 0.00 H new ATOM 1660 N LEU A 107 8.466 6.123 -2.861 1.00 0.00 N ATOM 1661 CA LEU A 107 8.868 5.545 -1.594 1.00 0.00 C ATOM 1662 C LEU A 107 10.279 4.971 -1.692 1.00 0.00 C ATOM 1663 O LEU A 107 11.075 5.217 -0.793 1.00 0.00 O ATOM 1664 CB LEU A 107 7.859 4.462 -1.205 1.00 0.00 C ATOM 1665 CG LEU A 107 6.472 5.031 -0.852 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.429 3.917 -0.918 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.440 5.696 0.532 1.00 0.00 C ATOM 0 H LEU A 107 7.835 5.527 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 107 8.882 6.316 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.757 3.755 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.244 3.904 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 107 6.243 5.806 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.448 4.322 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.404 3.501 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.690 3.132 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.439 6.079 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.704 4.963 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.155 6.519 0.557 1.00 0.00 H new ATOM 1679 N LEU A 108 10.593 4.221 -2.753 1.00 0.00 N ATOM 1680 CA LEU A 108 11.872 3.545 -2.948 1.00 0.00 C ATOM 1681 C LEU A 108 12.157 3.482 -4.452 1.00 0.00 C ATOM 1682 O LEU A 108 11.634 2.596 -5.126 1.00 0.00 O ATOM 1683 CB LEU A 108 11.801 2.132 -2.340 1.00 0.00 C ATOM 1684 CG LEU A 108 12.721 1.926 -1.135 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.281 0.694 -0.333 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.184 1.787 -1.571 1.00 0.00 C ATOM 0 H LEU A 108 9.941 4.065 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 108 12.677 4.087 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.773 1.929 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.058 1.403 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 108 12.644 2.807 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.945 0.560 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.259 0.835 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.326 -0.190 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.813 1.642 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.286 0.929 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.495 2.691 -2.095 1.00 0.00 H new ATOM 1698 N PRO A 109 12.970 4.385 -5.015 1.00 0.00 N ATOM 1699 CA PRO A 109 13.174 4.463 -6.457 1.00 0.00 C ATOM 1700 C PRO A 109 14.037 3.313 -6.984 1.00 0.00 C ATOM 1701 O PRO A 109 14.036 3.038 -8.179 1.00 0.00 O ATOM 1702 CB PRO A 109 13.794 5.840 -6.718 1.00 0.00 C ATOM 1703 CG PRO A 109 14.424 6.238 -5.382 1.00 0.00 C ATOM 1704 CD PRO A 109 13.607 5.485 -4.331 1.00 0.00 C ATOM 0 HA PRO A 109 12.233 4.356 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.541 5.795 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.040 6.562 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.477 5.958 -5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.374 7.316 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.249 5.123 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.865 6.140 -3.875 1.00 0.00 H new ATOM 1712 N ASP A 110 14.752 2.629 -6.089 1.00 0.00 N ATOM 1713 CA ASP A 110 15.644 1.524 -6.422 1.00 0.00 C ATOM 1714 C ASP A 110 14.942 0.169 -6.325 1.00 0.00 C ATOM 1715 O ASP A 110 15.417 -0.807 -6.902 1.00 0.00 O ATOM 1716 CB ASP A 110 16.807 1.544 -5.421 1.00 0.00 C ATOM 1717 CG ASP A 110 18.128 0.998 -5.967 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.232 