USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 846 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 65 THR OG1 : rot -56:sc= 0.108 USER MOD Set 1.2: A 79 CYS SG : rot 93:sc= -0.0688 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.168 K(o=0.52,f=-0.038) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0.353 USER MOD Set 3.1: A 23 CYS SG : rot 171:sc= 0.307 USER MOD Set 3.2: A 26 CYS SG : rot 67:sc= -1.38 USER MOD Set 4.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 22 THR OG1 : rot 160:sc= -0.46 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot -24:sc= 0.0301 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00958 K(o=-0.0096,f=-3.4!) USER MOD Single : A 14 LYS NZ :NH3+ 137:sc= 1.28 (180deg=0.128) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0475 K(o=-0.047,f=-0.65) USER MOD Single : A 34 SER OG : rot 78:sc= 1.3 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 49 THR OG1 : rot -38:sc= 0.013 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.705 K(o=0.71,f=-0.16) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00379 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 58 GLN : amide:sc= 0.283 K(o=0.28,f=-0.77) USER MOD Single : A 62 GLN : amide:sc= -0.168 K(o=-0.17,f=-3.8!) USER MOD Single : A 63 GLN : amide:sc= -0.047 K(o=-0.047,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 164:sc= 0.724 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.26 K(o=0.26,f=-1.8!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -31:sc= 0.025 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -3.951 10.783 -6.953 1.00 0.00 N ATOM 2 CA ALA A 2 -3.428 11.899 -7.726 1.00 0.00 C ATOM 3 C ALA A 2 -2.938 11.362 -9.056 1.00 0.00 C ATOM 4 O ALA A 2 -2.201 10.371 -9.072 1.00 0.00 O ATOM 5 CB ALA A 2 -2.291 12.579 -6.968 1.00 0.00 C ATOM 0 HA ALA A 2 -4.208 12.643 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.908 13.412 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.662 12.950 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.490 11.861 -6.792 1.00 0.00 H new ATOM 13 N GLN A 3 -3.383 12.024 -10.122 1.00 0.00 N ATOM 14 CA GLN A 3 -2.899 12.127 -11.491 1.00 0.00 C ATOM 15 C GLN A 3 -2.330 10.860 -12.137 1.00 0.00 C ATOM 16 O GLN A 3 -2.857 10.398 -13.149 1.00 0.00 O ATOM 17 CB GLN A 3 -1.896 13.286 -11.506 1.00 0.00 C ATOM 18 CG GLN A 3 -1.273 13.619 -12.867 1.00 0.00 C ATOM 19 CD GLN A 3 -0.208 14.695 -12.682 1.00 0.00 C ATOM 20 OE1 GLN A 3 0.982 14.400 -12.649 1.00 0.00 O ATOM 21 NE2 GLN A 3 -0.608 15.941 -12.499 1.00 0.00 N ATOM 0 H GLN A 3 -4.227 12.589 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.766 12.304 -12.127 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.397 14.178 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.092 13.053 -10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.831 12.725 -13.306 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.042 13.966 -13.557 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.602 16.167 -12.530 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.077 16.677 -12.327 1.00 0.00 H new ATOM 30 N GLU A 4 -1.244 10.303 -11.608 1.00 0.00 N ATOM 31 CA GLU A 4 -0.462 9.268 -12.264 1.00 0.00 C ATOM 32 C GLU A 4 0.429 8.587 -11.232 1.00 0.00 C ATOM 33 O GLU A 4 0.385 7.362 -11.116 1.00 0.00 O ATOM 34 CB GLU A 4 0.406 9.908 -13.358 1.00 0.00 C ATOM 35 CG GLU A 4 1.124 8.853 -14.201 1.00 0.00 C ATOM 36 CD GLU A 4 2.069 9.524 -15.186 1.00 0.00 C ATOM 37 OE1 GLU A 4 1.605 10.004 -16.242 1.00 0.00 O ATOM 38 OE2 GLU A 4 3.287 9.585 -14.904 1.00 0.00 O ATOM 0 H GLU A 4 -0.879 10.566 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.125 8.529 -12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.219 10.526 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.141 10.569 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.682 8.177 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.394 8.249 -14.740 1.00 0.00 H new ATOM 45 N PHE A 5 1.182 9.362 -10.445 1.00 0.00 N ATOM 46 CA PHE A 5 2.126 8.810 -9.479 1.00 0.00 C ATOM 47 C PHE A 5 1.416 7.932 -8.440 1.00 0.00 C ATOM 48 O PHE A 5 2.018 7.004 -7.910 1.00 0.00 O ATOM 49 CB PHE A 5 2.924 9.948 -8.837 1.00 0.00 C ATOM 50 CG PHE A 5 4.289 9.534 -8.324 1.00 0.00 C ATOM 51 CD1 PHE A 5 4.436 8.980 -7.039 1.00 0.00 C ATOM 52 CD2 PHE A 5 5.426 9.727 -9.134 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.711 8.614 -6.574 1.00 0.00 C ATOM 54 CE2 PHE A 5 6.700 9.367 -8.665 1.00 0.00 C ATOM 55 CZ PHE A 5 6.842 8.800 -7.387 1.00 0.00 C ATOM 0 H PHE A 5 1.152 10.381 -10.462 1.00 0.00 H new ATOM 0 HA PHE A 5 2.827 8.155 -9.997 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.049 10.747 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.347 10.361 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.570 8.836 -6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.317 10.154 -10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.822 8.188 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.569 9.526 -9.286 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.819 8.508 -7.030 1.00 0.00 H new ATOM 65 N VAL A 6 0.122 8.174 -8.195 1.00 0.00 N ATOM 66 CA VAL A 6 -0.792 7.211 -7.602 1.00 0.00 C ATOM 67 C VAL A 6 -1.636 6.561 -8.702 1.00 0.00 C ATOM 68 O VAL A 6 -1.628 5.339 -8.837 1.00 0.00 O ATOM 69 CB VAL A 6 -1.632 7.915 -6.520 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.775 7.061 -5.959 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.728 8.366 -5.370 1.00 0.00 C ATOM 0 H VAL A 6 -0.321 9.067 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.249 6.404 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.096 8.770 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.317 7.630 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.456 6.789 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.366 6.157 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.329 8.863 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.234 7.498 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.024 9.059 -5.748 1.00 0.00 H new ATOM 81 N ASN A 7 -2.386 7.353 -9.478 1.00 0.00 N ATOM 82 CA ASN A 7 -3.539 6.842 -10.231 1.00 0.00 C ATOM 83 C ASN A 7 -3.167 5.895 -11.377 1.00 0.00 C ATOM 84 O ASN A 7 -4.040 5.177 -11.862 1.00 0.00 O ATOM 85 CB ASN A 7 -4.398 7.993 -10.784 1.00 0.00 C ATOM 86 CG ASN A 7 -5.094 8.835 -9.722 1.00 0.00 C ATOM 87 OD1 ASN A 7 -4.834 8.731 -8.524 1.00 0.00 O ATOM 88 ND2 ASN A 7 -5.944 9.756 -10.127 1.00 0.00 N ATOM 0 H ASN A 7 -2.215 8.351 -9.601 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.110 6.260 -9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.765 8.644 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.153 7.577 -11.451 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.383 10.379 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.163 9.847 -11.119 1.00 0.00 H new ATOM 95 N CYS A 8 -1.915 5.882 -11.836 1.00 0.00 N ATOM 96 CA CYS A 8 -1.396 4.943 -12.830 1.00 0.00 C ATOM 97 C CYS A 8 -0.570 3.844 -12.145 1.00 0.00 C ATOM 98 O CYS A 8 -0.471 2.730 -12.659 1.00 0.00 O ATOM 99 CB CYS A 8 -0.554 5.737 -13.841 1.00 0.00 C ATOM 100 SG CYS A 8 0.099 4.690 -15.164 1.00 0.00 S ATOM 0 H CYS A 8 -1.211 6.547 -11.515 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.214 4.447 -13.353 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.164 6.529 -14.275 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.273 6.220 -13.321 1.00 0.00 H new ATOM 0 HG CYS A 8 0.161 3.459 -14.752 1.00 0.00 H new ATOM 106 N LYS A 9 0.010 4.133 -10.976 1.00 0.00 N ATOM 107 CA LYS A 9 0.826 3.190 -10.221 1.00 0.00 C ATOM 108 C LYS A 9 0.011 1.993 -9.750 1.00 0.00 C ATOM 109 O LYS A 9 0.492 0.874 -9.894 1.00 0.00 O ATOM 110 CB LYS A 9 1.526 3.915 -9.054 1.00 0.00 C ATOM 111 CG LYS A 9 3.058 3.924 -9.172 1.00 0.00 C ATOM 112 CD LYS A 9 3.598 4.604 -10.440 1.00 0.00 C ATOM 113 CE LYS A 9 5.121 4.448 -10.478 1.00 0.00 C ATOM 114 NZ LYS A 9 5.690 4.798 -11.796 1.00 0.00 N ATOM 0 H LYS A 9 -0.078 5.044 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 9 1.597 2.792 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.167 4.943 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.244 3.435 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.473 4.429 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.417 2.895 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.151 4.156 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.327 5.660 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.568 5.082 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.384 3.419 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.723 4.677 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.285 4.176 -12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.463 5.788 -12.020 1.00 0.00 H new ATOM 128 N ILE A 10 -1.190 2.187 -9.193 1.00 0.00 N ATOM 129 CA ILE A 10 -1.970 1.058 -8.694 1.00 0.00 C ATOM 130 C ILE A 10 -2.330 0.163 -9.888 1.00 0.00 C ATOM 131 O ILE A 10 -2.654 0.692 -10.953 1.00 0.00 O ATOM 132 CB ILE A 10 -3.250 1.535 -7.979 1.00 0.00 C ATOM 133 CG1 ILE A 10 -3.158 2.830 -7.141 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.722 0.441 -7.022 1.00 0.00 C ATOM 135 CD1 ILE A 10 -4.393 3.688 -7.391 1.00 0.00 C ATOM 0 H ILE A 10 -1.633 3.099 -9.079 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.380 0.503 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.929 1.754 -8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.081 2.585 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.258 3.384 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.627 0.770 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.933 -0.469 -7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.943 0.240 -6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.327 4.601 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.450 3.944 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.286 3.133 -7.103 1.00 0.00 H new ATOM 147 N GLN A 11 -2.359 -1.162 -9.726 1.00 0.00 N ATOM 148 CA GLN A 11 -2.733 -2.082 -10.799 1.00 0.00 C ATOM 149 C GLN A 11 -3.706 -3.137 -10.260 1.00 0.00 C ATOM 150 O GLN A 11 -3.492 -3.643 -9.151 1.00 0.00 O ATOM 151 CB GLN A 11 -1.482 -2.760 -11.395 1.00 0.00 C ATOM 152 CG GLN A 11 -1.195 -2.439 -12.871 1.00 0.00 C ATOM 153 CD GLN A 11 0.062 -1.597 -13.087 1.00 0.00 C ATOM 154 OE1 GLN A 11 1.141 -1.928 -12.601 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.028 -0.543 -13.874 1.00 0.00 N ATOM 0 H GLN A 11 -2.124 -1.625 -8.848 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.223 -1.517 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.615 -2.468 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.591 -3.840 -11.291 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.094 -3.373 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.051 -1.911 -13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.930 -0.279 -14.271 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.804 0.008 -14.086 1.00 0.00 H new ATOM 164 N PRO A 12 -4.737 -3.520 -11.035 1.00 0.00 N ATOM 165 CA PRO A 12 -5.626 -4.618 -10.693 1.00 0.00 C ATOM 166 C PRO A 12 -4.865 -5.939 -10.864 1.00 0.00 C ATOM 167 O PRO A 12 -4.805 -6.513 -11.956 1.00 0.00 O ATOM 168 CB PRO A 12 -6.825 -4.479 -11.637 1.00 0.00 C ATOM 169 CG PRO A 12 -6.227 -3.834 -12.885 1.00 0.00 C ATOM 170 CD PRO A 12 -5.119 -2.947 -12.321 1.00 0.00 C ATOM 0 HA PRO A 12 -5.975 -4.602 -9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.273 -5.447 -11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.608 -3.859 -11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.834 -4.580 -13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.969 -3.253 -13.433 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.266 -2.915 -12.999 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.468 -1.922 -12.199 1.00 0.00 H new ATOM 178 N GLY A 13 -4.211 -6.382 -9.792 1.00 0.00 N ATOM 179 CA GLY A 13 -3.368 -7.551 -9.739 1.00 0.00 C ATOM 180 C GLY A 13 -1.962 -7.275 -9.218 1.00 0.00 C ATOM 181 O GLY A 13 -1.078 -8.096 -9.440 1.00 0.00 O ATOM 0 H GLY A 13 -4.265 -5.901 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.840 -8.299 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.297 -7.981 -10.738 1.00 0.00 H new ATOM 185 N LYS A 14 -1.733 -6.140 -8.554 1.00 0.00 N ATOM 186 CA LYS A 14 -0.478 -5.730 -7.922 1.00 0.00 C ATOM 187 C LYS A 14 -0.741 -5.319 -6.486 1.00 0.00 C ATOM 188 O LYS A 14 -1.882 -5.002 -6.135 1.00 0.00 O ATOM 189 CB LYS A 14 0.107 -4.559 -8.729 1.00 0.00 C ATOM 190 CG LYS A 14 1.615 -4.621 -8.983 1.00 0.00 C ATOM 191 CD LYS A 14 2.007 -3.575 -10.033 1.00 0.00 C ATOM 192 CE LYS A 14 3.517 -3.425 -10.221 1.00 0.00 C ATOM 193 NZ LYS A 14 4.148 -4.664 -10.723 1.00 0.00 N ATOM 0 H LYS A 14 -2.465 -5.439 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 14 0.235 -6.555 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.404 -4.512 