USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 736 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 Single : A 17 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.017) USER MOD Single : A 22 GLN : amide:sc= -2.06! C(o=-2.1!,f=-3.3!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0539 F(o=-1.3,f=-0.054) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.892 F(o=-3.4!,f=-0.89) USER MOD Single : A 36 SER OG : rot -140:sc= -0.714 USER MOD Single : A 37 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 96:sc= -0.627! USER MOD Single : A 42 SER OG : rot 161:sc= 0.00485 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 56 SER OG : rot -95:sc= 0.862! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.002 K(o=-0.002,f=-0.56) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 70 THR OG1 : rot -59:sc= 0.334 USER MOD Single : A 84 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.41) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0442) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 96:sc= 0.283 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.156 F(o=-1.8,f=-0.16) USER MOD Single : A 107 GLN : amide:sc= -0.0529 X(o=-0.053,f=-1.7e-05) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 96:sc= -4.27! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.392 K(o=-0.39,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -16.921 -0.361 15.770 1.00 0.00 N ATOM 8 CA ALA A 10 -15.660 0.162 16.370 1.00 0.00 C ATOM 9 C ALA A 10 -14.465 -0.349 15.559 1.00 0.00 C ATOM 10 O ALA A 10 -14.541 -1.386 14.931 1.00 0.00 O ATOM 11 CB ALA A 10 -15.540 -0.324 17.817 1.00 0.00 C ATOM 0 HA ALA A 10 -15.674 1.252 16.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.618 0.059 18.254 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.392 0.036 18.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.525 -1.414 17.835 1.00 0.00 H new ATOM 17 N PRO A 11 -13.396 0.402 15.598 1.00 0.00 N ATOM 18 CA PRO A 11 -12.135 0.073 14.871 1.00 0.00 C ATOM 19 C PRO A 11 -11.312 -0.952 15.657 1.00 0.00 C ATOM 20 O PRO A 11 -11.455 -1.096 16.856 1.00 0.00 O ATOM 21 CB PRO A 11 -11.420 1.415 14.798 1.00 0.00 C ATOM 22 CG PRO A 11 -11.955 2.271 15.942 1.00 0.00 C ATOM 23 CD PRO A 11 -13.305 1.681 16.370 1.00 0.00 C ATOM 0 HA PRO A 11 -12.302 -0.373 13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.342 1.282 14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.603 1.897 13.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.256 2.273 16.778 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.073 3.306 15.623 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.341 1.503 17.445 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.129 2.353 16.130 1.00 0.00 H new ATOM 31 N VAL A 12 -10.452 -1.666 14.986 1.00 0.00 N ATOM 32 CA VAL A 12 -9.616 -2.688 15.680 1.00 0.00 C ATOM 33 C VAL A 12 -8.370 -2.960 14.834 1.00 0.00 C ATOM 34 O VAL A 12 -8.314 -2.563 13.691 1.00 0.00 O ATOM 35 CB VAL A 12 -10.429 -3.977 15.833 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.546 -3.756 16.856 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.040 -4.356 14.484 1.00 0.00 C ATOM 0 H VAL A 12 -10.291 -1.586 13.982 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.319 -2.329 16.665 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.777 -4.781 16.175 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.125 -4.673 16.966 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.110 -3.485 17.818 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.199 -2.953 16.514 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.619 -5.273 14.592 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.693 -3.553 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.245 -4.512 13.755 1.00 0.00 H new ATOM 47 N PRO A 13 -7.409 -3.625 15.415 1.00 0.00 N ATOM 48 CA PRO A 13 -6.133 -3.972 14.726 1.00 0.00 C ATOM 49 C PRO A 13 -6.322 -5.221 13.856 1.00 0.00 C ATOM 50 O PRO A 13 -7.216 -6.012 14.078 1.00 0.00 O ATOM 51 CB PRO A 13 -5.179 -4.235 15.885 1.00 0.00 C ATOM 52 CG PRO A 13 -6.031 -4.609 17.094 1.00 0.00 C ATOM 53 CD PRO A 13 -7.459 -4.117 16.829 1.00 0.00 C ATOM 0 HA PRO A 13 -5.770 -3.196 14.052 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.487 -5.040 15.638 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.578 -3.351 16.097 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.021 -5.688 17.250 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.631 -4.153 17.999 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.187 -4.919 16.948 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.743 -3.323 17.519 1.00 0.00 H new ATOM 61 N VAL A 14 -5.494 -5.394 12.861 1.00 0.00 N ATOM 62 CA VAL A 14 -5.636 -6.577 11.970 1.00 0.00 C ATOM 63 C VAL A 14 -4.464 -7.539 12.177 1.00 0.00 C ATOM 64 O VAL A 14 -3.322 -7.136 12.274 1.00 0.00 O ATOM 65 CB VAL A 14 -5.651 -6.109 10.524 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.368 -7.144 9.655 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.363 -4.755 10.407 1.00 0.00 C ATOM 0 H VAL A 14 -4.725 -4.765 12.628 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.565 -7.095 12.207 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.622 -5.995 10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.377 -6.806 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.846 -8.099 9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.393 -7.266 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.365 -4.434 9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.390 -4.852 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.840 -4.015 11.014 1.00 0.00 H new ATOM 77 N ASP A 15 -4.744 -8.813 12.240 1.00 0.00 N ATOM 78 CA ASP A 15 -3.661 -9.817 12.433 1.00 0.00 C ATOM 79 C ASP A 15 -3.343 -10.475 11.082 1.00 0.00 C ATOM 80 O ASP A 15 -4.230 -10.753 10.299 1.00 0.00 O ATOM 81 CB ASP A 15 -4.153 -10.882 13.426 1.00 0.00 C ATOM 82 CG ASP A 15 -5.587 -11.281 13.069 1.00 0.00 C ATOM 83 OD1 ASP A 15 -5.776 -11.840 12.002 1.00 0.00 O ATOM 84 OD2 ASP A 15 -6.470 -11.020 13.869 1.00 0.00 O ATOM 0 H ASP A 15 -5.684 -9.203 12.165 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.762 -9.339 12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.501 -11.755 13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.114 -10.493 14.443 1.00 0.00 H new ATOM 89 N GLU A 16 -2.091 -10.725 10.796 1.00 0.00 N ATOM 90 CA GLU A 16 -1.743 -11.359 9.492 1.00 0.00 C ATOM 91 C GLU A 16 -1.779 -12.883 9.638 1.00 0.00 C ATOM 92 O GLU A 16 -1.124 -13.601 8.908 1.00 0.00 O ATOM 93 CB GLU A 16 -0.340 -10.907 9.054 1.00 0.00 C ATOM 94 CG GLU A 16 -0.402 -9.454 8.577 1.00 0.00 C ATOM 95 CD GLU A 16 -0.392 -9.419 7.049 1.00 0.00 C ATOM 96 OE1 GLU A 16 -1.344 -9.902 6.458 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.569 -8.913 6.494 1.00 0.00 O ATOM 0 H GLU A 16 -1.300 -10.519 11.406 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.467 -11.054 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.360 -11.000 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.028 -11.549 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.304 -8.974 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.447 -8.894 8.970 1.00 0.00 H new ATOM 104 N ASN A 17 -2.542 -13.386 10.575 1.00 0.00 N ATOM 105 CA ASN A 17 -2.620 -14.855 10.765 1.00 0.00 C ATOM 106 C ASN A 17 -3.813 -15.411 9.982 1.00 0.00 C ATOM 107 O ASN A 17 -3.942 -16.604 9.791 1.00 0.00 O ATOM 108 CB ASN A 17 -2.807 -15.146 12.249 1.00 0.00 C ATOM 109 CG ASN A 17 -1.644 -14.543 13.039 1.00 0.00 C ATOM 110 OD1 ASN A 17 -0.496 -14.822 12.760 1.00 0.00 O ATOM 111 ND2 ASN A 17 -1.896 -13.720 14.020 1.00 0.00 N ATOM 0 H ASN A 17 -3.114 -12.836 11.216 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.705 -15.325 10.405 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.752 -14.727 12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.855 -16.222 12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.128 -13.311 14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.861 -13.486 14.254 1.00 0.00 H new ATOM 118 N ASP A 18 -4.691 -14.555 9.535 1.00 0.00 N ATOM 119 CA ASP A 18 -5.880 -15.032 8.772 1.00 0.00 C ATOM 120 C ASP A 18 -5.558 -15.059 7.276 1.00 0.00 C ATOM 121 O ASP A 18 -5.147 -14.071 6.702 1.00 0.00 O ATOM 122 CB ASP A 18 -7.056 -14.087 9.025 1.00 0.00 C ATOM 123 CG ASP A 18 -8.179 -14.389 8.030 1.00 0.00 C ATOM 124 OD1 ASP A 18 -8.614 -15.529 7.989 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.583 -13.477 7.328 1.00 0.00 O ATOM 0 H ASP A 18 -4.636 -13.545 9.665 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.141 -16.038 9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.419 -14.207 10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.733 -13.051 8.921 1.00 0.00 H new ATOM 130 N GLU A 19 -5.743 -16.185 6.642 1.00 0.00 N ATOM 131 CA GLU A 19 -5.447 -16.274 5.179 1.00 0.00 C ATOM 132 C GLU A 19 -6.547 -15.544 4.381 1.00 0.00 C ATOM 133 O GLU A 19 -6.390 -15.273 3.207 1.00 0.00 O ATOM 134 CB GLU A 19 -5.352 -17.766 4.775 1.00 0.00 C ATOM 135 CG GLU A 19 -5.941 -17.997 3.383 1.00 0.00 C ATOM 136 CD GLU A 19 -5.083 -17.284 2.335 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.221 -16.515 2.727 1.00 0.00 O ATOM 138 OE2 GLU A 19 -5.304 -17.520 1.159 1.00 0.00 O ATOM 0 H GLU A 19 -6.085 -17.045 7.070 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.496 -15.792 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.310 -18.084 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.883 -18.378 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.983 -19.065 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.964 -17.624 3.344 1.00 0.00 H new ATOM 145 N GLY A 20 -7.652 -15.217 5.000 1.00 0.00 N ATOM 146 CA GLY A 20 -8.734 -14.507 4.258 1.00 0.00 C ATOM 147 C GLY A 20 -8.251 -13.109 3.860 1.00 0.00 C ATOM 148 O GLY A 20 -8.530 -12.628 2.779 1.00 0.00 O ATOM 0 H GLY A 20 -7.851 -15.410 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.012 -15.074 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.626 -14.431 4.880 1.00 0.00 H new ATOM 152 N LEU A 21 -7.531 -12.452 4.729 1.00 0.00 N ATOM 153 CA LEU A 21 -7.034 -11.079 4.403 1.00 0.00 C ATOM 154 C LEU A 21 -5.858 -11.164 3.422 1.00 0.00 C ATOM 155 O LEU A 21 -5.466 -10.179 2.829 1.00 0.00 O ATOM 156 CB LEU A 21 -6.579 -10.378 5.687 1.00 0.00 C ATOM 157 CG LEU A 21 -6.325 -8.896 5.399 1.00 0.00 C ATOM 158 CD1 LEU A 21 -6.494 -8.091 6.690 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.902 -8.713 4.868 1.00 0.00 C ATOM 0 H LEU A 21 -7.265 -12.803 5.649 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.842 -10.510 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.340 -10.484 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.671 -10.846 6.067 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.038 -8.544 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.313 -7.035 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.508 -8.219 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.781 -8.444 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.723 -7.657 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.188 -9.065 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.780 -9.286 3.949 1.00 0.00 H new ATOM 171 N GLN A 22 -5.289 -12.328 3.243 1.00 0.00 N ATOM 172 CA GLN A 22 -4.146 -12.464 2.307 1.00 0.00 C ATOM 173 C GLN A 22 -4.595 -12.115 0.887 1.00 0.00 C ATOM 174 O GLN A 22 -3.789 -11.936 -0.003 1.00 0.00 O ATOM 175 CB GLN A 22 -3.605 -13.891 2.367 1.00 0.00 C ATOM 176 CG GLN A 22 -2.154 -13.888 1.910 1.00 0.00 C ATOM 177 CD GLN A 22 -1.658 -15.329 1.770 1.00 0.00 C ATOM 178 OE1 GLN A 22 -1.913 -16.156 2.623 1.00 0.00 O ATOM 179 NE2 GLN A 22 -0.955 -15.665 0.723 1.00 0.00 N ATOM 0 H GLN A 22 -5.572 -13.190 3.709 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.351 -11.776 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.679 -14.280 3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.199 -14.546 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.063 -13.367 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.537 -13.348 2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.742 -14.970 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.619 -16.623 0.620 1.00 0.00 H new ATOM 188 N ARG A 23 -5.878 -12.011 0.671 1.00 0.00 N ATOM 189 CA ARG A 23 -6.373 -11.663 -0.691 1.00 0.00 C ATOM 190 C ARG A 23 -6.242 -10.155 -0.897 1.00 0.00 C ATOM 191 O ARG A 23 -5.698 -9.694 -1.880 1.00 0.00 O ATOM 192 CB ARG A 23 -7.841 -12.072 -0.820 1.00 0.00 C ATOM 193 CG ARG A 23 -8.398 -11.564 -2.152 1.00 0.00 C ATOM 194 CD ARG A 23 -9.897 -11.862 -2.226 1.00 0.00 C ATOM 195 NE ARG A 23 -10.110 -13.172 -2.904 1.00 0.00 N ATOM 196 CZ ARG A 23 -11.263 -13.442 -3.455 1.00 0.00 C ATOM 197 NH1 ARG A 23 -11.508 -13.052 -4.676 1.00 0.00 N ATOM 198 NH2 ARG A 23 -12.169 -14.101 -2.785 1.00 0.00 N ATOM 0 H ARG A 23 -6.602 -12.151 1.376 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.786 -12.190 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.933 -13.157 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.418 -11.661 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.225 -10.492 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.880 -12.044 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.324 -11.886 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.410 -11.070 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.356 -13.858 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.800 -12.537 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.408 -13.262 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.977 -14.405 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.069 -14.312 -3.216 1.00 0.00 H new ATOM 212 N ALA A 24 -6.737 -9.380 0.031 1.00 0.00 N ATOM 213 CA ALA A 24 -6.644 -7.904 -0.100 1.00 0.00 C ATOM 214 C ALA A 24 -5.179 -7.499 -0.293 1.00 0.00 C ATOM 215 O ALA A 24 -4.878 -6.407 -0.735 1.00 0.00 O ATOM 216 CB ALA A 24 -7.188 -7.246 1.170 1.00 0.00 C ATOM 0 H ALA A 24 -7.203 -9.711 0.876 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.228 -7.578 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.121 -6.162 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.230 -7.534 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.602 -7.573 2.029 1.00 0.00 H new ATOM 222 N LEU A 25 -4.264 -8.369 0.050 1.00 0.00 N ATOM 223 CA LEU A 25 -2.826 -8.046 -0.091 1.00 0.00 C ATOM 224 C LEU A 25 -2.427 -8.093 -1.572 1.00 0.00 C ATOM 225 O LEU A 25 -1.712 -7.237 -2.056 1.00 0.00 O ATOM 226 CB LEU A 25 -2.035 -9.070 0.745 1.00 0.00 C ATOM 227 CG LEU A 25 -0.618 -9.245 0.209 1.00 0.00 C ATOM 228 CD1 LEU A 25 -0.684 -10.155 -1.015 1.00 0.00 C ATOM 229 CD2 LEU A 25 -0.023 -7.888 -0.175 1.00 0.00 C ATOM 0 H LEU A 25 -4.461 -9.297 0.425 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.608 -7.041 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.995 -8.742 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.552 -10.030 0.733 1.00 0.00 H new ATOM 0 HG LEU A 25 0.019 -9.687 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.319 -10.296 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.099 -11.121 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.319 -9.698 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.989 -8.029 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.640 -7.425 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.006 -7.242 0.703 1.00 0.00 H new ATOM 241 N GLN A 26 -2.882 -9.076 -2.300 1.00 0.00 N ATOM 242 CA GLN A 26 -2.520 -9.156 -3.749 1.00 0.00 C ATOM 243 C GLN A 26 -3.071 -7.916 -4.465 1.00 0.00 C ATOM 244 O GLN A 26 -2.472 -7.397 -5.387 1.00 0.00 O ATOM 245 CB GLN A 26 -3.138 -10.434 -4.376 1.00 0.00 C ATOM 246 CG GLN A 26 -2.297 -11.690 -4.053 1.00 0.00 C ATOM 247 CD GLN A 26 -2.515 -12.751 -5.142 1.00 0.00 C ATOM 248 OE1 GLN A 26 -3.497 -12.620 -5.999 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -1.778 -13.714 -5.216 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.485 -9.824 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.436 -9.197 -3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.153 -10.569 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.210 -10.312 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.241 -11.427 -3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.581 -12.090 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.011 -13.822 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.926 -14.415 -5.942 1.00 0.00 H new ATOM 258 N PHE A 27 -4.201 -7.434 -4.034 1.00 0.00 N ATOM 259 CA PHE A 27 -4.800 -6.214 -4.673 1.00 0.00 C ATOM 260 C PHE A 27 -3.780 -5.089 -4.676 1.00 0.00 C ATOM 261 O PHE A 27 -3.597 -4.392 -5.656 1.00 0.00 O ATOM 262 CB PHE A 27 -6.005 -5.731 -3.875 1.00 0.00 C ATOM 263 CG PHE A 27 -7.152 -5.405 -4.802 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.908 -4.705 -5.992 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.461 -5.770 -4.461 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.970 -4.376 -6.839 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.524 -5.429 -5.305 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.275 -4.734 -6.494 1.00 0.00 C ATOM 0 H PHE A 27 -4.743 -7.828 -3.265 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.100 -6.477 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.310 -6.499 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.735 -4.848 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.900 -4.420 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.650 -6.314 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.781 -3.845 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.535 -5.702 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.095 -4.474 -7.147 1.00 0.00 H new ATOM 278 N ALA A 28 -3.140 -4.888 -3.567 1.00 0.00 N ATOM 279 CA ALA A 28 -2.149 -3.786 -3.459 1.00 0.00 C ATOM 280 C ALA A 28 -0.957 -4.041 -4.387 1.00 0.00 C ATOM 281 O ALA A 28 -0.381 -3.121 -4.931 1.00 0.00 O ATOM 282 CB ALA A 28 -1.675 -3.702 -2.013 1.00 0.00 C ATOM 0 H ALA A 28 -3.260 -5.444 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.614 -2.846 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.946 -2.897 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.526 -3.502 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.213 -4.647 -1.726 1.00 0.00 H new ATOM 288 N MET A 29 -0.576 -5.274 -4.569 1.00 0.00 N ATOM 289 CA MET A 29 0.586 -5.569 -5.460 1.00 0.00 C ATOM 290 C MET A 29 0.262 -5.178 -6.907 1.00 0.00 C ATOM 291 O MET A 29 1.149 -4.944 -7.704 1.00 0.00 O ATOM 292 CB MET A 29 0.909 -7.062 -5.394 1.00 0.00 C ATOM 293 CG MET A 29 2.350 -7.249 -4.916 1.00 0.00 C ATOM 294 SD MET A 29 3.483 -7.015 -6.307 1.00 0.00 S ATOM 295 CE MET A 29 4.834 -6.254 -5.374 1.00 0.00 C ATOM 0 H MET A 29 -1.016 -6.089 -4.142 1.00 0.00 H new ATOM 0 HA MET A 29 1.446 -4.990 