0.504 -7.105 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.132 1.103 -5.232 1.00 0.00 O ATOM 0 H ASP A 110 14.724 2.835 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 110 15.985 1.650 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.964 2.570 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.524 0.963 -4.544 1.00 0.00 H new ATOM 1724 N ALA A 111 13.867 0.073 -5.526 1.00 0.00 N ATOM 1725 CA ALA A 111 13.236 -1.211 -5.244 1.00 0.00 C ATOM 1726 C ALA A 111 12.464 -1.769 -6.440 1.00 0.00 C ATOM 1727 O ALA A 111 12.550 -2.972 -6.702 1.00 0.00 O ATOM 1728 CB ALA A 111 12.300 -1.050 -4.057 1.00 0.00 C ATOM 0 H ALA A 111 13.424 0.870 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 111 14.028 -1.926 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.823 -2.005 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.869 -0.720 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.537 -0.309 -4.294 1.00 0.00 H new ATOM 1734 N VAL A 112 11.687 -0.921 -7.120 1.00 0.00 N ATOM 1735 CA VAL A 112 11.019 -1.219 -8.382 1.00 0.00 C ATOM 1736 C VAL A 112 12.083 -1.763 -9.354 1.00 0.00 C ATOM 1737 O VAL A 112 13.193 -1.227 -9.388 1.00 0.00 O ATOM 1738 CB VAL A 112 10.282 0.054 -8.872 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.183 1.299 -8.986 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.538 -0.149 -10.198 1.00 0.00 C ATOM 0 H VAL A 112 11.502 0.026 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 112 10.250 -1.986 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 112 9.553 0.238 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.591 2.146 -9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.608 1.531 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.988 1.102 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.044 0.780 -10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.248 -0.436 -10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.792 -0.935 -10.080 1.00 0.00 H new ATOM 1750 N PRO A 113 11.794 -2.812 -10.145 1.00 0.00 N ATOM 1751 CA PRO A 113 12.779 -3.444 -11.016 1.00 0.00 C ATOM 1752 C PRO A 113 13.038 -2.596 -12.275 1.00 0.00 C ATOM 1753 O PRO A 113 12.801 -3.032 -13.405 1.00 0.00 O ATOM 1754 CB PRO A 113 12.194 -4.834 -11.295 1.00 0.00 C ATOM 1755 CG PRO A 113 10.688 -4.593 -11.281 1.00 0.00 C ATOM 1756 CD PRO A 113 10.547 -3.565 -10.159 1.00 0.00 C ATOM 0 HA PRO A 113 13.769 -3.530 -10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.529 -5.226 -12.255 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.493 -5.556 -10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.326 -4.209 -12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.130 -5.506 -11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.696 -2.907 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.376 -4.055 -9.200 1.00 0.00 H new ATOM 1764 N GLN A 114 13.497 -1.358 -12.100 1.00 0.00 N ATOM 1765 CA GLN A 114 13.712 -0.382 -13.153 1.00 0.00 C ATOM 1766 C GLN A 114 14.875 0.536 -12.749 1.00 0.00 C ATOM 1767 O GLN A 114 15.579 0.258 -11.781 1.00 0.00 O ATOM 1768 CB GLN A 114 12.373 0.335 -13.429 1.00 0.00 C ATOM 1769 CG GLN A 114 12.272 0.882 -14.863 1.00 0.00 C ATOM 1770 CD GLN A 114 10.827 1.059 -15.337 1.00 0.00 C ATOM 1771 OE1 GLN A 114 9.884 1.178 -14.559 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.626 1.071 -16.640 1.00 0.00 N ATOM 0 H GLN A 114 13.738 -0.997 -11.177 1.00 0.00 H new ATOM 0 HA GLN A 114 14.013 -0.837 -14.097 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.552 -0.359 