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.117 -3.631 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.157 -4.439 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.895 -5.617 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.557 -3.846 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.589 -2.611 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.714 -2.611 -10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.973 -3.148 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.837 -4.427 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.634 -5.148 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.417 -5.291 -11.117 1.00 0.00 H new ATOM 207 N VAL A 15 0.305 -5.269 -5.671 1.00 0.00 N ATOM 208 CA VAL A 15 0.253 -4.808 -4.301 1.00 0.00 C ATOM 209 C VAL A 15 1.042 -3.501 -4.235 1.00 0.00 C ATOM 210 O VAL A 15 2.220 -3.480 -3.889 1.00 0.00 O ATOM 211 CB VAL A 15 0.804 -5.902 -3.376 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.499 -5.504 -1.934 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.212 -7.292 -3.650 1.00 0.00 C ATOM 0 H VAL A 15 1.239 -5.559 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.765 -4.611 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 15 1.875 -5.979 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.882 -6.268 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.976 -4.550 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.579 -5.410 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.647 -8.015 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.869 -7.261 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.437 -7.588 -4.675 1.00 0.00 H new ATOM 223 N VAL A 16 0.411 -2.402 -4.620 1.00 0.00 N ATOM 224 CA VAL A 16 1.064 -1.104 -4.639 1.00 0.00 C ATOM 225 C VAL A 16 0.776 -0.458 -3.289 1.00 0.00 C ATOM 226 O VAL A 16 -0.344 -0.539 -2.780 1.00 0.00 O ATOM 227 CB VAL A 16 0.568 -0.327 -5.867 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.028 1.134 -5.886 1.00 0.00 C ATOM 229 CG2 VAL A 16 1.097 -1.032 -7.129 1.00 0.00 C ATOM 0 H VAL A 16 -0.562 -2.385 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 16 2.147 -1.145 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.521 -0.315 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.643 1.625 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.652 1.646 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.117 1.172 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.756 -0.496 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.187 -1.044 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.723 -2.055 -7.158 1.00 0.00 H new ATOM 239 N VAL A 17 1.792 0.127 -2.667 1.00 0.00 N ATOM 240 CA VAL A 17 1.712 0.632 -1.312 1.00 0.00 C ATOM 241 C VAL A 17 2.340 2.010 -1.302 1.00 0.00 C ATOM 242 O VAL A 17 3.544 2.141 -1.503 1.00 0.00 O ATOM 243 CB VAL A 17 2.406 -0.328 -0.336 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.149 0.134 1.106 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.945 -1.779 -0.519 1.00 0.00 C ATOM 0 H VAL A 17 2.705 0.263 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 17 0.676 0.704 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 17 3.475 -0.305 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.642 -0.547 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.546 1.140 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.077 0.138 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.465 -2.419 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.870 -1.844 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.172 -2.108 -1.533 1.00 0.00 H new ATOM 255 N PHE A 18 1.536 3.045 -1.095 1.00 0.00 N ATOM 256 CA PHE A 18 2.062 4.398 -1.005 1.00 0.00 C ATOM 257 C PHE A 18 2.655 4.558 0.388 1.00 0.00 C ATOM 258 O PHE A 18 2.000 4.222 1.378 1.00 0.00 O ATOM 259 CB PHE A 18 0.977 5.420 -1.359 1.00 0.00 C ATOM 260 CG PHE A 18 0.479 5.164 -2.760 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.301 5.489 -3.855 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.724 4.467 -2.965 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.920 5.114 -5.152 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.114 4.110 -4.264 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.293 4.437 -5.357 1.00 0.00 C ATOM 0 H PHE A 18 0.524 2.973 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 18 2.855 4.582 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.152 5.350 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.377 6.431 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.224 6.027 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.348 4.206 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.559 5.346 -5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.044 3.585 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.596 4.167 -6.358 1.00 0.00 H new ATOM 275 N ILE A 19 3.900 5.015 0.458 1.00 0.00 N ATOM 276 CA ILE A 19 4.723 5.095 1.657 1.00 0.00 C ATOM 277 C ILE A 19 5.482 6.417 1.658 1.00 0.00 C ATOM 278 O ILE A 19 5.412 7.175 0.699 1.00 0.00 O ATOM 279 CB ILE A 19 5.735 3.926 1.705 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.704 3.911 0.498 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.033 2.575 1.839 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.143 3.604 0.917 1.00 0.00 C ATOM 0 H ILE A 19 4.389 5.359 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 19 4.075 5.032 2.531 1.00 0.00 H new ATOM 0 HB ILE A 19 6.337 4.096 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.371 3.166 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.672 4.878 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.778 1.780 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.447 2.559 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.373 2.422 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.786 3.604 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.488 4.364 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.182 2.625 1.395 1.00 0.00 H new ATOM 294 N LYS A 20 6.280 6.662 2.693 1.00 0.00 N ATOM 295 CA LYS A 20 7.381 7.615 2.671 1.00 0.00 C ATOM 296 C LYS A 20 8.485 7.020 3.546 1.00 0.00 C ATOM 297 O LYS A 20 8.156 6.340 4.522 1.00 0.00 O ATOM 298 CB LYS A 20 6.912 8.998 3.150 1.00 0.00 C ATOM 299 CG LYS A 20 6.255 8.977 4.539 1.00 0.00 C ATOM 300 CD LYS A 20 5.509 10.268 4.872 1.00 0.00 C ATOM 301 CE LYS A 20 6.408 11.509 4.830 1.00 0.00 C ATOM 302 NZ LYS A 20 6.206 12.362 6.014 1.00 0.00 N ATOM 0 H LYS A 20 6.175 6.191 3.592 1.00 0.00 H new ATOM 0 HA LYS A 20 7.762 7.776 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.766 9.675 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.203 9.402 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.560 8.139 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.022 8.803 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.687 10.398 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.067 10.180 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.452 11.201 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.197 12.082 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.829 13.192 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.215 12.675 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.431 11.822 6.874 1.00 0.00 H new ATOM 316 N PRO A 21 9.771 7.256 3.247 1.00 0.00 N ATOM 317 CA PRO A 21 10.870 6.602 3.942 1.00 0.00 C ATOM 318 C PRO A 21 11.022 7.066 5.394 1.00 0.00 C ATOM 319 O PRO A 21 11.737 6.424 6.162 1.00 0.00 O ATOM 320 CB PRO A 21 12.124 6.928 3.121 1.00 0.00 C ATOM 321 CG PRO A 21 11.765 8.218 2.389 1.00 0.00 C ATOM 322 CD PRO A 21 10.277 8.025 2.126 1.00 0.00 C ATOM 0 HA PRO A 21 10.690 5.529 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.996 7.062 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.362 6.126 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.961 9.101 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.331 8.335 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.766 8.985 2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.112 7.499 1.186 1.00 0.00 H new ATOM 330 N THR A 22 10.399 8.175 5.794 1.00 0.00 N ATOM 331 CA THR A 22 10.458 8.669 7.160 1.00 0.00 C ATOM 332 C THR A 22 9.538 7.868 8.093 1.00 0.00 C ATOM 333 O THR A 22 9.804 7.799 9.296 1.00 0.00 O ATOM 334 CB THR A 22 10.072 10.160 7.153 1.00 0.00 C ATOM 335 OG1 THR A 22 8.879 10.365 6.423 1.00 0.00 O ATOM 336 CG2 THR A 22 11.155 11.034 6.519 1.00 0.00 C ATOM 0 H THR A 22 9.837 8.756 5.171 1.00 0.00 H new ATOM 0 HA THR A 22 11.471 8.548 7.543 1.00 0.00 H new ATOM 0 HB THR A 22 9.943 10.444 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.478 11.220 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.838 12.077 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.083 10.927 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.317 10.722 5.487 1.00 0.00 H new ATOM 344 N CYS A 23 8.439 7.302 7.578 1.00 0.00 N ATOM 345 CA CYS A 23 7.349 6.812 8.399 1.00 0.00 C ATOM 346 C CYS A 23 7.744 5.489 9.081 1.00 0.00 C ATOM 347 O CYS A 23 7.997 4.501 8.378 1.00 0.00 O ATOM 348 CB CYS A 23 6.114 6.628 7.515 1.00 0.00 C ATOM 349 SG CYS A 23 4.620 6.174 8.410 1.00 0.00 S ATOM 0 H CYS A 23 8.290 7.175 6.577 1.00 0.00 H new ATOM 0 HA CYS A 23 7.123 7.532 9.186 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.930 7.555 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.325 5.859 6.772 1.00 0.00 H new ATOM 0 HG CYS A 23 3.599 6.231 7.607 1.00 0.00 H new ATOM 354 N PRO A 24 7.722 5.408 10.422 1.00 0.00 N ATOM 355 CA PRO A 24 7.930 4.150 11.122 1.00 0.00 C ATOM 356 C PRO A 24 6.742 3.199 10.949 1.00 0.00 C ATOM 357 O PRO A 24 6.870 2.011 11.256 1.00 0.00 O ATOM 358 CB PRO A 24 8.130 4.545 12.587 1.00 0.00 C ATOM 359 CG PRO A 24 7.267 5.799 12.730 1.00 0.00 C ATOM 360 CD PRO A 24 7.406 6.473 11.366 1.00 0.00 C ATOM 0 HA PRO A 24 8.787 3.604 10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.808 3.755 13.265 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.177 4.749 12.810 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.229 5.551 12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.621 6.442 13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.483 6.981 11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.193 7.227 11.382 1.00 0.00 H new ATOM 368 N TYR A 25 5.575 3.670 10.500 1.00 0.00 N ATOM 369 CA TYR A 25 4.454 2.782 10.222 1.00 0.00 C ATOM 370 C TYR A 25 4.605 2.202 8.821 1.00 0.00 C ATOM 371 O TYR A 25 4.275 1.030 8.626 1.00 0.00 O ATOM 372 CB TYR A 25 3.125 3.512 10.380 1.00 0.00 C ATOM 373 CG TYR A 25 2.843 3.991 11.788 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.150 3.172 12.702 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.247 5.281 12.175 1.00 0.00 C ATOM 376 CE1 TYR A 25 1.815 3.666 13.976 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.907 5.786 13.438 1.00 0.00 C ATOM 378 CZ TYR A 25 2.174 4.982 14.337 1.00 0.00 C ATOM 379 OH TYR A 25 1.813 5.476 15.548 1.00 0.00 O ATOM 0 H TYR A 25 5.387 4.657 10.324 1.00 0.00 H new ATOM 0 HA TYR A 25 4.458 1.965 10.943 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.112 4.370 9.707 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.319 2.848 10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.876 2.165 12.