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.221 -7.565 -4.715 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.778 -7.518 -6.375 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.577 -6.535 -4.124 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.478 -8.245 -4.493 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.657 -6.022 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.480 -5.336 -4.904 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.180 -6.945 -4.605 1.00 0.00 H new ATOM 305 N ALA A 30 -0.992 -5.106 -7.259 1.00 0.00 N ATOM 306 CA ALA A 30 -1.348 -4.729 -8.658 1.00 0.00 C ATOM 307 C ALA A 30 -1.359 -3.205 -8.787 1.00 0.00 C ATOM 308 O ALA A 30 -0.765 -2.645 -9.686 1.00 0.00 O ATOM 309 CB ALA A 30 -2.732 -5.283 -9.000 1.00 0.00 C ATOM 0 H ALA A 30 -1.783 -5.291 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.612 -5.146 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.992 -5.007 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.722 -6.369 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.470 -4.868 -8.314 1.00 0.00 H new ATOM 315 N GLU A 31 -2.028 -2.528 -7.896 1.00 0.00 N ATOM 316 CA GLU A 31 -2.068 -1.043 -7.967 1.00 0.00 C ATOM 317 C GLU A 31 -0.636 -0.508 -7.892 1.00 0.00 C ATOM 318 O GLU A 31 -0.290 0.473 -8.513 1.00 0.00 O ATOM 319 CB GLU A 31 -2.890 -0.467 -6.801 1.00 0.00 C ATOM 320 CG GLU A 31 -3.029 -1.482 -5.665 1.00 0.00 C ATOM 321 CD GLU A 31 -3.395 -0.750 -4.371 1.00 0.00 C ATOM 322 OE1 GLU A 31 -2.951 0.374 -4.204 1.00 0.00 O ATOM 323 OE2 GLU A 31 -4.112 -1.326 -3.568 1.00 0.00 O ATOM 0 H GLU A 31 -2.549 -2.940 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.537 -0.742 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.410 0.437 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.879 -0.179 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.797 -2.216 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.095 -2.029 -5.535 1.00 0.00 H new ATOM 330 N TYR A 32 0.203 -1.148 -7.140 1.00 0.00 N ATOM 331 CA TYR A 32 1.622 -0.666 -7.042 1.00 0.00 C ATOM 332 C TYR A 32 2.260 -0.688 -8.427 1.00 0.00 C ATOM 333 O TYR A 32 3.133 0.095 -8.739 1.00 0.00 O ATOM 334 CB TYR A 32 2.433 -1.585 -6.132 1.00 0.00 C ATOM 335 CG TYR A 32 3.814 -0.993 -5.924 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.963 0.367 -5.612 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.951 -1.805 -6.046 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.240 0.908 -5.422 1.00 0.00 C ATOM 339 CE2 TYR A 32 6.226 -1.261 -5.856 1.00 0.00 C ATOM 340 CZ TYR A 32 6.372 0.094 -5.544 1.00 0.00 C ATOM 341 OH TYR A 32 7.630 0.628 -5.357 1.00 0.00 O ATOM 0 H TYR A 32 -0.018 -1.978 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 32 1.617 0.345 -6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.928 -1.705 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.513 -2.577 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.091 0.997 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.842 -2.852 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.352 1.955 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.099 -1.889 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 32 8.304 -0.073 -5.477 1.00 0.00 H new ATOM 351 N ASN A 33 1.835 -1.598 -9.246 1.00 0.00 N ATOM 352 CA ASN A 33 2.439 -1.693 -10.634 1.00 0.00 C ATOM 353 C ASN A 33 1.767 -0.698 -11.589 1.00 0.00 C ATOM 354 O ASN A 33 2.427 0.113 -12.206 1.00 0.00 O ATOM 355 CB ASN A 33 2.329 -3.118 -11.245 1.00 0.00 C ATOM 356 CG ASN A 33 2.806 -3.068 -12.708 1.00 0.00 C ATOM 357 OD1 ASN A 33 2.076 -2.474 -13.622 1.00 0.00 O flip ATOM 358 ND2 ASN A 33 3.862 -3.578 -13.024 1.00 0.00 N flip ATOM 0 H ASN A 33 1.106 -2.281 -9.037 1.00 0.00 H new ATOM 0 HA ASN A 33 3.496 -1.453 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.935 -3.821 -10.674 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.299 -3.472 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.435 -4.042 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.175 -3.543 -13.994 1.00 0.00 H new ATOM 365 N ARG A 34 0.473 -0.766 -11.743 1.00 0.00 N ATOM 366 CA ARG A 34 -0.216 0.149 -12.675 1.00 0.00 C ATOM 367 C ARG A 34 -0.467 1.506 -12.009 1.00 0.00 C ATOM 368 O ARG A 34 -0.235 2.545 -12.592 1.00 0.00 O ATOM 369 CB ARG A 34 -1.537 -0.503 -13.049 1.00 0.00 C ATOM 370 CG ARG A 34 -2.439 -0.592 -11.817 1.00 0.00 C ATOM 371 CD ARG A 34 -3.690 -1.403 -12.160 1.00 0.00 C ATOM 372 NE ARG A 34 -4.324 -1.893 -10.904 1.00 0.00 N ATOM 373 CZ ARG A 34 -5.619 -2.057 -10.844 1.00 0.00 C ATOM 374 NH1 ARG A 34 -6.298 -2.290 -11.934 1.00 0.00 N ATOM 375 NH2 ARG A 34 -6.233 -1.988 -9.694 1.00 0.00 N ATOM 0 H ARG A 34 -0.135 -1.424 -11.256 1.00 0.00 H new ATOM 0 HA ARG A 34 0.395 0.325 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.030 0.075 -13.831 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.359 -1.499 -13.454 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.902 -1.062 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.720 0.408 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.394 -0.787 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.426 -2.245 -12.800 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.746 -2.101 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.818 -2.344 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.309 -2.418 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.702 -1.806 -8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.244 -2.116 -9.647 1.00 0.00 H new ATOM 389 N ALA A 35 -0.951 1.502 -10.800 1.00 0.00 N ATOM 390 CA ALA A 35 -1.229 2.785 -10.094 1.00 0.00 C ATOM 391 C ALA A 35 0.069 3.592 -9.923 1.00 0.00 C ATOM 392 O ALA A 35 0.032 4.760 -9.590 1.00 0.00 O ATOM 393 CB ALA A 35 -1.817 2.487 -8.713 1.00 0.00 C ATOM 0 H ALA A 35 -1.168 0.660 -10.266 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.937 3.366 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.021 3.424 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.744 1.925 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.105 1.899 -8.133 1.00 0.00 H new ATOM 399 N SER A 36 1.217 2.988 -10.130 1.00 0.00 N ATOM 400 CA SER A 36 2.493 3.749 -9.956 1.00 0.00 C ATOM 401 C SER A 36 2.703 4.707 -11.130 1.00 0.00 C ATOM 402 O SER A 36 3.663 5.446 -11.164 1.00 0.00 O ATOM 403 CB SER A 36 3.673 2.769 -9.828 1.00 0.00 C ATOM 404 OG SER A 36 3.367 1.570 -10.525 1.00 0.00 O ATOM 0 H SER A 36 1.324 2.013 -10.409 1.00 0.00 H new ATOM 0 HA SER A 36 2.435 4.341 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.579 3.218 -10.235 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.868 2.553 -8.778 1.00 0.00 H new ATOM 0 HG SER A 36 3.683 0.801 -10.007 1.00 0.00 H new ATOM 410 N ASN A 37 1.796 4.701 -12.073 1.00 0.00 N ATOM 411 CA ASN A 37 1.895 5.613 -13.263 1.00 0.00 C ATOM 412 C ASN A 37 3.357 5.915 -13.622 1.00 0.00 C ATOM 413 O ASN A 37 3.953 5.260 -14.455 1.00 0.00 O ATOM 414 CB ASN A 37 1.177 6.929 -12.951 1.00 0.00 C ATOM 415 CG ASN A 37 1.429 7.930 -14.093 1.00 0.00 C ATOM 416 OD1 ASN A 37 2.068 7.596 -15.071 1.00 0.00 O ATOM 417 ND2 ASN A 37 0.953 9.148 -14.014 1.00 0.00 N ATOM 0 H ASN A 37 0.976 4.094 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 37 1.430 5.112 -14.112 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.107 6.754 -12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.537 7.338 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.119 9.811 -14.771 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.416 9.434 -13.195 1.00 0.00 H new ATOM 424 N ASP A 38 3.922 6.925 -13.014 1.00 0.00 N ATOM 425 CA ASP A 38 5.322 7.322 -13.304 1.00 0.00 C ATOM 426 C ASP A 38 6.233 6.097 -13.467 1.00 0.00 C ATOM 427 O ASP A 38 5.858 4.976 -13.186 1.00 0.00 O ATOM 428 CB ASP A 38 5.807 8.196 -12.146 1.00 0.00 C ATOM 429 CG ASP A 38 6.321 7.326 -10.992 1.00 0.00 C ATOM 430 OD1 ASP A 38 5.933 6.171 -10.927 1.00 0.00 O ATOM 431 OD2 ASP A 38 7.089 7.834 -10.193 1.00 0.00 O ATOM 0 H ASP A 38 3.456 7.501 -12.313 1.00 0.00 H new ATOM 0 HA ASP A 38 5.359 7.871 -14.245 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.601 8.858 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.993 8.830 -11.796 1.00 0.00 H new ATOM 436 N LYS A 39 7.440 6.323 -13.913 1.00 0.00 N ATOM 437 CA LYS A 39 8.408 5.207 -14.102 1.00 0.00 C ATOM 438 C LYS A 39 9.681 5.536 -13.338 1.00 0.00 C ATOM 439 O LYS A 39 10.766 5.286 -13.813 1.00 0.00 O ATOM 440 CB LYS A 39 8.772 5.102 -15.579 1.00 0.00 C ATOM 441 CG LYS A 39 9.417 6.408 -16.037 1.00 0.00 C ATOM 442 CD LYS A 39 8.537 7.066 -17.102 1.00 0.00 C ATOM 443 CE LYS A 39 9.312 7.165 -18.417 1.00 0.00 C ATOM 444 NZ LYS A 39 8.718 8.238 -19.265 1.00 0.00 N ATOM 0 H LYS A 39 7.799 7.246 -14.157 1.00 0.00 H new ATOM 0 HA LYS A 39 7.966 4.275 -13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.458 4.270 -15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.880 4.897 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.544 7.080 -15.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.411 6.213 -16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.627 6.484 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.231 8.059 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.361 7.383 -18.218 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.279 6.211 -18.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.245 8.305 -20.