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.254 1.157 -12.723 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.786 1.842 -14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.790 0.204 -15.541 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.415 0.972 -17.279 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.681 1.180 -17.009 1.00 0.00 H new ATOM 1781 N THR A 115 15.139 1.592 -13.521 1.00 0.00 N ATOM 1782 CA THR A 115 16.387 2.352 -13.447 1.00 0.00 C ATOM 1783 C THR A 115 16.117 3.855 -13.632 1.00 0.00 C ATOM 1784 O THR A 115 16.888 4.573 -14.274 1.00 0.00 O ATOM 1785 CB THR A 115 17.373 1.704 -14.449 1.00 0.00 C ATOM 1786 OG1 THR A 115 18.688 2.205 -14.311 1.00 0.00 O ATOM 1787 CG2 THR A 115 16.952 1.794 -15.925 1.00 0.00 C ATOM 0 H THR A 115 14.487 1.946 -14.221 1.00 0.00 H new ATOM 0 HA THR A 115 16.857 2.305 -12.465 1.00 0.00 H new ATOM 0 HB THR A 115 17.349 0.649 -14.176 1.00 0.00 H new ATOM 0 HG1 THR A 115 18.662 3.183 -14.258 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.706 1.313 -16.548 1.00 0.00 H new ATOM 0 HG22 THR A 115 15.994 1.292 -16.061 1.00 0.00 H new ATOM 0 HG23 THR A 115 16.858 2.841 -16.213 1.00 0.00 H new ATOM 1795 N VAL A 116 14.974 4.342 -13.141 1.00 0.00 N ATOM 1796 CA VAL A 116 14.390 5.610 -13.566 1.00 0.00 C ATOM 1797 C VAL A 116 14.171 6.518 -12.358 1.00 0.00 C ATOM 1798 O VAL A 116 13.241 6.342 -11.570 1.00 0.00 O ATOM 1799 CB VAL A 116 13.156 5.355 -14.460 1.00 0.00 C ATOM 1800 CG1 VAL A 116 13.603 4.685 -15.771 1.00 0.00 C ATOM 1801 CG2 VAL A 116 12.053 4.491 -13.816 1.00 0.00 C ATOM 0 H VAL A 116 14.425 3.859 -12.430 1.00 0.00 H new ATOM 0 HA VAL A 116 15.076 6.167 -14.204 1.00 0.00 H new ATOM 0 HB VAL A 116 12.714 6.337 -14.630 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.733 4.505 -16.402 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.302 5.338 -16.294 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.091 3.737 -15.547 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.230 4.368 -14.520 1.00 0.00 H new ATOM 0 HG22 VAL A 116 12.460 3.513 -13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 116 11.688 4.980 -12.913 1.00 0.00 H new ATOM 1811 N LYS A 117 15.086 7.470 -12.181 1.00 0.00 N ATOM 1812 CA LYS A 117 15.094 8.422 -11.079 1.00 0.00 C ATOM 1813 C LYS A 117 14.250 9.646 -11.414 1.00 0.00 C ATOM 1814 O LYS A 117 13.985 9.939 -12.586 1.00 0.00 O ATOM 1815 CB LYS A 117 16.541 8.855 -10.826 1.00 0.00 C ATOM 1816 CG LYS A 117 17.403 7.719 -10.250 1.00 0.00 C ATOM 1817 CD LYS A 117 18.862 7.910 -10.655 1.00 0.00 C ATOM 1818 CE LYS A 117 19.468 9.192 -10.060 1.00 0.00 C ATOM 1819 NZ LYS A 117 20.725 9.554 -10.738 1.00 0.00 N ATOM 0 H LYS A 117 15.867 7.601 -12.824 1.00 0.00 H new ATOM 0 HA LYS A 117 14.672 7.949 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 117 16.981 9.203 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.549 9.699 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 117 17.318 7.703 -9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 117 17.040 6.757 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 117 19.444 7.049 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 117 18.933 7.947 -11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 117 18.754 10.011 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.654 9.049 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.110 10.423 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.413 8.782 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 20.541 9.714 -11.749 1.00 0.00 H new ATOM 