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.824 5.888 11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.284 3.039 14.677 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.204 6.785 13.721 1.00 0.00 H new ATOM 0 HH TYR A 25 2.140 6.395 15.637 1.00 0.00 H new ATOM 389 N CYS A 26 5.167 2.962 7.868 1.00 0.00 N ATOM 390 CA CYS A 26 5.467 2.417 6.548 1.00 0.00 C ATOM 391 C CYS A 26 6.496 1.297 6.747 1.00 0.00 C ATOM 392 O CYS A 26 6.336 0.226 6.176 1.00 0.00 O ATOM 393 CB CYS A 26 6.048 3.484 5.618 1.00 0.00 C ATOM 394 SG CYS A 26 4.720 4.614 5.113 1.00 0.00 S ATOM 0 H CYS A 26 5.418 3.943 7.990 1.00 0.00 H new ATOM 0 HA CYS A 26 4.551 2.048 6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.839 4.036 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.497 3.016 4.742 1.00 0.00 H new ATOM 0 HG CYS A 26 4.311 5.292 6.144 1.00 0.00 H new ATOM 400 N ARG A 27 7.496 1.495 7.618 1.00 0.00 N ATOM 401 CA ARG A 27 8.496 0.467 7.921 1.00 0.00 C ATOM 402 C ARG A 27 7.858 -0.855 8.345 1.00 0.00 C ATOM 403 O ARG A 27 8.304 -1.913 7.893 1.00 0.00 O ATOM 404 CB ARG A 27 9.463 0.952 9.009 1.00 0.00 C ATOM 405 CG ARG A 27 10.841 0.306 8.819 1.00 0.00 C ATOM 406 CD ARG A 27 11.742 0.585 10.024 1.00 0.00 C ATOM 407 NE ARG A 27 13.129 0.838 9.606 1.00 0.00 N ATOM 408 CZ ARG A 27 14.108 -0.059 9.438 1.00 0.00 C ATOM 409 NH1 ARG A 27 13.922 -1.356 9.676 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.293 0.359 9.019 1.00 0.00 N ATOM 0 H ARG A 27 7.632 2.368 8.128 1.00 0.00 H new ATOM 0 HA ARG A 27 9.050 0.287 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.553 2.037 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.069 0.702 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.728 -0.770 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.307 0.693 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.362 1.447 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.715 -0.265 10.706 1.00 0.00 H new ATOM 0 HE ARG A 27 13.374 1.811 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.013 -1.691 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.688 -2.015 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.447 1.350 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.052 -0.310 8.885 1.00 0.00 H new ATOM 424 N ARG A 28 6.820 -0.808 9.191 1.00 0.00 N ATOM 425 CA ARG A 28 6.091 -2.017 9.553 1.00 0.00 C ATOM 426 C ARG A 28 5.452 -2.597 8.323 1.00 0.00 C ATOM 427 O ARG A 28 5.632 -3.775 8.060 1.00 0.00 O ATOM 428 CB ARG A 28 4.989 -1.775 10.586 1.00 0.00 C ATOM 429 CG ARG A 28 4.358 -3.124 11.021 1.00 0.00 C ATOM 430 CD ARG A 28 4.690 -3.473 12.476 1.00 0.00 C ATOM 431 NE ARG A 28 6.142 -3.606 12.701 1.00 0.00 N ATOM 432 CZ ARG A 28 6.786 -3.623 13.875 1.00 0.00 C ATOM 433 NH1 ARG A 28 6.121 -3.579 15.025 1.00 0.00 N ATOM 434 NH2 ARG A 28 8.109 -3.707 13.878 1.00 0.00 N ATOM 0 H ARG A 28 6.474 0.046 9.629 1.00 0.00 H new ATOM 0 HA ARG A 28 6.820 -2.696 9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.401 -1.261 11.454 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.222 -1.125 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.276 -3.074 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.716 -3.919 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.292 -2.700 13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.195 -4.406 12.746 1.00 0.00 H new ATOM 0 HE ARG A 28 6.722 -3.695 11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.102 -3.531 15.023 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.630 -3.593 15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.619 -3.757 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.617 -3.721 14.762 1.00 0.00 H new ATOM 448 N ALA A 29 4.645 -1.809 7.625 1.00 0.00 N ATOM 449 CA ALA A 29 3.938 -2.315 6.463 1.00 0.00 C ATOM 450 C ALA A 29 4.903 -2.952 5.458 1.00 0.00 C ATOM 451 O ALA A 29 4.565 -3.995 4.908 1.00 0.00 O ATOM 452 CB ALA A 29 3.086 -1.217 5.836 1.00 0.00 C ATOM 0 H ALA A 29 4.467 -0.828 7.842 1.00 0.00 H new ATOM 0 HA ALA A 29 3.262 -3.106 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.563 -1.614 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.358 -0.860 6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.727 -0.391 5.528 1.00 0.00 H new ATOM 458 N GLN A 30 6.114 -2.415 5.289 1.00 0.00 N ATOM 459 CA GLN A 30 7.179 -3.047 4.541 1.00 0.00 C ATOM 460 C GLN A 30 7.578 -4.396 5.112 1.00 0.00 C ATOM 461 O GLN A 30 7.727 -5.317 4.319 1.00 0.00 O ATOM 462 CB GLN A 30 8.425 -2.147 4.453 1.00 0.00 C ATOM 463 CG GLN A 30 8.550 -1.447 3.103 1.00 0.00 C ATOM 464 CD GLN A 30 8.392 0.069 3.205 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.306 0.582 3.442 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.465 0.825 3.045 1.00 0.00 N ATOM 0 H GLN A 30 6.377 -1.510 5.680 1.00 0.00 H new ATOM 0 HA GLN A 30 6.777 -3.206 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.384 -1.398 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.316 -2.749 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.522 -1.678 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.795 -1.841 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.368 0.394 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.390 1.840 3.119 1.00 0.00 H new ATOM 475 N GLU A 31 7.803 -4.539 6.418 1.00 0.00 N ATOM 476 CA GLU A 31 8.287 -5.800 6.979 1.00 0.00 C ATOM 477 C GLU A 31 7.185 -6.848 6.894 1.00 0.00 C ATOM 478 O GLU A 31 7.411 -7.948 6.405 1.00 0.00 O ATOM 479 CB GLU A 31 8.857 -5.604 8.412 1.00 0.00 C ATOM 480 CG GLU A 31 7.874 -5.830 9.582 1.00 0.00 C ATOM 481 CD GLU A 31 8.354 -5.312 10.936 1.00 0.00 C ATOM 482 OE1 GLU A 31 8.434 -4.074 11.118 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.471 -6.109 11.891 1.00 0.00 O ATOM 0 H GLU A 31 7.658 -3.800 7.105 1.00 0.00 H new ATOM 0 HA GLU A 31 9.127 -6.167 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.701 -6.282 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.249 -4.590 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.927 -5.347 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.674 -6.898 9.668 1.00 0.00 H new ATOM 490 N ILE A 32 5.975 -6.464 7.294 1.00 0.00 N ATOM 491 CA ILE A 32 4.758 -7.243 7.224 1.00 0.00 C ATOM 492 C ILE A 32 4.611 -7.745 5.793 1.00 0.00 C ATOM 493 O ILE A 32 4.538 -8.957 5.575 1.00 0.00 O ATOM 494 CB ILE A 32 3.592 -6.353 7.726 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.516 -6.415 9.266 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.233 -6.718 7.139 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.403 -5.547 9.874 1.00 0.00 C ATOM 0 H ILE A 32 5.817 -5.542 7.700 1.00 0.00 H new ATOM 0 HA ILE A 32 4.766 -8.126 7.863 1.00 0.00 H new ATOM 0 HB ILE A 32 3.815 -5.342 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.362 -7.450 9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.474 -6.101 9.679 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.472 -6.049 7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.267 -6.620 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.987 -7.747 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.416 -5.646 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.566 -4.504 9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.436 -5.875 9.492 1.00 0.00 H new ATOM 509 N LEU A 33 4.563 -6.827 4.820 1.00 0.00 N ATOM 510 CA LEU A 33 4.216 -7.229 3.472 1.00 0.00 C ATOM 511 C LEU A 33 5.404 -7.923 2.793 1.00 0.00 C ATOM 512 O LEU A 33 5.172 -8.828 1.992 1.00 0.00 O ATOM 513 CB LEU A 33 3.686 -6.066 2.605 1.00 0.00 C ATOM 514 CG LEU A 33 2.186 -5.715 2.767 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.793 -4.588 1.817 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.274 -6.909 2.446 1.00 0.00 C ATOM 0 H LEU A 33 4.755 -5.833 4.944 1.00 0.00 H new ATOM 0 HA LEU A 33 3.393 -7.938 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.272 -5.175 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.869 -6.309 1.558 1.00 0.00 H new ATOM 0 HG LEU A 33 2.056 -5.420 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.736 -4.356 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.389 -3.702 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.973 -4.900 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.232 -6.616 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.438 -7.226 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.504 -7.734 3.120 1.00 0.00 H new ATOM 528 N SER A 34 6.661 -7.543 3.076 1.00 0.00 N ATOM 529 CA SER A 34 7.802 -8.273 2.518 1.00 0.00 C ATOM 530 C SER A 34 7.913 -9.694 3.086 1.00 0.00 C ATOM 531 O SER A 34 8.264 -10.610 2.346 1.00 0.00 O ATOM 532 CB SER A 34 9.110 -7.504 2.722 1.00 0.00 C ATOM 533 OG SER A 34 8.988 -6.202 2.169 1.00 0.00 O ATOM 0 H SER A 34 6.906 -6.753 3.674 1.00 0.00 H new ATOM 0 HA SER A 34 7.623 -8.363 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.343 -7.438 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.934 -8.036 2.247 1.00 0.00 H new ATOM 0 HG SER A 34 8.479 -5.632 2.783 1.00 0.00 H new ATOM 539 N GLN A 35 7.579 -9.931 4.358 1.00 0.00 N ATOM 540 CA GLN A 35 7.687 -11.265 4.945 1.00 0.00 C ATOM 541 C GLN A 35 6.583 -12.204 4.448 1.00 0.00 C ATOM 542 O GLN A 35 6.656 -13.402 4.732 1.00 0.00 O ATOM 543 CB GLN A 35 7.693 -11.195 6.483 1.00 0.00 C ATOM 544 CG GLN A 35 9.038 -10.709 7.058 1.00 0.00 C ATOM 545 CD GLN A 35 9.546 -11.631 8.163 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.455 -11.320 9.347 1.00 0.00 O ATOM 547 NE2 GLN A 35 10.091 -12.783 7.805 1.00 0.00 N ATOM 0 H GLN A 35 7.232 -9.216 4.998 1.00 0.00 H new ATOM 0 HA GLN A 35 8.639 -11.681 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.899 -10.525 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.467 -12.182 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.778 -10.657 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.922 -9.699 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.160 -13.029 6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.441 -13.424 8.517 1.00 0.00 H new ATOM 556 N LEU A 36 5.564 -11.719 3.729 1.00 0.00 N ATOM 557 CA LEU A 36 4.621 -12.594 3.048 1.00 0.00 C ATOM 558 C LEU A 36 5.206 -13.017 1.690 1.00 0.00 C ATOM 559 O LEU A 36 5.723 -12.164 0.963 1.00 0.00 O ATOM 560 CB LEU A 36 3.265 -11.904 2.863 1.00 0.00 C ATOM 561 CG LEU A 36 2.376 -11.869 4.122 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.039 -11.207 3.789 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.072 -13.265 4.682 1.00 0.00 C ATOM 0 H LEU A 36 5.377 -10.724 3.608 1.00 0.00 H new ATOM 0 HA LEU A 36 4.457 -13.481 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.437 -10.881 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.721 -12.412 2.066 1.00 0.00 H new ATOM 0 HG LEU A 36 2.933 -11.309 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.413 -11.184 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.214 -10.189 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.536 -11.776 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.443 -13.173 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.552 -13.855 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.005 -13.761 4.950 1.00 0.00 H new ATOM 575 N PRO A 37 5.118 -14.304 1.312 1.00 0.00 N ATOM 576 CA PRO A 37 5.714 -14.852 0.097 1.00 0.00 C ATOM 577 C PRO A 37 4.821 -14.561 -1.118 1.00 0.00 C ATOM 578 O PRO A 37 4.074 -15.418 -1.592 1.00 0.00 O ATOM 579 CB PRO A 37 5.863 -16.346 0.391 1.00 0.00 C ATOM 580 CG PRO A 37 4.658 -16.643 1.273 1.00 0.00 C ATOM 581 CD PRO A 37 4.526 -15.373 2.101 1.00 0.00 C ATOM 0 HA PRO A 37 6.677 -14.408 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.851 -16.940 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.801 -16.565 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.762 -16.836 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.822 -17.520 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.480 -15.160 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.038 -15.478 3.058 1.00 0.00 H new ATOM 589 N ILE A 38 4.845 -13.319 -1.593 1.00 0.00 N ATOM 590 CA ILE A 38 3.909 -12.803 -2.590 1.00 0.00 C ATOM 591 C ILE A 38 4.671 -12.778 -3.914 1.00 0.00 C ATOM 592 O ILE A 38 5.892 -12.574 -3.907 1.00 0.00 O ATOM 593 CB ILE A 38 3.538 -11.368 -2.129 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.426 -11.455 -1.066 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.076 -10.401 -3.245 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.470 -10.230 -0.146 1.00 0.00 C ATOM 0 H ILE A 38 5.530 -12.627 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 38 3.001 -13.396 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 38 4.464 -10.946 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.453 -11.517 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.547 -12.364 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.843 -9.429 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.872 -10.288 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.187 -10.804 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.678 -10.306 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.437 -10.186 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.326 -9.326 -0.737 1.00 0.00 H new ATOM 608 N LYS A 39 3.964 -12.921 -5.042 1.00 0.00 N ATOM 609 CA LYS A 39 4.543 -12.966 -6.372 1.00 0.00 C ATOM 610 C LYS A 39 5.533 -11.819 -6.563 1.00 0.00 C ATOM 611 O LYS A 39 5.227 -10.668 -6.230 1.00 0.00 O ATOM 612 CB LYS A 39 3.464 -13.026 -7.463 1.00 0.00 C ATOM 613 CG LYS A 39 3.021 -14.464 -7.782 1.00 0.00 C ATOM 614 CD LYS A 39 4.040 -15.336 -8.523 1.00 0.00 C ATOM 615 CE LYS A 39 4.389 -14.813 -9.918 1.00 0.00 C ATOM 616 NZ LYS A 39 5.463 -15.616 -10.535 1.00 0.00 N ATOM 0 H LYS A 39 2.948 -13.010 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 39 5.108 -13.892 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.598 -12.446 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.845 -12.558 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.763 -14.959 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.111 -14.418 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.952 -15.400 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.645 -16.348 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.502 -14.839 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.703 -13.771 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.679 -15.239 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.315 -15.571 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.152 -16.605 -10.620 1.00 0.00 H new ATOM 630 N GLN A 40 6.731 -12.141 -7.050 1.00 0.00 N ATOM 631 CA GLN A 40 7.802 -11.167 -7.178 1.00 0.00 C ATOM 632 C GLN A 40 7.320 -10.039 -8.087 1.00 0.00 C ATOM 633 O GLN A 40 6.627 -10.283 -9.080 1.00 0.00 O ATOM 634 CB GLN A 40 9.066 -11.853 -7.716 1.00 0.00 C ATOM 635 CG GLN A 40 10.298 -10.939 -7.657 1.00 0.00 C ATOM 636 CD GLN A 40 11.574 -11.608 -8.166 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.648 -12.815 -8.380 1.00 0.00 O ATOM 638 NE2 GLN A 40 12.620 -10.822 -8.346 1.00 0.00 N ATOM 0 H GLN A 40 6.980 -13.079 -7.364 1.00 0.00 H new ATOM 0 HA GLN A 40 8.061 -10.740 -6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.259 -12.757 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.897 -12.164 -8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.106 -10.043 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.452 -10.615 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.543 -9.821 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.505 -11.216 -8.667 1.00 0.00 H new ATOM 647 N GLY A 41 7.668 -8.803 -7.744 1.00 0.00 N ATOM 648 CA GLY A 41 7.290 -7.644 -8.526 1.00 0.00 C ATOM 649 C GLY A 41 5.864 -7.166 -8.266 1.00 0.00 C ATOM 650 O GLY A 41 5.515 -6.097 -8.770 1.00 0.00 O ATOM 0 H GLY A 41 8.220 -8.583 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.982 -6.830 -8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.397 -7.881 -9.585 1.00 0.00 H new ATOM 654 N LEU A 42 5.020 -7.883 -7.503 1.00 0.00 N ATOM 655 CA LEU A 42 3.729 -7.334 -7.134 1.00 0.00 C ATOM 656 C LEU A 42 3.876 -6.282 -6.042 1.00 0.00 C ATOM 657 O LEU A 42 3.085 -5.348 -6.040 1.00 0.00 O ATOM 658 CB LEU A 42 2.752 -8.386 -6.619 1.00 0.00 C ATOM 659 CG LEU A 42 2.341 -9.527 -7.555 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.040 -10.116 -7.017 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.115 -9.099 -8.997 1.00 0.00 C ATOM 0 H LEU A 42 5.212 -8.818 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 42 3.332 -6.901 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.187 -8.832 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.844 -7.870 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 42 3.162 -10.244 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.717 -10.934 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.201 -10.492 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.271 -9.344 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.827 -9.965 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.321 -8.353 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.034 -8.672 -9.398 1.00 0.00 H new ATOM 673 N LEU A 43 4.787 -6.461 -5.079 1.00 0.00 N ATOM 674 CA LEU A 43 4.854 -5.581 -3.917 1.00 0.00 C ATOM 675 C LEU A 43 5.678 -4.357 -4.300 1.00 0.00 C ATOM 676 O LEU A 43 6.902 -4.473 -4.400 1.00 0.00 O ATOM 677 CB LEU A 43 5.411 -6.302 -2.668 1.00 0.00 C ATOM 678 CG LEU A 43 4.634 -6.026 -1.359 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.081 -4.604 -1.198 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.507 -7.052 -1.174 1.00 0.00 C ATOM 0 H LEU A 43 5.484 -7.206 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 43 3.849 -5.268 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.410 -7.376 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.450 -6.004 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 43 5.383 -6.127 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.556 -4.523 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.903 -3.889 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.390 -4.388 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.972 -6.842 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.816 -6.989 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.932 -8.055 -1.128 1.00 0.00 H new ATOM 692 N GLU A 44 5.034 -3.222 -4.557 1.00 0.00 N ATOM 693 CA GLU A 44 5.678 -1.994 -5.012 1.00 0.00 C ATOM 694 C GLU A 44 5.422 -0.897 -3.977 1.00 0.00 C ATOM 695 O GLU A 44 4.316 -0.363 -3.887 1.00 0.00 O ATOM 696 CB GLU A 44 5.195 -1.619 -6.425 1.00 0.00 C ATOM 697 CG GLU A 44 6.061 -0.479 -6.987 1.00 0.00 C ATOM 698 CD GLU A 44 5.609 0.094 -8.338 1.00 0.00 C ATOM 699 OE1 GLU A 44 4.853 -0.558 -9.098 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.092 1.199 -8.685 1.00 0.00 O ATOM 0 H GLU A 44 4.024 -3.129 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 44 6.756 -2.133 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.251 -2.488 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.150 -1.312 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.081 0.331 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.084 -0.841 -7.090 1.00 0.00 H new ATOM 707 N PHE A 45 6.432 -0.582 -3.168 1.00 0.00 N ATOM 708 CA PHE A 45 6.383 0.498 -2.195 1.00 0.00 C ATOM 709 C PHE A 45 6.738 1.805 -2.917 1.00 0.00 C ATOM 710 O PHE A 45 7.841 1.922 -3.456 1.00 0.00 O ATOM 711 CB PHE A 45 7.341 0.177 -1.035 1.00 0.00 C ATOM 712 CG PHE A 45 7.022 -1.132 -0.325 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.888 -1.231 0.503 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.828 -2.269 -0.525 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.551 -2.459 1.107 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.509 -3.489 0.095 1.00 0.00 C ATOM 717 CZ PHE A 45 6.370 -3.587 0.910 1.00 0.00 C ATOM 0 H PHE A 45 7.321 -1.081 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 45 5.388 0.610 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.360 0.134 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.307 0.991 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.272 -0.361 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.699 -2.203 -1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.665 -2.535 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.141 -4.352 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.123 -4.525 1.385 1.00 0.00 H new ATOM 727 N VAL A 46 5.817 2.770 -2.970 1.00 0.00 N ATOM 728 CA VAL A 46 5.877 3.997 -3.753 1.00 0.00 C ATOM 729 C VAL A 46 5.967 5.192 -2.795 1.00 0.00 C ATOM 730 O VAL A 46 5.006 5.534 -2.107 1.00 0.00 O ATOM 731 CB VAL A 46 4.655 4.088 -4.692 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.695 5.382 -5.516 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.577 2.900 -5.660 1.00 0.00 C ATOM 0 H VAL A 46 4.954 2.706 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 46 6.764 4.002 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 46 3.775 4.076 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.824 5.424 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.687 6.241 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.603 5.401 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.701 3.009 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.476 2.873 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.499 1.973 -5.092 1.00 0.00 H new ATOM 743 N ASP A 47 7.135 5.824 -2.757 1.00 0.00 N ATOM 744 CA ASP A 47 7.469 7.026 -2.004 1.00 0.00 C ATOM 745 C ASP A 47 6.686 8.274 -2.439 1.00 0.00 C ATOM 746 O ASP A 47 6.987 8.875 -3.469 1.00 0.00 O ATOM 747 CB ASP A 47 8.984 7.243 -2.128 1.00 0.00 C ATOM 748 CG ASP A 47 9.533 8.272 -1.149 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.723 8.973 -0.502 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.780 8.374 -1.070 1.00 0.00 O ATOM 0 H ASP A 47 7.933 5.483 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 47 7.177 6.874 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.493 6.293 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.215 7.561 -3.145 1.00 0.00 H new ATOM 755 N ILE A 48 5.695 8.698 -1.644 1.00 0.00 N ATOM 756 CA ILE A 48 4.925 9.917 -1.896 1.00 0.00 C ATOM 757 C ILE A 48 5.790 11.176 -1.881 1.00 0.00 C ATOM 758 O ILE A 48 5.374 12.178 -2.460 1.00 0.00 O ATOM 759 CB ILE A 48 3.726 10.083 -0.929 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.080 10.267 0.564 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.764 8.893 -1.107 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.885 10.741 1.403 1.00 0.00 C ATOM 0 H ILE A 48 5.405 8.199 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 48 4.527 9.794 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 48 3.257 11.026 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.448 9.323 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.891 10.989 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.918 9.004 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.404 8.867 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.289 7.964 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.192 10.853 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.532 11.700 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.082 10.007 1.339 1.00 0.00 H new ATOM 774 N THR A 49 6.960 11.157 -1.232 1.00 0.00 N ATOM 775 CA THR A 49 7.828 12.321 -1.154 1.00 0.00 C ATOM 776 C THR A 49 8.965 12.235 -2.186 1.00 0.00 C ATOM 777 O THR A 49 9.750 13.181 -2.258 1.00 0.00 O ATOM 778 CB THR A 49 8.209 12.596 0.319 1.00 0.00 C ATOM 779 OG1 THR A 49 8.638 13.928 0.520 1.00 0.00 O ATOM 780 CG2 THR A 49 9.232 11.662 0.958 1.00 0.00 C ATOM 0 H THR A 49 7.324 10.335 -0.751 1.00 0.00 H new ATOM 0 HA THR A 49 7.308 13.229 -1.459 1.00 0.00 H new ATOM 0 HB THR A 49 7.265 12.399 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.167 14.221 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.408 11.966 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.853 10.640 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.167 11.711 0.401 1.00 0.00 H new ATOM 788 N ALA A 50 8.999 11.191 -3.037 1.00 0.00 N ATOM 789 CA ALA A 50 9.986 10.960 -4.095 1.00 0.00 C ATOM 790 C ALA A 50 10.354 12.249 -4.825 1.00 0.00 C ATOM 791 O ALA A 50 11.471 12.750 -4.704 1.00 0.00 O ATOM 792 CB ALA A 50 9.445 9.930 -5.097 1.00 0.00 C ATOM 0 H ALA A 50 8.299 10.450 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 50 10.891 10.578 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.183 9.763 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.244 8.991 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.523 10.304 -5.541 1.00 0.00 H new ATOM 798 N THR A 51 9.382 12.784 -5.559 1.00 0.00 N ATOM 799 CA THR A 51 9.416 14.112 -6.153 1.00 0.00 C ATOM 800 C THR A 51 8.001 14.611 -6.502 1.00 0.00 C ATOM 801 O THR A 51 7.806 15.811 -6.712 1.00 0.00 O ATOM 802 CB THR A 51 10.437 14.176 -7.286 1.00 0.00 C ATOM 803 OG1 THR A 51 10.876 15.504 -7.462 1.00 0.00 O ATOM 804 CG2 THR A 51 9.820 13.658 -8.555 1.00 0.00 C ATOM 0 H THR A 51 8.517 12.283 -5.763 1.00 0.00 H new ATOM 0 HA THR A 51 9.775 14.831 -5.416 1.00 0.00 H new ATOM 0 HB THR A 51 11.296 13.555 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.532 15.538 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.552 13.705 -9.361 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.505 12.624 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.955 14.268 -8.814 1.00 0.00 H new ATOM 812 N ASN A 52 7.002 13.713 -6.536 1.00 0.00 N ATOM 813 CA ASN A 52 5.660 14.010 -7.023 1.00 0.00 C ATOM 814 C ASN A 52 5.073 15.268 -6.394 1.00 0.00 C ATOM 815 O ASN A 52 4.685 16.163 -7.142 1.00 0.00 O ATOM 816 CB ASN A 52 4.698 12.836 -6.778 1.00 0.00 C ATOM 817 CG ASN A 52 3.305 13.217 -7.277 1.00 0.00 C ATOM 818 OD1 ASN A 52 3.017 13.113 -8.462 1.00 0.00 O ATOM 819 ND2 ASN A 52 2.426 13.725 -6.434 1.00 0.00 N ATOM 0 H ASN A 52 7.114 12.750 -6.220 1.00 0.00 H new ATOM 0 HA ASN A 52 5.767 14.178 -8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.052 11.945 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.663 12.594 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.512 14.028 -6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.660 13.814 -5.445 1.00 0.00 H new ATOM 826 N HIS A 53 4.994 15.270 -5.059 1.00 0.00 N ATOM 827 CA HIS A 53 4.168 16.053 -4.144 1.00 0.00 C ATOM 828 C HIS A 53 3.481 15.044 -3.230 1.00 0.00 C ATOM 829 O HIS A 53 2.543 14.359 -3.640 1.00 0.00 O ATOM 830 CB HIS A 53 3.114 16.968 -4.785 1.00 0.00 C ATOM 831 CG HIS A 53 3.433 18.430 -4.683 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.291 19.171 -3.534 1.00 0.00 N ATOM 833 CD2 HIS A 53 3.810 19.277 -5.690 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.540 20.449 -3.838 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.859 20.567 -5.137 1.00 0.00 N ATOM 0 H HIS A 53 5.590 14.635 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 53 4.829 16.750 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.008 16.702 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.150 16.783 -4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.028 19.006 -6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.491 21.270 -3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.093 21.430 -5.629 1.00 0.00 H new ATOM 843 N THR A 54 3.949 14.962 -1.993 1.00 0.00 N ATOM 844 CA THR A 54 3.347 