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.723 8.011 -19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.771 9.147 -18.762 1.00 0.00 H new ATOM 458 N TYR A 40 9.582 6.143 -12.188 1.00 0.00 N ATOM 459 CA TYR A 40 10.825 6.519 -11.477 1.00 0.00 C ATOM 460 C TYR A 40 10.465 7.099 -10.101 1.00 0.00 C ATOM 461 O TYR A 40 9.391 7.634 -9.914 1.00 0.00 O ATOM 462 CB TYR A 40 11.486 7.658 -12.289 1.00 0.00 C ATOM 463 CG TYR A 40 12.567 7.186 -13.301 1.00 0.00 C ATOM 464 CD1 TYR A 40 13.870 6.882 -12.847 1.00 0.00 C ATOM 465 CD2 TYR A 40 12.309 7.096 -14.698 1.00 0.00 C ATOM 466 CE1 TYR A 40 14.869 6.498 -13.738 1.00 0.00 C ATOM 467 CE2 TYR A 40 13.323 6.702 -15.578 1.00 0.00 C ATOM 468 CZ TYR A 40 14.597 6.403 -15.101 1.00 0.00 C ATOM 469 OH TYR A 40 15.591 6.021 -15.978 1.00 0.00 O ATOM 0 H TYR A 40 8.710 6.389 -11.721 1.00 0.00 H new ATOM 0 HA TYR A 40 11.477 5.652 -11.367 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.710 8.198 -12.832 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.940 8.365 -11.595 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.095 6.948 -11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.327 7.333 -15.080 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.859 6.273 -13.371 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.116 6.629 -16.636 1.00 0.00 H new ATOM 0 HH TYR A 40 15.234 6.004 -16.890 1.00 0.00 H new ATOM 479 N SER A 41 11.365 7.049 -9.151 1.00 0.00 N ATOM 480 CA SER A 41 11.064 7.662 -7.825 1.00 0.00 C ATOM 481 C SER A 41 10.125 6.827 -6.999 1.00 0.00 C ATOM 482 O SER A 41 9.664 7.261 -5.995 1.00 0.00 O ATOM 483 CB SER A 41 10.433 9.034 -8.011 1.00 0.00 C ATOM 484 OG SER A 41 10.709 9.522 -9.316 1.00 0.00 O ATOM 0 H SER A 41 12.284 6.615 -9.236 1.00 0.00 H new ATOM 0 HA SER A 41 12.016 7.735 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.356 8.972 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.822 9.727 -7.265 1.00 0.00 H new ATOM 0 HG SER A 41 9.954 9.321 -9.907 1.00 0.00 H new ATOM 490 N SER A 42 9.859 5.653 -7.393 1.00 0.00 N ATOM 491 CA SER A 42 8.913 4.813 -6.580 1.00 0.00 C ATOM 492 C SER A 42 9.600 3.570 -5.951 1.00 0.00 C ATOM 493 O SER A 42 10.169 2.760 -6.655 1.00 0.00 O ATOM 494 CB SER A 42 7.770 4.325 -7.477 1.00 0.00 C ATOM 495 OG SER A 42 7.352 5.380 -8.330 1.00 0.00 O ATOM 0 H SER A 42 10.235 5.211 -8.232 1.00 0.00 H new ATOM 0 HA SER A 42 8.547 5.443 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.099 3.472 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.934 3.985 -6.866 1.00 0.00 H new ATOM 0 HG SER A 42 6.863 5.009 -9.094 1.00 0.00 H new ATOM 501 N ARG A 43 9.509 3.375 -4.636 1.00 0.00 N ATOM 502 CA ARG A 43 10.107 2.158 -4.009 1.00 0.00 C ATOM 503 C ARG A 43 9.608 2.078 -2.559 1.00 0.00 C ATOM 504 O ARG A 43 9.577 3.068 -1.858 1.00 0.00 O ATOM 505 CB ARG A 43 11.641 2.230 -4.040 1.00 0.00 C ATOM 506 CG ARG A 43 12.132 3.292 -3.056 1.00 0.00 C ATOM 507 CD ARG A 43 13.667 3.374 -3.094 1.00 0.00 C ATOM 508 NE ARG A 43 14.239 2.153 -3.742 1.00 0.00 N ATOM 509 CZ ARG A 43 15.239 1.524 -3.184 1.00 0.00 C ATOM 510 NH1 ARG A 43 16.299 2.184 -2.809 1.00 0.00 N ATOM 511 NH2 ARG A 43 15.178 0.231 -3.007 1.00 0.00 N ATOM 0 H ARG A 43 9.046 4.011 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 43 9.807 1.269 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.065 1.259 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.982 2.469 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.701 4.261 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.797 3.048 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.976 4.263 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.057 3.473 -2.081 1.00 0.00 H new ATOM 0 HE ARG A 43 13.848 1.811 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.348 3.193 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.079 1.692 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.351 -0.286 -3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.958 -0.261 -2.572 1.00 0.00 H new ATOM 525 N VAL A 44 9.187 0.925 -2.109 1.00 0.00 N ATOM 526 CA VAL A 44 8.659 0.821 -0.715 1.00 0.00 C ATOM 527 C VAL A 44 9.774 0.419 0.261 1.00 0.00 C ATOM 528 O VAL A 44 10.816 -0.066 -0.130 1.00 0.00 O ATOM 529 CB VAL A 44 7.530 -0.229 -0.681 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.119 -1.637 -0.528 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.607 0.065 0.502 1.00 0.00 C ATOM 0 H VAL A 44 9.185 0.055 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 44 8.272 1.793 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 44 6.969 -0.180 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.311 -2.369 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.778 -1.849 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.687 -1.695 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.806 -0.674 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.178 0.019 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.178 1.061 0.390 1.00 0.00 H new ATOM 541 N VAL A 45 9.545 0.617 1.536 1.00 0.00 N ATOM 542 CA VAL A 45 10.569 0.246 2.555 1.00 0.00 C ATOM 543 C VAL A 45 9.967 -0.766 3.537 1.00 0.00 C ATOM 544 O VAL A 45 10.477 -1.855 3.711 1.00 0.00 O ATOM 545 CB VAL A 45 11.006 1.486 3.341 1.00 0.00 C ATOM 546 CG1 VAL A 45 12.440 1.290 3.836 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.944 2.722 2.445 1.00 0.00 C ATOM 0 H VAL A 45 8.688 1.022 1.914 1.00 0.00 H new ATOM 0 HA VAL A 45 11.430 -0.186 2.045 1.00 0.00 H new ATOM 0 HB VAL A 45 10.337 1.627 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.755 2.170 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.485 0.413 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.103 1.146 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.256 3.599 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.608 2.586 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.923 2.864 2.091 1.00 0.00 H new ATOM 557 N ARG A 46 8.890 -0.407 4.192 1.00 0.00 N ATOM 558 CA ARG A 46 8.262 -1.340 5.173 1.00 0.00 C ATOM 559 C ARG A 46 6.834 -0.881 5.484 1.00 0.00 C ATOM 560 O ARG A 46 6.340 0.075 4.922 1.00 0.00 O ATOM 561 CB ARG A 46 9.082 -1.324 6.465 1.00 0.00 C ATOM 562 CG ARG A 46 9.402 0.125 6.835 1.00 0.00 C ATOM 563 CD ARG A 46 10.370 0.152 8.020 1.00 0.00 C ATOM 564 NE ARG A 46 10.578 1.562 8.456 1.00 0.00 N ATOM 565 CZ ARG A 46 11.533 1.850 9.296 1.00 0.00 C ATOM 566 NH1 ARG A 46 12.753 2.024 8.864 1.00 0.00 N ATOM 567 NH2 ARG A 46 11.269 1.964 10.570 1.00 0.00 N ATOM 0 H ARG A 46 8.420 0.492 4.088 1.00 0.00 H new ATOM 0 HA ARG A 46 8.236 -2.346 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.525 -1.804 7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.004 -1.891 6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.842 0.640 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.485 0.657 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.971 -0.440 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.322 -0.297 7.737 1.00 0.00 H new ATOM 0 HE ARG A 46 9.974 2.301 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.959 1.935 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.500 2.249 9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.316 1.828 10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.016 2.189 11.227 1.00 0.00 H new ATOM 581 N VAL A 47 6.175 -1.558 6.387 1.00 0.00 N ATOM 582 CA VAL A 47 4.783 -1.171 6.756 1.00 0.00 C ATOM 583 C VAL A 47 4.813 -0.446 8.111 1.00 0.00 C ATOM 584 O VAL A 47 5.678 -0.686 8.929 1.00 0.00 O ATOM 585 CB VAL A 47 3.906 -2.442 6.823 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.703 -2.895 8.273 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.547 -2.143 6.188 1.00 0.00 C ATOM 0 H VAL A 47 6.544 -2.367 6.887 1.00 0.00 H new ATOM 0 HA VAL A 47 4.358 -0.499 6.010 1.00 0.00 H new ATOM 0 HB VAL A 47 4.409 -3.243 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.082 -3.791 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.671 -3.115 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.211 -2.102 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.921 -3.035 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.062 -1.333 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.688 -1.848 5.148 1.00 0.00 H new ATOM 597 N ILE A 48 3.885 0.438 8.352 1.00 0.00 N ATOM 598 CA ILE A 48 3.881 1.173 9.650 1.00 0.00 C ATOM 599 C ILE A 48 2.824 0.577 10.588 1.00 0.00 C ATOM 600 O ILE A 48 2.976 0.597 11.793 1.00 0.00 O ATOM 601 CB ILE A 48 3.563 2.647 9.399 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.612 3.243 8.457 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.582 3.406 10.727 1.00 0.00 C ATOM 604 CD1 ILE A 48 4.310 4.726 8.227 1.00 0.00 C ATOM 0 H ILE A 48 3.132 0.683 7.710 1.00 0.00 H new ATOM 0 HA ILE A 48 4.863 1.082 10.114 1.00 0.00 H new ATOM 0 HB ILE A 48 2.576 2.733 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.608 3.126 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.608 2.709 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.355 4.457 10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.835 2.983 11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.569 3.320 11.181 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.057 5.150 7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.321 4.831 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.336 5.255 9.180 1.00 0.00 H new ATOM 616 N SER A 49 1.765 0.043 10.043 1.00 0.00 N ATOM 617 CA SER A 49 0.694 -0.559 10.898 1.00 0.00 C ATOM 618 C SER A 49 -0.478 -0.989 10.013 1.00 0.00 C ATOM 619 O SER A 49 -0.474 -0.779 8.817 1.00 0.00 O ATOM 620 CB SER A 49 0.200 0.458 11.937 1.00 0.00 C ATOM 621 OG SER A 49 -0.410 -0.232 13.018 1.00 0.00 O ATOM 0 H SER A 49 1.592 -0.004 9.039 1.00 0.00 H new ATOM 0 HA SER A 49 1.105 -1.423 11.420 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.034 1.059 12.299 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.513 1.144 11.480 1.00 0.00 H new ATOM 0 HG SER A 49 -0.725 0.415 13.683 1.00 0.00 H new ATOM 627 N ALA A 50 -1.483 -1.588 10.592 1.00 0.00 N ATOM 628 CA ALA A 50 -2.651 -2.029 9.781 1.00 0.00 C ATOM 629 C ALA A 50 -3.908 -2.027 10.652 1.00 0.00 C ATOM 630 O ALA A 50 -3.981 -2.710 11.655 1.00 0.00 O ATOM 631 CB ALA A 50 -2.398 -3.442 9.251 1.00 0.00 C ATOM 0 H ALA A 50 -1.545 -1.790 11.590 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.791 -1.346 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.252 -3.766 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.503 -3.443 8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.258 -4.125 10.089 1.00 0.00 H new ATOM 637 N LYS A 51 -4.900 -1.264 10.281 1.00 0.00 N ATOM 638 CA LYS A 51 -6.151 -1.226 11.094 1.00 0.00 C ATOM 639 C LYS A 51 -7.352 -1.541 10.197 1.00 0.00 C ATOM 640 O LYS A 51 -7.376 -1.197 9.033 1.00 0.00 O ATOM 641 CB LYS A 51 -6.320 0.168 11.709 1.00 0.00 C ATOM 642 CG LYS A 51 -4.989 0.624 12.309 1.00 0.00 C ATOM 643 CD LYS A 51 -4.973 2.150 12.419 1.00 0.00 C ATOM 644 CE LYS A 51 -3.573 2.619 12.821 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.578 4.098 13.001 1.00 0.00 N ATOM 0 H LYS A 51 -4.900 -0.667 9.454 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.090 -1.967 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.650 0.876 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.090 0.146 12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.850 0.177 13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.162 0.285 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.258 2.597 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.704 2.480 13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.266 2.130 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.850 2.337 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.627 4.418 13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.854 4.555 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.257 4.355 13.746 1.00 0.00 H new ATOM 659 N ARG A 52 -8.348 -2.195 10.728 1.00 0.00 N ATOM 660 CA ARG A 52 -9.542 -2.531 9.903 1.00 0.00 C ATOM 661 C ARG A 52 -10.792 -1.924 10.531 1.00 0.00 C ATOM 662 O ARG A 52 -10.992 -1.964 11.728 1.00 0.00 O ATOM 663 CB ARG A 52 -9.711 -4.057 9.820 1.00 0.00 C ATOM 664 CG ARG A 52 -9.736 -4.647 11.231 1.00 0.00 C ATOM 665 CD ARG A 52 -9.461 -6.151 11.162 1.00 0.00 C ATOM 666 NE ARG A 52 -10.733 -6.878 10.890 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.050 -7.927 11.599 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.539 -9.092 11.304 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.877 -7.813 12.603 1.00 0.00 N ATOM 0 H ARG A 52 -8.387 -2.511 11.697 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.401 -2.126 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.634 -4.303 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.893 -4.493 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.987 -4.158 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.705 -4.465 11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.734 -6.363 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.027 -6.495 12.101 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.356 -6.556 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.893 -9.182 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.786 -9.912 11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.276 -6.903 12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.124 -8.634 13.156 1.00 0.00 H new ATOM 683 N GLN A 53 -11.634 -1.377 9.713 1.00 0.00 N ATOM 684 CA GLN A 53 -12.896 -0.769 10.212 1.00 0.00 C ATOM 685 C GLN A 53 -14.067 -1.504 9.566 1.00 0.00 C ATOM 686 O GLN A 53 -13.882 -2.333 8.696 1.00 0.00 O ATOM 687 CB GLN A 53 -12.941 0.711 9.823 1.00 0.00 C ATOM 688 CG GLN A 53 -11.962 1.494 10.697 1.00 0.00 C ATOM 689 CD GLN A 53 -12.607 2.813 11.133 1.00 0.00 C ATOM 690 OE1 GLN A 53 -12.145 3.877 10.772 1.00 0.00 O ATOM 691 NE2 GLN A 53 -13.662 2.786 11.900 1.00 0.00 N ATOM 0 H GLN A 53 -11.503 -1.322 8.703 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.952 -0.851 11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.682 0.830 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.951 1.101 9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.688 0.905 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.043 1.691 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.050 1.892 12.203 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.099 3.658 12.197 1.00 0.00 H new ATOM 700 N LEU A 54 -15.268 -1.219 9.973 1.00 0.00 N ATOM 701 CA LEU A 54 -16.426 -1.925 9.359 1.00 0.00 C ATOM 702 C LEU A 54 -17.534 -0.912 9.016 1.00 0.00 C ATOM 703 O LEU A 54 -17.705 0.079 9.697 1.00 0.00 O ATOM 704 CB LEU A 54 -16.970 -2.969 10.341 1.00 0.00 C ATOM 705 CG LEU A 54 -18.161 -3.693 9.708 1.00 0.00 C ATOM 706 CD1 LEU A 54 -17.768 -5.138 9.392 1.00 0.00 C ATOM 707 CD2 LEU A 54 -19.338 -3.686 10.684 1.00 0.00 C ATOM 0 H LEU A 54 -15.499 -0.537 10.695 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.100 -2.421 8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.189 -3.685 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -17.276 -2.486 11.269 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.450 -3.185 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.615 -5.655 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.928 -5.143 8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -17.481 -5.646 10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -20.187 -4.201 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -19.051 -4.195 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -19.617 -2.657 10.910 1.00 0.00 H new ATOM 719 N VAL A 55 -18.296 -1.154 7.974 1.00 0.00 N ATOM 720 CA VAL A 55 -19.387 -0.227 7.595 1.00 0.00 C ATOM 721 C VAL A 55 -20.276 -1.035 6.662 1.00 0.00 C ATOM 722 O VAL A 55 -20.251 -0.824 5.466 1.00 0.00 O ATOM 723 CB VAL A 55 -18.807 0.971 6.839 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.896 1.773 7.771 1.00 0.00 C ATOM 725 CG2 VAL A 55 -18.001 0.471 5.641 1.00 0.00 C ATOM 0 H VAL A 55 -18.199 -1.969 7.368 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.928 0.154 8.461 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.619 1.610 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.484 2.626 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.472 2.128 8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.083 1.137 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.587 1.322 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.189 -0.168 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -18.651 -0.099 4.977 1.00 0.00 H new ATOM 735 N SER A 56 -20.987 -2.025 7.186 1.00 0.00 N ATOM 736 CA SER A 56 -21.798 -2.921 6.323 1.00 0.00 C ATOM 737 C SER A 56 -20.900 -4.115 6.005 1.00 0.00 C ATOM 738 O SER A 56 -21.271 -5.259 6.172 1.00 0.00 O ATOM 739 CB SER A 56 -22.195 -2.202 5.047 1.00 0.00 C ATOM 740 OG SER A 56 -23.395 -2.758 4.529 1.00 0.00 O ATOM 0 H SER A 56 -21.029 -2.238 8.183 1.00 0.00 H new ATOM 0 HA SER A 56 -22.718 -3.233 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.333 -1.139 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.397 -2.286 4.309 1.00 0.00 H new ATOM 0 HG SER A 56 -23.177 -3.434 3.853 1.00 0.00 H new ATOM 746 N GLY A 57 -19.694 -3.833 5.580 1.00 0.00 N ATOM 747 CA GLY A 57 -18.716 -4.902 5.282 1.00 0.00 C ATOM 748 C GLY A 57 -17.404 -4.571 6.002 1.00 0.00 C ATOM 749 O GLY A 57 -17.412 -3.875 7.001 1.00 0.00 O ATOM 0 H GLY A 57 -19.348 -2.886 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.097 -5.868 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.551 -4.976 4.207 1.00 0.00 H new ATOM 753 N ILE A 58 -16.266 -5.029 5.512 1.00 0.00 N ATOM 754 CA ILE A 58 -14.999 -4.677 6.224 1.00 0.00 C ATOM 755 C ILE A 58 -14.125 -3.797 5.325 1.00 0.00 C ATOM 756 O ILE A 58 -14.246 -3.809 4.118 1.00 0.00 O ATOM 757 CB ILE A 58 -14.215 -5.943 6.607 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.145 -7.159 6.608 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.616 -5.757 8.004 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.306 -8.437 6.652 1.00 0.00 C ATOM 0 H ILE A 58 -16.166 -5.610 4.680 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.260 -4.136 7.134 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.420 -6.108 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.813 -7.119 7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.772 -7.152 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.058 -6.651 8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.946 -4.897 8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.417 -5.590 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.965 -9.305 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.656 -8.476 5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.698 -8.442 7.557 1.00 0.00 H new ATOM 772 N LYS A 59 -13.242 -3.036 5.916 1.00 0.00 N ATOM 773 CA LYS A 59 -12.347 -2.152 5.112 1.00 0.00 C ATOM 774 C LYS A 