1833 N SER A 118 13.911 10.393 -10.369 1.00 0.00 N ATOM 1834 CA SER A 118 13.142 11.625 -10.388 1.00 0.00 C ATOM 1835 C SER A 118 13.715 12.619 -9.367 1.00 0.00 C ATOM 1836 O SER A 118 14.722 12.359 -8.699 1.00 0.00 O ATOM 1837 CB SER A 118 11.683 11.285 -10.059 1.00 0.00 C ATOM 1838 OG SER A 118 10.994 10.826 -11.201 1.00 0.00 O ATOM 0 H SER A 118 14.187 10.133 -9.422 1.00 0.00 H new ATOM 0 HA SER A 118 13.196 12.091 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.652 10.522 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.183 12.167 -9.660 1.00 0.00 H new ATOM 0 HG SER A 118 10.067 10.615 -10.961 1.00 0.00 H new ATOM 1844 N LEU A 119 13.055 13.770 -9.240 1.00 0.00 N ATOM 1845 CA LEU A 119 13.146 14.662 -8.090 1.00 0.00 C ATOM 1846 C LEU A 119 11.726 15.017 -7.625 1.00 0.00 C ATOM 1847 O LEU A 119 10.791 14.983 -8.437 1.00 0.00 O ATOM 1848 CB LEU A 119 13.942 15.937 -8.426 1.00 0.00 C ATOM 1849 CG LEU A 119 13.418 16.699 -9.660 1.00 0.00 C ATOM 1850 CD1 LEU A 119 13.235 18.186 -9.361 1.00 0.00 C ATOM 1851 CD2 LEU A 119 14.382 16.500 -10.831 1.00 0.00 C ATOM 0 H LEU A 119 12.422 14.116 -9.961 1.00 0.00 H new ATOM 0 HA LEU A 119 13.681 14.153 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 119 13.920 16.604 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 119 14.985 15.668 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 119 12.440 16.297 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.865 18.693 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 119 12.518 18.308 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 119 14.192 18.619 -9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 119 14.011 17.039 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 119 15.367 16.881 -10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 119 14.456 15.438 -11.065 1.00 0.00 H new ATOM 1863 N PRO A 120 11.543 15.366 -6.343 1.00 0.00 N ATOM 1864 CA PRO A 120 10.287 15.912 -5.844 1.00 0.00 C ATOM 1865 C PRO A 120 10.157 17.399 -6.230 1.00 0.00 C ATOM 1866 O PRO A 120 11.163 18.115 -6.184 1.00 0.00 O ATOM 1867 CB PRO A 120 10.372 15.740 -4.328 1.00 0.00 C ATOM 1868 CG PRO A 120 11.872 15.824 -4.031 1.00 0.00 C ATOM 1869 CD PRO A 120 12.513 15.207 -5.266 1.00 0.00 C ATOM 0 HA PRO A 120 9.414 15.412 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 120 9.817 16.519 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 120 9.955 14.784 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.195 16.855 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 120 12.134 15.275 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 120 13.451 15.705 -5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 120 12.744 14.155 -5.101 1.00 0.00 H new ATOM 1877 N PRO A 121 8.951 17.901 -6.560 1.00 0.00 N ATOM 1878 CA PRO A 121 8.732 19.297 -6.931 1.00 0.00 C ATOM 1879 C PRO A 121 9.008 20.235 -5.748 1.00 0.00 C ATOM 1880 O PRO A 121 9.975 20.999 -5.793 1.00 0.00 O ATOM 1881 CB PRO A 121 7.294 19.379 -7.457 1.00 0.00 C ATOM 1882 CG PRO A 121 6.603 18.162 -6.842 1.00 0.00 C ATOM 1883 CD PRO A 121 7.724 17.136 -6.722 1.00 0.00 C ATOM 0 HA PRO A 121 9.423 19.628 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 121 6.811 20.308 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.265 19.346 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.168 18.396 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.793 17.799 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.560 16.476 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.772 16.505 -7.609 1.00 