14.165 -0.937 1.00 0.00 C ATOM 845 C THR A 54 1.981 14.740 -0.604 1.00 0.00 C ATOM 846 O THR A 54 0.973 14.050 -0.730 1.00 0.00 O ATOM 847 CB THR A 54 4.273 14.023 0.284 1.00 0.00 C ATOM 848 OG1 THR A 54 3.577 13.974 1.513 1.00 0.00 O ATOM 849 CG2 THR A 54 5.364 15.072 0.378 1.00 0.00 C ATOM 0 H THR A 54 4.783 15.464 -1.689 1.00 0.00 H new ATOM 0 HA THR A 54 3.204 13.143 -1.287 1.00 0.00 H new ATOM 0 HB THR A 54 4.754 13.061 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.218 13.882 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.966 14.892 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.999 15.017 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.912 16.062 0.439 1.00 0.00 H new ATOM 857 N ASN A 55 1.956 15.976 -0.109 1.00 0.00 N ATOM 858 CA ASN A 55 0.738 16.517 0.490 1.00 0.00 C ATOM 859 C ASN A 55 -0.429 16.592 -0.506 1.00 0.00 C ATOM 860 O ASN A 55 -1.577 16.417 -0.111 1.00 0.00 O ATOM 861 CB ASN A 55 0.932 17.856 1.200 1.00 0.00 C ATOM 862 CG ASN A 55 -0.145 18.009 2.277 1.00 0.00 C ATOM 863 OD1 ASN A 55 -0.092 17.334 3.303 1.00 0.00 O ATOM 864 ND2 ASN A 55 -1.130 18.868 2.093 1.00 0.00 N ATOM 0 H ASN A 55 2.752 16.613 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 55 0.477 15.794 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.924 17.904 1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.867 18.675 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.853 18.975 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.168 19.425 1.239 1.00 0.00 H new ATOM 871 N GLU A 56 -0.155 16.777 -1.800 1.00 0.00 N ATOM 872 CA GLU A 56 -1.138 16.700 -2.869 1.00 0.00 C ATOM 873 C GLU A 56 -1.714 15.282 -2.985 1.00 0.00 C ATOM 874 O GLU A 56 -2.930 15.098 -3.016 1.00 0.00 O ATOM 875 CB GLU A 56 -0.373 17.124 -4.124 1.00 0.00 C ATOM 876 CG GLU A 56 -1.114 18.015 -5.089 1.00 0.00 C ATOM 877 CD GLU A 56 -2.154 17.332 -5.974 1.00 0.00 C ATOM 878 OE1 GLU A 56 -1.905 16.216 -6.490 1.00 0.00 O ATOM 879 OE2 GLU A 56 -3.213 17.966 -6.189 1.00 0.00 O ATOM 0 H GLU A 56 0.784 16.990 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.002 17.341 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.536 17.638 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.064 16.225 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.612 18.799 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.384 18.504 -5.734 1.00 0.00 H new ATOM 886 N ILE A 57 -0.848 14.259 -2.971 1.00 0.00 N ATOM 887 CA ILE A 57 -1.260 12.860 -2.909 1.00 0.00 C ATOM 888 C ILE A 57 -2.080 12.633 -1.630 1.00 0.00 C ATOM 889 O ILE A 57 -3.031 11.856 -1.657 1.00 0.00 O ATOM 890 CB ILE A 57 -0.011 11.934 -3.005 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.362 11.734 -4.486 1.00 0.00 C ATOM 892 CG2 ILE A 57 -0.240 10.566 -2.331 1.00 0.00 C ATOM 893 CD1 ILE A 57 1.740 11.086 -4.703 1.00 0.00 C ATOM 0 H ILE A 57 0.164 14.386 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.899 12.609 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 57 0.805 12.421 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.398 11.114 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.344 12.701 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.660 9.959 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.468 10.714 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.074 10.057 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.928 10.980 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.512 11.715 -4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.758 10.103 -4.232 1.00 0.00 H new ATOM 905 N GLN A 58 -1.707 13.255 -0.512 1.00 0.00 N ATOM 906 CA GLN A 58 -2.258 12.967 0.803 1.00 0.00 C ATOM 907 C GLN A 58 -3.701 13.502 0.767 1.00 0.00 C ATOM 908 O GLN A 58 -4.633 12.782 1.116 1.00 0.00 O ATOM 909 CB GLN A 58 -1.435 13.722 1.865 1.00 0.00 C ATOM 910 CG GLN A 58 -0.258 12.961 2.498 1.00 0.00 C ATOM 911 CD GLN A 58 -0.651 11.700 3.246 1.00 0.00 C ATOM 912 OE1 GLN A 58 -0.932 11.736 4.440 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.686 10.567 2.569 1.00 0.00 N ATOM 0 H GLN A 58 -0.998 13.988 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.233 11.905 1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.046 14.632 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.110 14.029 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.451 12.696 1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.262 13.628 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.449 10.558 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.950 9.701 3.038 1.00 0.00 H new ATOM 922 N ASP A 59 -3.895 14.745 0.311 1.00 0.00 N ATOM 923 CA ASP A 59 -5.203 15.370 0.090 1.00 0.00 C ATOM 924 C ASP A 59 -6.104 14.450 -0.711 1.00 0.00 C ATOM 925 O ASP A 59 -7.209 14.086 -0.295 1.00 0.00 O ATOM 926 CB ASP A 59 -5.037 16.655 -0.725 1.00 0.00 C ATOM 927 CG ASP A 59 -6.366 17.399 -0.779 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.602 18.200 0.158 1.00 0.00 O ATOM 929 OD2 ASP A 59 -7.156 17.162 -1.720 1.00 0.00 O ATOM 0 H ASP A 59 -3.119 15.364 0.078 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.639 15.578 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.272 17.288 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.700 16.417 -1.734 1.00 0.00 H new ATOM 934 N TYR A 60 -5.561 14.071 -1.865 1.00 0.00 N ATOM 935 CA TYR A 60 -6.218 13.229 -2.834 1.00 0.00 C ATOM 936 C TYR A 60 -6.630 11.911 -2.191 1.00 0.00 C ATOM 937 O TYR A 60 -7.751 11.483 -2.405 1.00 0.00 O ATOM 938 CB TYR A 60 -5.314 13.026 -4.055 1.00 0.00 C ATOM 939 CG TYR A 60 -6.030 12.403 -5.234 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.289 11.018 -5.267 1.00 0.00 C ATOM 941 CD2 TYR A 60 -6.433 13.210 -6.313 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.945 10.454 -6.374 1.00 0.00 C ATOM 943 CE2 TYR A 60 -7.138 12.655 -7.390 1.00 0.00 C ATOM 944 CZ TYR A 60 -7.413 11.274 -7.416 1.00 0.00 C ATOM 945 OH TYR A 60 -8.104 10.715 -8.439 1.00 0.00 O ATOM 0 H TYR A 60 -4.624 14.355 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.129 13.715 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.902 13.989 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.473 12.393 -3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.984 10.391 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.198 14.264 -6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.091 9.385 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.470 13.287 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.360 11.411 -9.080 1.00 0.00 H new ATOM 955 N LEU A 61 -5.770 11.256 -1.404 1.00 0.00 N ATOM 956 CA LEU A 61 -6.078 9.995 -0.725 1.00 0.00 C ATOM 957 C LEU A 61 -7.247 10.165 0.243 1.00 0.00 C ATOM 958 O LEU A 61 -8.155 9.328 0.249 1.00 0.00 O ATOM 959 CB LEU A 61 -4.852 9.463 0.033 1.00 0.00 C ATOM 960 CG LEU A 61 -3.786 8.808 -0.859 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.442 8.800 -0.120 1.00 0.00 C ATOM 962 CD2 LEU A 61 -4.205 7.385 -1.240 1.00 0.00 C ATOM 0 H LEU A 61 -4.825 11.593 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.358 9.272 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.393 10.287 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.186 8.735 0.773 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.683 9.383 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.683 8.336 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.147 9.824 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.540 8.234 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.438 6.937 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.326 6.787 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.149 7.417 -1.783 1.00 0.00 H new ATOM 974 N GLN A 62 -7.242 11.246 1.034 1.00 0.00 N ATOM 975 CA GLN A 62 -8.317 11.524 1.981 1.00 0.00 C ATOM 976 C GLN A 62 -9.665 11.619 1.268 1.00 0.00 C ATOM 977 O GLN A 62 -10.683 11.237 1.842 1.00 0.00 O ATOM 978 CB GLN A 62 -8.062 12.819 2.776 1.00 0.00 C ATOM 979 CG GLN A 62 -8.584 12.683 4.213 1.00 0.00 C ATOM 980 CD GLN A 62 -8.733 14.041 4.892 1.00 0.00 C ATOM 981 OE1 GLN A 62 -7.739 14.667 5.259 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.953 14.524 5.056 1.00 0.00 N ATOM 0 H GLN A 62 -6.498 11.943 1.032 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.340 10.690 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.995 13.039 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.553 13.658 2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.548 12.174 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.901 12.061 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.761 13.986 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.086 15.435 5.495 1.00 0.00 H new ATOM 991 N GLN A 63 -9.685 12.142 0.044 1.00 0.00 N ATOM 992 CA GLN A 63 -10.866 12.135 -0.797 1.00 0.00 C ATOM 993 C GLN A 63 -11.114 10.751 -1.409 1.00 0.00 C ATOM 994 O GLN A 63 -12.244 10.266 -1.407 1.00 0.00 O ATOM 995 CB GLN A 63 -10.713 13.217 -1.880 1.00 0.00 C ATOM 996 CG GLN A 63 -12.009 14.012 -2.073 1.00 0.00 C ATOM 997 CD GLN A 63 -12.353 14.933 -0.901 1.00 0.00 C ATOM 998 OE1 GLN A 63 -11.689 14.954 0.133 1.00 0.00 O ATOM 999 NE2 GLN A 63 -13.419 15.699 -1.021 1.00 0.00 N ATOM 0 H GLN A 63 -8.874 12.584 -0.389 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.741 12.361 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.907 13.897 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.428 12.750 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.924 14.611 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.832 13.314 -2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.967 15.679 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.695 16.312 -0.254 1.00 0.00 H new ATOM 1008 N LEU A 64 -10.076 10.142 -1.983 1.00 0.00 N ATOM 1009 CA LEU A 64 -10.176 9.074 -2.970 1.00 0.00 C ATOM 1010 C LEU A 64 -10.685 7.819 -2.274 1.00 0.00 C ATOM 1011 O LEU A 64 -11.568 7.154 -2.816 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.807 8.827 -3.641 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.567 7.438 -4.283 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.265 7.377 -5.649 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -7.070 7.144 -4.453 1.00 0.00 C ATOM 0 H LEU A 64 -9.111 10.389 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.875 9.357 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.670 9.583 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.031 8.991 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.982 6.682 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.096 6.399 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.335 7.536 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.860 8.152 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.941 6.161 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.621 7.901 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.583 7.160 -3.478 1.00 0.00 H new ATOM 1027 N THR A 65 -10.104 7.479 -1.118 1.00 0.00 N ATOM 1028 CA THR A 65 -10.487 6.310 -0.336 1.00 0.00 C ATOM 1029 C THR A 65 -11.341 6.790 0.845 1.00 0.00 C ATOM 1030 O THR A 65 -12.404 6.228 1.121 1.00 0.00 O ATOM 1031 CB THR A 65 -9.241 5.470 0.060 1.00 0.00 C ATOM 1032 OG1 THR A 65 -8.513 6.005 1.148 1.00 0.00 O ATOM 1033 CG2 THR A 65 -8.218 5.311 -1.073 1.00 0.00 C ATOM 0 H THR A 65 -9.346 8.018 -0.699 1.00 0.00 H new ATOM 0 HA THR A 65 -11.096 5.621 -0.921 1.00 0.00 H new ATOM 0 HB THR A 65 -9.687 4.511 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.246 6.925 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.377 4.713 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.688 4.813 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.861 6.294 -1.382 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.910 7.863 1.520 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.575 8.431 2.688 1.00 0.00 C ATOM 1043 C GLY A 66 -10.605 8.783 3.815 1.00 0.00 C ATOM 1044 O GLY A 66 -10.974 9.512 4.734 1.00 0.00 O ATOM 0 H GLY A 66 -10.065 8.370 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.118 9.328 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.313 7.721 3.060 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.354 8.321 3.773 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.314 8.704 4.715 1.00 0.00 C ATOM 1050 C ALA A 67 -6.982 8.740 3.988 1.00 0.00 C ATOM 1051 O ALA A 67 -6.826 8.137 2.928 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.255 7.720 5.883 1.00 0.00 C ATOM 0 H ALA A 67 -9.035 7.657 3.067 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.539 9.691 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.471 8.024 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.214 7.712 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.038 6.720 5.506 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.010 9.446 4.567 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.758 9.727 3.876 1.00 0.00 