59 -10.959 -2.145 5.757 1.00 0.00 C ATOM 775 O LYS A 59 -10.831 -2.087 6.960 1.00 0.00 O ATOM 776 CB LYS A 59 -12.914 -0.727 5.096 1.00 0.00 C ATOM 777 CG LYS A 59 -12.044 0.164 4.204 1.00 0.00 C ATOM 778 CD LYS A 59 -12.496 1.620 4.338 1.00 0.00 C ATOM 779 CE LYS A 59 -12.154 2.136 5.737 1.00 0.00 C ATOM 780 NZ LYS A 59 -12.710 3.509 5.910 1.00 0.00 N ATOM 0 H LYS A 59 -13.101 -2.988 6.925 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.280 -2.520 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.939 -0.737 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.944 -0.326 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.996 0.070 4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.121 -0.157 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.006 2.235 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.569 1.696 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.565 1.468 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.073 2.149 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.478 3.860 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.297 4.143 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.743 3.482 5.794 1.00 0.00 H new ATOM 794 N TYR A 60 -9.916 -2.213 4.978 1.00 0.00 N ATOM 795 CA TYR A 60 -8.554 -2.216 5.574 1.00 0.00 C ATOM 796 C TYR A 60 -7.910 -0.843 5.398 1.00 0.00 C ATOM 797 O TYR A 60 -8.174 -0.136 4.446 1.00 0.00 O ATOM 798 CB TYR A 60 -7.696 -3.277 4.881 1.00 0.00 C ATOM 799 CG TYR A 60 -8.317 -4.637 5.091 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.934 -4.945 6.309 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.277 -5.591 4.066 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.512 -6.205 6.503 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.854 -6.852 4.261 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.472 -7.159 5.478 1.00 0.00 C ATOM 805 OH TYR A 60 -10.042 -8.401 5.669 1.00 0.00 O ATOM 0 H TYR A 60 -9.948 -2.266 3.960 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.627 -2.444 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.620 -3.060 3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.683 -3.261 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.964 -4.210 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.801 -5.354 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.989 -6.442 7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.822 -7.588 3.471 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.927 -8.942 4.860 1.00 0.00 H new ATOM 815 N ILE A 61 -7.061 -0.466 6.308 1.00 0.00 N ATOM 816 CA ILE A 61 -6.380 0.852 6.207 1.00 0.00 C ATOM 817 C ILE A 61 -4.941 0.688 6.695 1.00 0.00 C ATOM 818 O ILE A 61 -4.679 0.602 7.880 1.00 0.00 O ATOM 819 CB ILE A 61 -7.114 1.888 7.072 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.389 1.306 8.462 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.447 2.262 6.413 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.623 2.447 9.454 1.00 0.00 C ATOM 0 H ILE A 61 -6.807 -1.020 7.126 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.386 1.199 5.174 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.488 2.776 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.262 0.654 8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.546 0.695 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.964 2.997 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.259 2.684 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.067 1.371 6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.819 2.034 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.738 3.082 9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.479 3.039 9.132 1.00 0.00 H new ATOM 834 N LEU A 62 -4.006 0.617 5.789 1.00 0.00 N ATOM 835 CA LEU A 62 -2.594 0.433 6.203 1.00 0.00 C ATOM 836 C LEU A 62 -1.822 1.740 5.983 1.00 0.00 C ATOM 837 O LEU A 62 -2.183 2.549 5.154 1.00 0.00 O ATOM 838 CB LEU A 62 -2.006 -0.730 5.375 1.00 0.00 C ATOM 839 CG LEU A 62 -0.910 -0.258 4.433 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.421 -0.267 5.188 1.00 0.00 C ATOM 841 CD2 LEU A 62 -0.842 -1.217 3.255 1.00 0.00 C ATOM 0 H LEU A 62 -4.161 0.679 4.783 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.519 0.187 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.605 -1.488 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.801 -1.204 4.799 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.116 0.750 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.218 0.070 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.357 0.402 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.638 -1.279 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.060 -0.894 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.616 -2.221 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.801 -1.225 2.736 1.00 0.00 H new ATOM 853 N GLN A 63 -0.748 1.925 6.702 1.00 0.00 N ATOM 854 CA GLN A 63 0.080 3.157 6.531 1.00 0.00 C ATOM 855 C GLN A 63 1.484 2.730 6.135 1.00 0.00 C ATOM 856 O GLN A 63 2.260 2.277 6.945 1.00 0.00 O ATOM 857 CB GLN A 63 0.125 3.942 7.830 1.00 0.00 C ATOM 858 CG GLN A 63 -0.033 5.434 7.535 1.00 0.00 C ATOM 859 CD GLN A 63 0.095 6.225 8.839 1.00 0.00 C ATOM 860 OE1 GLN A 63 0.956 5.947 9.650 1.00 0.00 O ATOM 861 NE2 GLN A 63 -0.733 7.206 9.078 1.00 0.00 N ATOM 0 H GLN A 63 -0.405 1.272 7.406 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.353 3.796 5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.670 3.607 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.069 3.761 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.727 5.758 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.002 5.625 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.456 7.440 8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.657 7.738 9.945 1.00 0.00 H new ATOM 870 N VAL A 64 1.796 2.834 4.884 1.00 0.00 N ATOM 871 CA VAL A 64 3.116 2.400 4.397 1.00 0.00 C ATOM 872 C VAL A 64 4.080 3.582 4.329 1.00 0.00 C ATOM 873 O VAL A 64 3.687 4.707 4.128 1.00 0.00 O ATOM 874 CB VAL A 64 2.916 1.835 2.989 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.655 0.973 2.947 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.772 2.978 1.978 1.00 0.00 C ATOM 0 H VAL A 64 1.177 3.210 4.165 1.00 0.00 H new ATOM 0 HA VAL A 64 3.537 1.655 5.072 1.00 0.00 H new ATOM 0 HB VAL A 64 3.784 1.228 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.520 0.575 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.754 0.149 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.790 1.580 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.630 2.565 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.911 3.591 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.673 3.592 1.992 1.00 0.00 H new ATOM 886 N GLU A 65 5.344 3.320 4.443 1.00 0.00 N ATOM 887 CA GLU A 65 6.338 4.413 4.325 1.00 0.00 C ATOM 888 C GLU A 65 7.089 4.170 3.021 1.00 0.00 C ATOM 889 O GLU A 65 8.151 3.578 3.001 1.00 0.00 O ATOM 890 CB GLU A 65 7.309 4.379 5.505 1.00 0.00 C ATOM 891 CG GLU A 65 8.392 5.438 5.300 1.00 0.00 C ATOM 892 CD GLU A 65 9.369 5.409 6.476 1.00 0.00 C ATOM 893 OE1 GLU A 65 8.981 5.831 7.552 1.00 0.00 O ATOM 894 OE2 GLU A 65 10.489 4.966 6.280 1.00 0.00 O ATOM 0 H GLU A 65 5.734 2.393 4.613 1.00 0.00 H new ATOM 0 HA GLU A 65 5.852 5.389 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.774 4.565 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.762 3.391 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.925 5.252 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.938 6.425 5.216 1.00 0.00 H new ATOM 901 N ILE A 66 6.524 4.592 1.926 1.00 0.00 N ATOM 902 CA ILE A 66 7.184 4.354 0.612 1.00 0.00 C ATOM 903 C ILE A 66 8.115 5.519 0.284 1.00 0.00 C ATOM 904 O ILE A 66 7.742 6.668 0.391 1.00 0.00 O ATOM 905 CB ILE A 66 6.129 4.218 -0.494 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.951 5.158 -0.220 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.626 2.775 -0.542 1.00 0.00 C ATOM 908 CD1 ILE A 66 4.007 5.156 -1.423 1.00 0.00 C ATOM 0 H ILE A 66 5.635 5.091 1.883 1.00 0.00 H new ATOM 0 HA ILE A 66 7.760 3.431 0.671 1.00 0.00 H new ATOM 0 HB ILE A 66 6.581 4.484 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.417 4.838 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.314 6.168 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.876 2.677 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.460 2.106 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.182 2.512 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.168 5.825 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.545 5.496 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.634 4.146 -1.591 1.00 0.00 H new ATOM 920 N GLY A 67 9.320 5.234 -0.128 1.00 0.00 N ATOM 921 CA GLY A 67 10.258 6.328 -0.470 1.00 0.00 C ATOM 922 C GLY A 67 10.355 6.424 -1.989 1.00 0.00 C ATOM 923 O GLY A 67 9.823 5.591 -2.715 1.00 0.00 O ATOM 0 H GLY A 67 9.691 4.290 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.908 7.272 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.240 6.134 -0.039 1.00 0.00 H new ATOM 927 N ARG A 68 11.020 7.427 -2.488 1.00 0.00 N ATOM 928 CA ARG A 68 11.128 7.558 -3.959 1.00 0.00 C ATOM 929 C ARG A 68 12.579 7.312 -4.390 1.00 0.00 C ATOM 930 O ARG A 68 13.488 7.640 -3.664 1.00 0.00 O ATOM 931 CB ARG A 68 10.692 8.962 -4.383 1.00 0.00 C ATOM 932 CG ARG A 68 9.266 9.225 -3.897 1.00 0.00 C ATOM 933 CD ARG A 68 9.164 10.660 -3.379 1.00 0.00 C ATOM 934 NE ARG A 68 9.169 11.603 -4.533 1.00 0.00 N ATOM 935 CZ ARG A 68 8.357 11.410 -5.534 1.00 0.00 C ATOM 936 NH1 ARG A 68 7.106 11.118 -5.309 1.00 0.00 N ATOM 937 NH2 ARG A 68 8.796 11.508 -6.760 1.00 0.00 N ATOM 0 H ARG A 68 11.488 8.153 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 68 10.481 6.823 -4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.372 9.706 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.741 9.057 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.558 9.069 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.004 8.522 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.251 10.784 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.999 10.878 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 68 9.807 12.399 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.765 11.041 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.469 10.967 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.775 11.736 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.160 11.357 -7.543 1.00 0.00 H new ATOM 951 N THR A 69 12.817 6.725 -5.552 1.00 0.00 N ATOM 952 CA THR A 69 14.252 6.461 -5.968 1.00 0.00 C ATOM 953 C THR A 69 14.571 7.009 -7.387 1.00 0.00 C ATOM 954 O THR A 69 13.737 7.596 -8.048 1.00 0.00 O ATOM 955 CB THR A 69 14.529 4.949 -5.948 1.00 0.00 C ATOM 956 OG1 THR A 69 15.349 4.596 -7.054 1.00 0.00 O ATOM 957 CG2 THR A 69 13.214 4.172 -6.029 1.00 0.00 C ATOM 0 H THR A 69 12.104 6.424 -6.216 1.00 0.00 H new ATOM 0 HA THR A 69 14.891 6.982 -5.255 1.00 0.00 H new ATOM 0 HB THR A 69 15.039 4.699 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.525 3.632 -7.037 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.422 3.102 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.585 4.431 -5.177 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.696 4.428 -6.953 1.00 0.00 H new ATOM 965 N THR A 70 15.795 6.823 -7.857 1.00 0.00 N ATOM 966 CA THR A 70 16.180 7.350 -9.213 1.00 0.00 C ATOM 967 C THR A 70 16.234 6.226 -10.272 1.00 0.00 C ATOM 968 O THR A 70 17.155 6.174 -11.061 1.00 0.00 O ATOM 969 CB THR A 70 17.564 8.000 -9.109 1.00 0.00 C ATOM 970 OG1 THR A 70 17.826 8.741 -10.292 1.00 0.00 O ATOM 971 CG2 THR A 70 18.634 6.922 -8.933 1.00 0.00 C ATOM 0 H THR A 70 16.537 6.331 -7.360 1.00 0.00 H new ATOM 0 HA THR A 70 15.426 8.072 -9.526 1.00 0.00 H new ATOM 0 HB THR A 70 17.585 8.667 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.784 8.144 -11.068 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.615 7.392 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.434 6.356 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.617 6.249 -9.790 1.00 0.00 H new ATOM 1123 N GLU A 82 18.749 3.882 -5.816 1.00 0.00 N ATOM 1124 CA GLU A 82 18.418 4.121 -4.384 1.00 0.00 C ATOM 1125 C GLU A 82 17.354 5.224 -4.296 1.00 0.00 C ATOM 1126 O GLU A 82 17.071 5.907 -5.273 1.00 0.00 O ATOM 1127 CB GLU A 82 19.690 4.559 -3.636 1.00 0.00 C ATOM 1128 CG GLU A 82 20.924 3.933 -4.294 1.00 0.00 C ATOM 1129 CD GLU A 82 21.281 4.711 -5.561 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.803 5.824 -5.704 1.00 0.00 O ATOM 1131 OE2 GLU A 82 22.029 4.181 -6.367 1.00 0.00 O ATOM 0 HA GLU A 82 18.033 3.208 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.773 5.646 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.631 4.255 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.764 3.944 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.728 2.889 -4.539 1.00 0.00 H new ATOM 1138 N PHE A 83 16.751 5.402 -3.142 1.00 0.00 N ATOM 1139 CA PHE A 83 15.702 6.465 -3.004 1.00 0.00 C ATOM 1140 C PHE A 83 16.232 7.781 -3.592 1.00 0.00 C ATOM 1141 O PHE A 83 15.483 8.666 -3.953 1.00 0.00 O ATOM 1142 CB PHE A 83 15.329 6.703 -1.528 1.00 0.00 C ATOM 1143 CG PHE A 83 14.732 5.438 -0.934 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.559 4.394 -0.498 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.337 5.311 -0.814 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.999 3.233 0.050 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.780 4.152 -0.264 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.610 3.111 0.168 1.00 0.00 C ATOM 0 H PHE A 83 16.938 4.862 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 83 14.813 6.130 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.214 6.998 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.615 7.523 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.632 4.485 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.693 6.111 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.641 2.430 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.708 4.060 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.179 2.216 0.591 1.00 0.00 H new ATOM 1158 N HIS A 84 17.520 7.911 -3.686 1.00 0.00 N ATOM 1159 CA HIS A 84 18.124 9.157 -4.242 1.00 0.00 C ATOM 1160 C HIS A 84 19.628 9.144 -3.959 1.00 0.00 C ATOM 1161 O HIS A 84 20.208 8.110 -3.691 1.00 0.00 O ATOM 1162 CB HIS A 84 17.498 10.392 -3.577 1.00 0.00 C ATOM 1163 CG HIS A 84 17.130 11.400 -4.633 1.00 0.00 C ATOM 1164 ND1 HIS A 84 16.406 11.056 -5.764 1.00 0.00 N ATOM 1165 CD2 HIS A 84 17.376 12.748 -4.741 1.00 0.00 C ATOM 1166 CE1 HIS A 84 16.245 12.174 -6.497 1.00 0.00 C ATOM 1167 NE2 HIS A 84 16.817 13.232 -5.919 1.00 0.00 N ATOM 0 H HIS A 84 18.193 7.200 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 84 17.939 9.200 -5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.613 10.103 -3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 84 18.200 10.832 -2.869 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.920 13.341 -4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.717 12.210 -7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.839 14.191 -6.267 1.00 0.00 H new ATOM 1258 N LYS A 91 12.989 12.726 2.243 1.00 0.00 N ATOM 1259 CA LYS A 91 12.438 12.226 3.534 1.00 0.00 C ATOM 1260 C LYS A 91 11.474 11.070 3.271 1.00 0.00 C ATOM 1261 O LYS A 91 10.451 10.938 3.913 1.00 0.00 O ATOM 1262 CB LYS A 91 11.701 13.359 4.251 1.00 0.00 C ATOM 1263 CG LYS A 91 12.644 14.023 5.256 1.00 0.00 C ATOM 1264 CD LYS A 91 11.898 15.134 5.998 1.00 0.00 C ATOM 1265 CE LYS A 91 12.739 16.413 5.985 1.00 0.00 C ATOM 1266 NZ LYS A 91 13.973 16.205 6.795 1.00 0.00 N ATOM 0 HA LYS A 91 13.256 11.874 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.348 14.093 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.822 12.969 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.016 13.284 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.511 14.434 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.933 15.316 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.698 14.829 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.004 16.677 4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.162 17.245 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.467 17.112 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.716 15.826 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.598 15.531 6.308 1.00 0.00 H new ATOM 1280 N TYR A 92 11.802 10.234 2.333 1.00 0.00 N ATOM 1281 CA TYR A 92 10.919 9.076 2.015 1.00 0.00 C ATOM 1282 C TYR A 92 9.505 9.586 1.715 1.00 0.00 C ATOM 1283 O TYR A 92 9.295 10.764 1.510 1.00 0.00 O ATOM 1284 CB TYR A 92 10.881 8.114 3.204 1.00 0.00 C ATOM 1285 CG TYR A 92 12.211 7.355 3.295 1.00 0.00 C ATOM 1286 CD1 TYR A 92 13.330 7.950 3.917 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.340 6.059 2.756 1.00 0.00 C ATOM 1288 CE1 TYR A 92 14.546 7.260 3.996 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.561 5.378 2.839 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.660 5.977 3.457 1.00 0.00 C ATOM 1291 OH TYR A 92 15.862 5.301 3.537 1.00 0.00 O ATOM 0 H TYR A 92 12.648 10.300 1.767 1.00 0.00 H new ATOM 0 HA TYR A 92 11.308 8.549 1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.702 8.667 4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.056 7.410 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.248 8.943 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.494 5.589 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.397 7.721 4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.653 4.385 2.423 1.00 0.00 H new ATOM 0 HH TYR A 92 15.771 4.421 3.115 1.00 0.00 H new ATOM 1301 N THR A 93 8.531 8.713 1.682 1.00 0.00 N ATOM 1302 CA THR A 93 7.139 9.164 1.386 1.00 0.00 C ATOM 1303 C THR A 93 6.131 8.307 2.160 1.00 0.00 C ATOM 1304 O THR A 93 6.220 7.092 2.196 1.00 0.00 O ATOM 1305 CB THR A 93 6.869 9.032 -0.114 1.00 0.00 C ATOM 1306 OG1 THR A 93 8.071 8.671 -0.779 1.00 0.00 O ATOM 1307 CG2 THR A 93 6.361 10.366 -0.662 1.00 0.00 C ATOM 0 H THR A 93 8.639 7.712 1.846 1.00 0.00 H new ATOM 0 HA THR A 93 7.031 10.205 1.691 1.00 0.00 H new ATOM 0 HB THR A 93 6.115 8.263 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.097 7.699 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.169 10.271 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.439 10.642 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.113 11.138 -0.496 1.00 0.00 H new ATOM 1315 N THR A 94 5.169 8.936 2.779 1.00 0.00 N ATOM 1316 CA THR A 94 4.146 8.178 3.552 1.00 0.00 C ATOM 1317 C THR A 94 2.913 7.930 2.668 1.00 0.00 C ATOM 1318 O THR A 94 2.599 8.717 1.797 1.00 0.00 O ATOM 1319 CB THR A 94 3.748 8.999 4.789 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.092 8.155 5.725 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.810 10.135 