0.00 H new ATOM 1891 N SER A 122 8.202 20.181 -4.687 1.00 0.00 N ATOM 1892 CA SER A 122 8.479 20.790 -3.391 1.00 0.00 C ATOM 1893 C SER A 122 8.011 19.845 -2.275 1.00 0.00 C ATOM 1894 O SER A 122 7.376 18.810 -2.530 1.00 0.00 O ATOM 1895 CB SER A 122 7.839 22.188 -3.286 1.00 0.00 C ATOM 1896 OG SER A 122 8.706 23.185 -3.818 1.00 0.00 O ATOM 0 H SER A 122 7.306 19.694 -4.710 1.00 0.00 H new ATOM 0 HA SER A 122 9.553 20.939 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.891 22.200 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.616 22.413 -2.243 1.00 0.00 H new ATOM 0 HG SER A 122 9.275 22.788 -4.510 1.00 0.00 H new ATOM 1902 N GLY A 123 8.357 20.196 -1.034 1.00 0.00 N ATOM 1903 CA GLY A 123 7.994 19.465 0.170 1.00 0.00 C ATOM 1904 C GLY A 123 6.620 19.892 0.708 1.00 0.00 C ATOM 1905 O GLY A 123 5.841 20.517 -0.016 1.00 0.00 O ATOM 0 H GLY A 123 8.917 21.026 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.984 18.396 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.751 19.630 0.937 1.00 0.00 H new ATOM 1909 N PRO A 124 6.303 19.545 1.968 1.00 0.00 N ATOM 1910 CA PRO A 124 5.077 19.948 2.647 1.00 0.00 C ATOM 1911 C PRO A 124 5.113 21.454 2.958 1.00 0.00 C ATOM 1912 O PRO A 124 5.703 21.876 3.961 1.00 0.00 O ATOM 1913 CB PRO A 124 5.012 19.069 3.903 1.00 0.00 C ATOM 1914 CG PRO A 124 6.473 18.770 4.224 1.00 0.00 C ATOM 1915 CD PRO A 124 7.129 18.730 2.848 1.00 0.00 C ATOM 0 HA PRO A 124 4.181 19.806 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.521 19.587 4.727 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.449 18.154 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.912 19.541 4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 124 6.584 17.822 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 124 8.147 19.118 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.194 17.706 2.480 1.00 0.00 H new ATOM 1923 N SER A 125 4.505 22.282 2.108 1.00 0.00 N ATOM 1924 CA SER A 125 4.537 23.743 2.191 1.00 0.00 C ATOM 1925 C SER A 125 3.126 24.329 2.371 1.00 0.00 C ATOM 1926 O SER A 125 2.126 23.599 2.381 1.00 0.00 O ATOM 1927 CB SER A 125 5.276 24.289 0.956 1.00 0.00 C ATOM 1928 OG SER A 125 4.768 23.753 -0.253 1.00 0.00 O ATOM 0 H SER A 125 3.958 21.943 1.316 1.00 0.00 H new ATOM 0 HA SER A 125 5.086 24.057 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.190 25.375 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.338 24.055 1.037 1.00 0.00 H new ATOM 0 HG SER A 125 5.264 24.127 -1.011 1.00 0.00 H new ATOM 1934 N SER A 126 3.049 25.651 2.553 1.00 0.00 N ATOM 1935 CA SER A 126 1.805 26.411 2.575 1.00 0.00 C ATOM 1936 C SER A 126 1.301 26.649 1.136 1.00 0.00 C ATOM 1937 O SER A 126 1.376 25.752 0.293 1.00 0.00 O ATOM 1938 CB SER A 126 2.041 27.719 3.341 1.00 0.00 C ATOM 1939 OG SER A 126 2.689 27.508 4.587 1.00 0.00 O ATOM 0 H SER A 126 3.875 26.233 2.692 1.00 0.00 H new ATOM 0 HA SER A 126 1.023 25.853 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 126 2.644 28.391 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.085 28.215 3.511 1.00 0.00 H new ATOM 0 HG SER A 126 2.820 28.368 5.038 1.00 0.00 H new ATOM 1945 N GLY A 127 0.771 27.841 0.845 1.00 0.00 N ATOM 1946 CA GLY A 127 0.233 28.217 -0.446 1.00 0.00 C ATOM 1947 C GLY A 127 -1.267 28.191 -0.334 1.00 0.00 C ATOM 1948 O GLY A 127 -1.876 27.181 -0.736 1.00 0.00 O ATOM 0 H GLY A 127 0.707 28.591 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.579 29.210 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.572 27.527 -1.219 1.00 0.00 H new TER 1952 GLY A 127