C ATOM 1060 C ARG A 68 -3.541 9.163 4.552 1.00 0.00 C ATOM 1061 O ARG A 68 -2.536 8.997 3.862 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.589 11.228 3.662 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.289 12.086 4.902 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.494 13.559 4.520 1.00 0.00 C ATOM 1065 NE ARG A 68 -3.716 14.518 5.314 1.00 0.00 N ATOM 1066 CZ ARG A 68 -3.983 14.948 6.549 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -4.753 14.271 7.394 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -3.475 16.106 6.938 1.00 0.00 N ATOM 0 H ARG A 68 -6.068 9.831 5.510 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.834 9.218 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.782 11.378 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.501 11.608 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.948 11.810 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.267 11.919 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.236 13.686 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.552 13.801 4.620 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.878 14.898 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.167 13.384 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.930 14.638 8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.894 16.648 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.664 16.456 7.877 1.00 0.00 H new ATOM 1082 N THR A 69 -3.591 8.922 5.860 1.00 0.00 N ATOM 1083 CA THR A 69 -2.355 8.713 6.586 1.00 0.00 C ATOM 1084 C THR A 69 -1.712 7.443 6.040 1.00 0.00 C ATOM 1085 O THR A 69 -2.386 6.428 5.828 1.00 0.00 O ATOM 1086 CB THR A 69 -2.662 8.669 8.090 1.00 0.00 C ATOM 1087 OG1 THR A 69 -3.801 7.864 8.335 1.00 0.00 O ATOM 1088 CG2 THR A 69 -2.998 10.078 8.594 1.00 0.00 C ATOM 0 H THR A 69 -4.444 8.869 6.417 1.00 0.00 H new ATOM 0 HA THR A 69 -1.640 9.525 6.450 1.00 0.00 H new ATOM 0 HB THR A 69 -1.786 8.266 8.598 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.985 7.842 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.215 10.040 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.149 10.739 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.869 10.457 8.060 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.417 7.542 5.768 1.00 0.00 N ATOM 1097 CA VAL A 70 0.377 6.507 5.129 1.00 0.00 C ATOM 1098 C VAL A 70 0.845 5.516 6.207 1.00 0.00 C ATOM 1099 O VAL A 70 0.834 5.881 7.388 1.00 0.00 O ATOM 1100 CB VAL A 70 1.534 7.125 4.300 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.108 7.236 2.831 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.002 8.522 4.753 1.00 0.00 C ATOM 0 H VAL A 70 0.126 8.375 5.995 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.222 5.952 4.407 1.00 0.00 H new ATOM 0 HB VAL A 70 2.374 6.447 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.921 7.670 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.874 6.244 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.227 7.873 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.812 8.861 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.170 9.223 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.355 8.471 5.783 1.00 0.00 H new ATOM 1112 N PRO A 71 1.255 4.283 5.863 1.00 0.00 N ATOM 1113 CA PRO A 71 1.242 3.688 4.525 1.00 0.00 C ATOM 1114 C PRO A 71 -0.192 3.564 4.005 1.00 0.00 C ATOM 1115 O PRO A 71 -1.122 3.576 4.803 1.00 0.00 O ATOM 1116 CB PRO A 71 1.882 2.304 4.696 1.00 0.00 C ATOM 1117 CG PRO A 71 1.587 1.954 6.155 1.00 0.00 C ATOM 1118 CD PRO A 71 1.630 3.301 6.860 1.00 0.00 C ATOM 0 HA PRO A 71 1.782 4.298 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.449 1.574 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.954 2.330 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.614 1.475 6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.328 1.265 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.943 3.321 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.626 3.504 7.253 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.393 3.433 2.692 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.688 3.085 2.106 1.00 0.00 C ATOM 1128 C ARG A 72 -1.457 1.839 1.284 1.00 0.00 C ATOM 1129 O ARG A 72 -0.881 1.941 0.202 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.282 4.195 1.217 1.00 0.00 C ATOM 1131 CG ARG A 72 -2.377 5.591 1.826 1.00 0.00 C ATOM 1132 CD ARG A 72 -3.227 5.682 3.085 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.657 5.456 2.860 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.544 5.269 3.841 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -5.173 5.300 5.125 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -6.805 5.044 3.504 1.00 0.00 N ATOM 0 H ARG A 72 0.345 3.567 2.000 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.413 2.937 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.681 4.261 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.283 3.888 0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.371 5.940 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.786 6.271 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.864 4.952 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.092 6.667 3.531 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.995 5.441 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.197 5.469 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.866 5.155 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.073 5.018 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.508 4.897 4.228 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.823 0.676 1.806 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.735 -0.550 1.035 1.00 0.00 C ATOM 1152 C VAL A 73 -2.943 -0.587 0.099 1.00 0.00 C ATOM 1153 O VAL A 73 -4.082 -0.507 0.562 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.668 -1.760 1.982 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.838 -3.060 1.192 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.349 -1.828 2.762 1.00 0.00 C ATOM 0 H VAL A 73 -2.181 0.559 2.754 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.827 -0.588 0.433 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.480 -1.637 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.789 -3.909 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.804 -3.055 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.042 -3.142 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.357 -2.701 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.484 -1.905 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.235 -0.926 3.364 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.691 -0.766 -1.198 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.677 -1.063 -2.220 1.00 0.00 C ATOM 1168 C PHE A 74 -3.366 -2.471 -2.729 1.00 0.00 C ATOM 1169 O PHE A 74 -2.482 -2.650 -3.574 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.646 -0.035 -3.364 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.238 1.331 -3.067 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.556 2.247 -2.244 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.445 1.720 -3.679 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -4.080 3.536 -2.035 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.959 3.013 -3.482 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.278 3.923 -2.659 1.00 0.00 C ATOM 0 H PHE A 74 -1.746 -0.703 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.684 -1.010 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.609 0.102 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.177 -0.458 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.628 1.960 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.979 1.020 -4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.559 4.231 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.879 3.307 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.673 4.916 -2.506 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.072 -3.482 -2.224 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.034 -4.816 -2.808 1.00 0.00 C ATOM 1188 C ILE A 75 -5.057 -4.751 -3.950 1.00 0.00 C ATOM 1189 O ILE A 75 -6.211 -4.414 -3.710 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.336 -5.905 -1.742 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.076 -6.603 -1.183 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.190 -7.044 -2.321 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.318 -5.838 -0.118 1.00 0.00 C ATOM 0 H ILE A 75 -4.679 -3.399 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.053 -5.100 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.847 -5.352 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.371 -7.568 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.397 -6.805 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.380 -7.786 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.138 -6.642 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.658 -7.513 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.454 -6.420 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.983 -4.884 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.971 -5.659 0.736 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.638 -5.048 -5.184 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.497 -5.120 -6.365 1.00 0.00 C ATOM 1207 C GLY A 76 -6.514 -3.984 -6.440 1.00 0.00 C ATOM 1208 O GLY A 76 -7.714 -4.219 -6.321 1.00 0.00 O ATOM 0 H GLY A 76 -3.660 -5.251 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.875 -5.102 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.026 -6.073 -6.364 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.024 -2.764 -6.668 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.713 -1.477 -6.620 1.00 0.00 C ATOM 1214 C LYS A 77 -7.625 -1.177 -5.428 1.00 0.00 C ATOM 1215 O LYS A 77 -8.077 -0.033 -5.321 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.445 -1.260 -7.956 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.997 0.072 -8.555 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.908 0.514 -9.698 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.376 1.849 -10.217 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.129 2.325 -11.388 1.00 0.00 N ATOM 0 H LYS A 77 -5.042 -2.643 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.915 -0.753 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.224 -2.076 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.524 -1.259 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.991 0.837 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.974 -0.019 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.915 -0.231 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.936 0.619 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.431 2.594 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.324 1.742 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.736 3.233 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.056 1.626 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.128 2.452 -11.130 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.817 -2.094 -4.491 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.592 -1.871 -3.280 1.00 0.00 C ATOM 1236 C ASP A 78 -7.636 -1.410 -2.193 1.00 0.00 C ATOM 1237 O ASP A 78 -6.732 -2.141 -1.782 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.359 -3.140 -2.858 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.846 -3.144 -3.234 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.401 -2.132 -3.731 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.501 -4.190 -3.018 1.00 0.00 O ATOM 0 H ASP A 78 -7.429 -3.035 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.347 -1.106 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.880 -4.006 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.271 -3.259 -1.778 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.820 -0.175 -1.727 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.152 0.314 -0.536 1.00 0.00 C ATOM 1248 C CYS A 79 -7.640 -0.523 0.641 1.00 0.00 C ATOM 1249 O CYS A 79 -8.824 -0.449 0.984 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.476 1.804 -0.340 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.363 2.553 0.891 1.00 0.00 S ATOM 0 H CYS A 79 -8.436 0.508 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.069 0.223 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.380 2.329 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.511 1.916 -0.017 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.332 3.067 0.288 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.754 -1.264 1.304 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.114 -2.001 2.504 1.00 0.00 C ATOM 1259 C ILE A 80 -7.041 -1.047 3.700 1.00 0.00 C ATOM 1260 O ILE A 80 -7.655 -1.292 4.733 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.248 -3.269 2.623 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.824 -3.003 3.125 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.173 -4.028 1.285 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.705 -3.110 4.644 1.00 0.00 C ATOM 0 H ILE A 80 -5.778 -1.367 1.025 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.140 -2.368 2.465 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.751 -3.880 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.141 -3.714 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.512 -2.007 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.554 -4.917 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.176 -4.323 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.736 -3.382 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.676 -2.912 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.366 -2.381 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.989 -4.113 4.961 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.366 0.090 3.528 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.276 1.151 4.498 1.00 0.00 C ATOM 1278 C GLY A 81 -4.819 1.346 4.843 1.00 0.00 C ATOM 1279 O GLY A 81 -3.943 1.222 3.976 1.00 0.00 O ATOM 0 H GLY A 81 -5.851 0.293 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.699 2.072 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.849 0.901 5.391 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.586 1.715 6.095 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.275 2.069 6.584 1.00 0.00 C ATOM 1285 C GLY A 82 -2.705 0.998 7.489 1.00 0.00 C ATOM 1286 O GLY A 82 -2.990 -0.191 7.350 1.00 0.00 O ATOM 0 H GLY A 82 -5.317 1.775 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.603 2.228 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.332 3.012 7.128 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.826 1.422 8.389 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.014 0.548 9.198 1.00 0.00 C ATOM 1292 C CYS A 83 -1.881 -0.260 10.151 1.00 0.00 C ATOM 1293 O CYS A 83 -1.578 -1.435 10.358 1.00 0.00 O ATOM 1294 CB CYS A 83 0.032 1.385 9.943 1.00 0.00 C ATOM 1295 SG CYS A 83 -0.711 2.871 10.686 1.00 0.00 S ATOM 0 H CYS A 83 -1.661 2.411 8.574 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.494 -0.168 8.562 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.496 0.780 10.722 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.824 1.678 9.253 1.00 0.00 H new ATOM 0 HG CYS A 83 0.104 3.369 11.567 1.00 0.00 H new ATOM 1301 N SER A 84 -2.930 0.345 10.716 1.00 0.00 N ATOM 1302 CA SER A 84 -3.763 -0.337 11.686 1.00 0.00 C ATOM 1303 C SER A 84 -4.701 -1.341 11.016 1.00 0.00 C ATOM 1304 O SER A 84 -4.992 -2.391 11.589 1.00 0.00 O ATOM 1305 CB SER A 84 -4.503 0.652 12.604 1.00 0.00 C ATOM 1306 OG SER A 84 -4.964 1.803 11.907 1.00 0.00 O ATOM 0 H SER A 84 -3.214 1.303 10.513 1.00 0.00 H new ATOM 0 HA SER A 84 -3.104 -0.916 12.334 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.351 0.148 13.067 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.838 0.962 13.410 1.00 0.00 H new ATOM 0 HG SER A 84 -5.428 2.399 12.531 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.125 -1.052 9.784 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.922 -1.972 8.979 1.00 0.00 C ATOM 1314 C ASP A 85 -5.043 -3.163 8.638 1.00 0.00 C ATOM 1315 O ASP A 85 -5.386 -4.310 8.919 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.404 -1.308 7.685 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.350 -0.152 7.955 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.527 -0.394 8.310 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -6.888 1.014 7.904 1.00 0.00 O ATOM 0 H ASP A 85 -4.923 -0.168 9.317 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.804 -2.277 9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.544 -0.948 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.906 -2.049 7.063 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.860 -2.881 8.085 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.897 -3.893 7.699 1.00 0.00 C ATOM 1326 C LEU A 86 -2.516 -4.778 8.883 1.00 0.00 C ATOM 1327 O LEU A 86 -2.289 -5.966 8.680 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.654 -3.215 7.111 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.707 -4.212 6.424 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.317 -4.794 5.143 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.602 -3.484 6.120 1.00 0.00 C ATOM 0 H LEU A 86 -3.549 -1.929 7.894 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.351 -4.536 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.964 -2.458 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.117 -2.697 7.906 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.529 -5.057 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.614 -5.493 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.243 -5.316 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.528 -3.987 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.294 -4.169 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.403 -2.638 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.043 -3.125 7.050 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.456 -4.235 10.103 1.00 0.00 N ATOM 1344 CA VAL A 87 -2.226 -5.011 11.297 1.00 0.00 C ATOM 1345 C VAL A 87 -3.343 -6.036 11.468 1.00 0.00 C ATOM 1346 O VAL A 87 -2.974 -7.188 11.669 1.00 0.00 O ATOM 1347 CB VAL A 87 -2.039 -4.057 12.493 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -2.421 -4.663 13.839 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.576 -3.604 12.563 1.00 0.00 C ATOM 0 H VAL A 87 -2.568 -3.236 10.277 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.306 -5.591 11.225 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.715 -3.220 12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.260 -3.928 14.628 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.471 -4.954 13.822 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.805 -5.541 14.031 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.444 -2.929 13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.069 -4.474 12.689 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.311 -3.086 11.641 1.00 0.00 H new ATOM 1359 N SER A 88 -4.636 -5.687 11.365 1.00 0.00 N ATOM 1360 CA SER A 88 -5.745 -6.629 11.578 1.00 0.00 C ATOM 1361 C SER A 88 -5.597 -7.740 10.550 1.00 0.00 C ATOM 1362 O SER A 88 -5.544 -8.925 10.891 1.00 0.00 O ATOM 1363 CB SER A 88 -7.111 -5.992 11.277 1.00 0.00 C ATOM 1364 OG SER A 88 -7.899 -5.854 12.440 1.00 0.00 O ATOM 0 H SER A 88 -4.941 -4.742 11.131 1.00 0.00 H new ATOM 0 HA SER A 88 -5.707 -6.960 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.962 -5.013 10.822 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.644 -6.604 10.549 1.00 0.00 H new ATOM 0 HG SER A 88 -8.758 -5.444 12.206 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.534 -7.330 9.276 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.481 -8.247 8.167 1.00 0.00 C ATOM 1372 C LEU A 89 -4.253 -9.144 8.331 1.00 0.00 C ATOM 1373 O LEU A 89 -4.340 -10.322 8.010 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.506 -7.491 6.823 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.898 -7.006 6.359 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.291 -5.637 6.911 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.935 -6.936 4.827 1.00 0.00 C ATOM 0 H LEU A 89 -5.519 -6.348 9.002 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.365 -8.884 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.846 -6.627 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.091 -8.141 6.052 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.613 -7.731 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.280 -5.366 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.309 -5.675 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.565 -4.892 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.918 -6.594 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.174 -6.239 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.740 -7.925 4.413 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.125 -8.654 8.847 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.985 -9.504 9.145 1.00 0.00 C ATOM 1391 C GLN A 90 -2.308 -10.449 10.322 1.00 0.00 C ATOM 1392 O GLN A 90 -2.024 -11.640 10.220 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.740 -8.676 9.356 1.00 0.00 C ATOM 1394 CG GLN A 90 0.478 -9.590 9.503 1.00 0.00 C ATOM 1395 CD GLN A 90 0.785 -10.585 8.371 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.645 -10.340 7.531 1.00 0.00 O ATOM 1397 NE2 GLN A 90 0.136 -11.736 8.330 1.00 0.00 N ATOM 0 H GLN A 90 -2.982 -7.668 9.066 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.777 -10.145 8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.597 -7.999 8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.851 -8.058 10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.355 -8.956 9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.356 -10.161 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.580 -11.943 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.351 -12.417 7.602 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.869 -9.943 11.430 1.00 0.00 N ATOM 1407 CA GLN A 91 -3.044 -10.586 12.711 1.00 0.00 C ATOM 1408 C GLN A 91 -3.936 -11.813 12.556 1.00 0.00 C ATOM 1409 O GLN A 91 -3.479 -12.928 12.796 1.00 0.00 O ATOM 1410 CB GLN A 91 -3.688 -9.571 13.688 1.00 0.00 C ATOM 1411 CG GLN A 91 -2.854 -9.351 14.942 1.00 0.00 C ATOM 1412 CD GLN A 91 -3.732 -9.065 16.157 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -4.156 -7.936 16.382 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -4.072 -10.072 16.943 1.00 0.00 N ATOM 0 H GLN A 91 -3.238 -8.992 11.438 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.080 -10.910 13.103 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.826 -8.618 13.177 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.678 -9.926 13.973 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.243 -10.233 15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.169 -8.518 14.783 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.718 -11.009 16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.689 -9.912 17.739 1.00 0.00 H new ATOM 1423 N SER A 92 -5.199 -11.617 12.165 1.00 0.00 N ATOM 1424 CA SER A 92 -6.118 -12.724 11.940 1.00 0.00 C ATOM 1425 C SER A 92 -5.857 -13.369 10.579 1.00 0.00 C ATOM 1426 O SER A 92 -6.355 -14.466 10.328 1.00 0.00 O ATOM 1427 CB SER A 92 -7.562 -12.236 12.044 1.00 0.00 C ATOM 1428 OG SER A 92 -8.438 -13.322 12.266 1.00 0.00 O ATOM 0 H SER A 92 -5.604 -10.696 11.999 1.00 0.00 H new ATOM 0 HA SER A 92 -5.953 -13.480 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.651 -11.517 12.859 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.843 -11.716 11.128 1.00 0.00 H new ATOM 0 HG SER A 92 -8.075 -14.127 11.842 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.070 -12.725 9.717 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.630 -13.292 8.463 1.00 0.00 C ATOM 1436 C GLY A 93 -5.591 -13.026 7.312 1.00 0.00 C ATOM 1437 O GLY A 93 -5.482 -13.737 6.310 1.00 0.00 O ATOM 0 H GLY A 93 -4.721 -11.781 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.651 -12.884 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.506 -14.368 8.582 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.508 -12.040 7.384 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.318 -11.748 6.206 1.00 0.00 C ATOM 1443 C GLU A 94 -6.443 -11.228 5.047 1.00 0.00 C ATOM 1444 O GLU A 94 -6.789 -11.400 3.880 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.477 -10.808 6.565 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.307 -10.476 5.315 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.696 -9.928 5.627 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.847 -9.090 6.545 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.660 -10.306 4.918 1.00 0.00 O ATOM 0 H GLU A 94 -6.694 -11.464 8.205 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.771 -12.673 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.112 -11.275 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.086 -9.890 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.765 -9.746 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.409 -11.376 4.708 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.261 -10.674 5.348 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.289 -10.178 4.376 1.00 0.00 C ATOM 1458 C LEU A 95 -3.950 -11.246 3.347 1.00 0.00 C ATOM 1459 O LEU A 95 -3.804 -10.939 2.169 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.011 -9.729 5.113 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.991 -8.927 4.289 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.642 -7.772 3.513 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.947 -8.373 5.272 1.00 0.00 C ATOM 0 H LEU A 95 -4.948 -10.557 6.312 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.726 -9.330 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.306 -9.126 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.512 -10.616 5.503 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.538 -9.582 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.879 -7.238 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.389 -8.170 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.121 -7.087 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.202 -7.795 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.440 -7.731 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.458 -9.200 5.787 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.839 -12.498 3.791 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.467 -13.628 2.959 1.00 0.00 C ATOM 1477 C LEU A 96 -4.533 -13.836 1.892 1.00 0.00 C ATOM 1478 O LEU A 96 -4.205 -13.956 0.716 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.327 -14.902 3.820 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.120 -15.015 4.776 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.838 -15.258 3.989 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.905 -13.819 5.712 1.00 0.00 C ATOM 0 H LEU A 96 -4.011 -12.754 4.763 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.508 -13.425 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.233 -15.000 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.296 -15.757 3.145 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.364 -15.862 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.003 -15.335 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.929 -16.185 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.670 -14.428 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.033 -14.001 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.745 -12.918 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.785 -13.687 6.342 1.00 0.00 H new ATOM 1494 N THR A 97 -5.802 -13.854 2.286 1.00 0.00 N ATOM 1495 CA THR A 97 -6.947 -14.011 1.403 1.00 0.00 C ATOM 1496 C THR A 97 -7.088 -12.800 0.483 1.00 0.00 C ATOM 1497 O THR A 97 -7.254 -12.980 -0.727 1.00 0.00 O ATOM 1498 CB THR A 97 -8.175 -14.235 2.300 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.891 -15.391 3.066 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.475 -14.470 1.537 1.00 0.00 C ATOM 0 H THR A 97 -6.069 -13.756 3.266 1.00 0.00 H new ATOM 0 HA THR A 97 -6.829 -14.866 0.737 1.00 0.00 H new ATOM 0 HB THR A 97 -8.336 -13.334 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.645 -15.582 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.290 -14.619 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.691 -13.604 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.373 -15.355 0.909 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.952 -11.585 1.028 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.936 -10.352 0.254 1.00 0.00 C ATOM 1510 C ARG A 98 -5.907 -10.471 -0.868 1.00 0.00 C ATOM 1511 O ARG A 98 -6.204 -10.163 -2.016 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.652 -9.160 1.184 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.934 -7.816 0.488 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.060 -7.016 1.135 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.317 -7.782 1.107 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.193 -7.978 2.096 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -10.253 -7.167 3.143 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.016 -9.013 2.031 1.00 0.00 N ATOM 0 H ARG A 98 -6.849 -11.436 2.032 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.909 -10.180 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.268 -9.242 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.612 -9.191 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.024 -7.216 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.186 -8.003 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.797 -6.774 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.191 -6.070 0.609 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.549 -8.220 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.620 -6.370 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.932 -7.340 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.975 -9.647 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.691 -9.176 2.779 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.696 -10.929 -0.551 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.621 -11.070 -1.520 1.00 0.00 C ATOM 1534 C LEU A 99 -3.903 -12.190 -2.501 1.00 0.00 C ATOM 1535 O LEU A 99 -3.768 -11.992 -3.702 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.316 -11.348 -0.766 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.719 -10.092 -0.125 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.769 -10.513 0.988 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.954 -9.287 -1.174 1.00 0.00 C ATOM 0 H LEU A 99 -4.436 -11.213 0.394 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.538 -10.146 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.501 -12.092 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.589 -11.779 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.518 -9.472 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.337 -9.627 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.317 -11.085 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.028 -11.130 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.532 -8.395 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.150 -9.897 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.633 -8.994 -1.974 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.246 -13.383 -2.032 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.469 -14.534 -2.900 1.00 0.00 C ATOM 1553 C LYS A 100 -5.552 -14.283 -3.938 1.00 0.00 C ATOM 1554 O LYS A 100 -5.425 -14.786 -5.055 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.778 -15.745 -2.026 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.436 -16.318 -1.560 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.607 -17.576 -0.694 1.00 0.00 C ATOM 1558 CE LYS A 100 -3.276 -18.865 -1.457 1.00 0.00 C ATOM 1559 NZ LYS A 100 -4.261 -19.260 -2.487 1.00 0.00 N ATOM 0 H LYS A 100 -4.378 -13.581 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.564 -14.724 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.391 -15.457 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.342 -16.491 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.825 -16.559 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.897 -15.559 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.962 -17.500 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.633 -17.626 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.304 -18.745 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.180 -19.679 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.950 -20.140 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.188 -19.411 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.339 -18.507 -3.200 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.531 -13.442 -3.618 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.508 -12.922 -4.562 1.00 0.00 C ATOM 1575 C GLN A 101 -6.837 -12.398 -5.838 1.00 0.00 C ATOM 1576 O GLN A 101 -7.347 -12.634 -6.931 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.292 -11.800 -3.873 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.621 -11.468 -4.546 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.122 -10.141 -3.996 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.707 -10.076 -2.917 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -9.839 -9.054 -4.693 1.00 0.00 N ATOM 0 H GLN A 101 -6.668 -13.096 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.179 -13.727 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.482 -12.086 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.675 -10.902 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.493 -11.406 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.349 -12.256 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.353 -9.133 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.107 -8.136 -4.338 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.695 -11.710 -5.726 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.100 -10.956 -6.830 1.00 0.00 C ATOM 1592 C ILE A 102 -3.959 -11.722 -7.529 1.00 0.00 C ATOM 1593 O ILE A 102 -3.270 -11.150 -8.377 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.715 -9.536 -6.347 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.436 -9.473 -5.494 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.831 -8.912 -5.507 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.373 -8.565 -6.098 1.00 0.00 C ATOM 0 H ILE A 102 -5.156 -11.662 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.846 -10.834 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.543 -8.988 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.687 -9.117 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.029 -10.478 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.529 -7.916 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.739 -8.840 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.020 -9.535 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.493 -8.558 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.098 -8.934 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.767 -7.552 -6.186 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.745 -13.001 -7.196 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.724 -13.841 -7.822 1.00 0.00 C ATOM 1611 C GLY A 103 -1.332 -13.559 -7.251 1.00 0.00 C ATOM 1612 O GLY A 103 -0.392 -13.288 -8.003 1.00 0.00 O ATOM 0 H GLY A 103 -4.283 -13.484 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.974 -14.891 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.718 -13.666 -8.898 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.225 -13.576 -5.918 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.086 -13.114 -5.133 1.00 0.00 C ATOM 1618 C ALA A 104 0.640 -14.251 -4.438 1.00 0.00 C ATOM 1619 O ALA A 104 1.770 -14.513 -4.817 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.611 -12.150 -4.068 1.00 0.00 C ATOM 0 H ALA A 104 -1.977 -13.934 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 104 0.623 -12.636 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.221 -11.787 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.103 -11.306 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.325 -12.668 -3.428 1.00 0.00 H new ATOM 1626 N LEU A 105 0.123 -14.861 -3.364 1.00 0.00 N ATOM 1627 CA LEU A 105 0.865 -15.948 -2.776 1.00 0.00 C ATOM 1628 C LEU A 105 0.762 -17.119 -3.730 1.00 0.00 C ATOM 1629 O LEU A 105 -0.215 -17.266 -4.468 1.00 0.00 O ATOM 1630 CB LEU A 105 0.340 -16.348 -1.412 1.00 0.00 C ATOM 1631 CG LEU A 105 0.734 -15.421 -0.252 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.074 -14.120 -0.203 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.529 -16.172 1.058 1.00 0.00 C ATOM 0 H LEU A 105 -0.762 -14.626 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 105 1.897 -15.633 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.748 -16.397 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.695 -17.354 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 105 1.776 -15.141 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.259 -13.516 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.076 -13.564 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.132 -14.353 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.804 -15.528 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.518 -16.461 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.154 -17.065 1.067 1.00 0.00 H new ATOM 1645 N GLN A 106 1.802 -17.927 -3.683 1.00 0.00 N ATOM 1646 CA GLN A 106 2.001 -19.017 -4.612 1.00 0.00 C ATOM 1647 C GLN A 106 1.305 -20.243 -4.051 1.00 0.00 C ATOM 1648 O GLN A 106 0.080 -20.366 -4.257 1.00 0.00 O ATOM 1649 CB GLN A 106 3.503 -19.160 -4.911 1.00 0.00 C ATOM 1650 CG GLN A 106 3.731 -20.169 -6.045 1.00 0.00 C ATOM 1651 CD GLN A 106 5.192 -20.261 -6.476 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.755 -19.309 -7.016 1.00 0.00 O ATOM 1653 NE2 GLN A 106 5.820 -21.406 -6.291 1.00 0.00 N ATOM 1654 OXT GLN A 106 1.959 -21.102 -3.421 1.00 0.00 O ATOM 0 H GLN A 106 2.543 -17.842 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 106 1.548 -18.841 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.918 -18.191 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.029 -19.487 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.390 -21.153 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.122 -19.886 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.339 -22.185 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.787 -21.512 -6.597 1.00 0.00 H new TER 1663 GLN A 106