4.380 1.00 0.00 C ATOM 0 H THR A 94 5.048 9.949 2.782 1.00 0.00 H new ATOM 0 HA THR A 94 4.554 7.217 3.867 1.00 0.00 H new ATOM 0 HB THR A 94 4.644 9.422 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.839 8.677 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.532 10.713 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.315 10.784 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.913 9.719 3.921 1.00 0.00 H new ATOM 1329 N CYS A 95 2.208 6.849 2.887 1.00 0.00 N ATOM 1330 CA CYS A 95 0.995 6.566 2.060 1.00 0.00 C ATOM 1331 C CYS A 95 0.073 5.656 2.873 1.00 0.00 C ATOM 1332 O CYS A 95 0.495 5.057 3.839 1.00 0.00 O ATOM 1333 CB CYS A 95 1.400 5.858 0.755 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.076 5.545 -0.246 1.00 0.00 S ATOM 0 H CYS A 95 2.419 6.152 3.601 1.00 0.00 H new ATOM 0 HA CYS A 95 0.488 7.497 1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.106 6.475 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.906 4.919 0.980 1.00 0.00 H new ATOM 1339 N THR A 96 -1.177 5.541 2.515 1.00 0.00 N ATOM 1340 CA THR A 96 -2.072 4.656 3.312 1.00 0.00 C ATOM 1341 C THR A 96 -2.982 3.865 2.376 1.00 0.00 C ATOM 1342 O THR A 96 -3.705 4.424 1.588 1.00 0.00 O ATOM 1343 CB THR A 96 -2.921 5.507 4.259 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.068 6.267 5.105 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.806 4.596 5.112 1.00 0.00 C ATOM 0 H THR A 96 -1.611 6.012 1.721 1.00 0.00 H new ATOM 0 HA THR A 96 -1.467 3.961 3.894 1.00 0.00 H new ATOM 0 HB THR A 96 -3.550 6.180 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.611 6.814 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.410 5.203 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.460 4.013 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.179 3.922 5.695 1.00 0.00 H new ATOM 1353 N PHE A 97 -2.956 2.562 2.454 1.00 0.00 N ATOM 1354 CA PHE A 97 -3.838 1.764 1.542 1.00 0.00 C ATOM 1355 C PHE A 97 -5.224 1.615 2.160 1.00 0.00 C ATOM 1356 O PHE A 97 -5.366 1.445 3.352 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.268 0.358 1.305 1.00 0.00 C ATOM 1358 CG PHE A 97 -1.859 0.425 0.762 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.256 1.658 0.482 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.158 -0.763 0.532 1.00 0.00 C ATOM 1361 CE1 PHE A 97 0.049 1.697 -0.024 1.00 0.00 C ATOM 1362 CE2 PHE A 97 0.142 -0.725 0.024 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.748 0.506 -0.254 1.00 0.00 C ATOM 0 H PHE A 97 -2.376 2.020 3.095 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.894 2.296 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.274 -0.202 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.905 -0.183 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.797 2.577 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.624 -1.713 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.517 2.647 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.680 -1.645 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.754 0.537 -0.646 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.253 1.650 1.362 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.615 1.476 1.925 1.00 0.00 C ATOM 1375 C VAL A 98 -8.307 0.370 1.124 1.00 0.00 C ATOM 1376 O VAL A 98 -8.724 0.576 0.002 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.400 2.786 1.807 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -9.893 2.513 2.004 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -7.916 3.767 2.878 1.00 0.00 C ATOM 0 H VAL A 98 -6.209 1.790 0.353 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.565 1.207 2.980 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.240 3.215 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.448 3.447 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.239 1.815 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.057 2.082 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.474 4.700 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.076 3.335 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.854 3.966 2.736 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.403 -0.811 1.673 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.035 -1.926 0.914 1.00 0.00 C ATOM 1391 C VAL A 99 -10.500 -2.085 1.314 1.00 0.00 C ATOM 1392 O VAL A 99 -10.939 -1.597 2.332 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.288 -3.227 1.217 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.592 -4.254 0.124 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.782 -2.954 1.255 1.00 0.00 C ATOM 0 H VAL A 99 -8.073 -1.050 2.608 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.983 -1.700 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.611 -3.616 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.061 -5.181 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.664 -4.448 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.268 -3.865 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.250 -3.880 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.458 -2.566 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.565 -2.221 2.032 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.256 -2.785 0.519 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.685 -3.011 0.840 1.00 0.00 C ATOM 1407 C TYR A 100 -12.920 -4.520 0.841 1.00 0.00 C ATOM 1408 O TYR A 100 -12.231 -5.248 0.153 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.546 -2.344 -0.222 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.828 -1.789 0.440 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -14.742 -0.881 1.521 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.112 -2.177 -0.015 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -15.903 -0.377 2.118 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.263 -1.665 0.594 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.159 -0.765 1.656 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.298 -0.264 2.249 1.00 0.00 O ATOM 0 H TYR A 100 -10.938 -3.214 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.945 -2.589 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.992 -1.538 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.805 -3.061 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.774 -0.575 1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.203 -2.872 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.825 0.317 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.237 -1.968 0.240 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.089 -0.636 1.805 1.00 0.00 H new ATOM 1426 N SER A 101 -13.850 -5.022 1.603 1.00 0.00 N ATOM 1427 CA SER A 101 -14.038 -6.497 1.598 1.00 0.00 C ATOM 1428 C SER A 101 -15.442 -6.881 2.049 1.00 0.00 C ATOM 1429 O SER A 101 -15.727 -6.953 3.228 1.00 0.00 O ATOM 1430 CB SER A 101 -13.018 -7.136 2.542 1.00 0.00 C ATOM 1431 OG SER A 101 -13.216 -8.543 2.570 1.00 0.00 O ATOM 0 H SER A 101 -14.472 -4.492 2.213 1.00 0.00 H new ATOM 0 HA SER A 101 -13.895 -6.855 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.005 -6.907 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.126 -6.723 3.545 1.00 0.00 H new ATOM 0 HG SER A 101 -12.562 -8.953 3.173 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.316 -7.164 1.122 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.681 -7.586 1.517 1.00 0.00 C ATOM 1439 C ILE A 102 -18.353 -8.294 0.330 1.00 0.00 C ATOM 1440 O ILE A 102 -18.944 -7.645 -0.511 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.538 -6.390 1.932 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.656 -5.152 2.132 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -19.269 -6.743 3.244 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.530 -3.897 2.132 1.00 0.00 C ATOM 0 H ILE A 102 -16.142 -7.121 0.118 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.595 -8.260 2.370 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.266 -6.166 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.111 -5.229 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.912 -5.090 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.886 -5.900 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.902 -7.616 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -18.537 -6.963 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -17.903 -3.017 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -19.054 -3.819 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.257 -3.960 2.942 1.00 0.00 H new ATOM 1456 N PRO A 103 -18.249 -9.601 0.292 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.851 -10.436 -0.787 1.00 0.00 C ATOM 1458 C PRO A 103 -20.317 -10.730 -0.436 1.00 0.00 C ATOM 1459 O PRO A 103 -21.068 -11.261 -1.231 1.00 0.00 O ATOM 1460 CB PRO A 103 -18.001 -11.702 -0.747 1.00 0.00 C ATOM 1461 CG PRO A 103 -17.394 -11.799 0.648 1.00 0.00 C ATOM 1462 CD PRO A 103 -17.539 -10.428 1.320 1.00 0.00 C ATOM 0 HA PRO A 103 -18.857 -9.971 -1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.610 -12.580 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.218 -11.663 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.901 -12.566 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -16.344 -12.086 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.111 -10.494 2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.568 -10.003 1.575 1.00 0.00 H new ATOM 1470 N TRP A 104 -20.710 -10.409 0.775 1.00 0.00 N ATOM 1471 CA TRP A 104 -22.130 -10.693 1.218 1.00 0.00 C ATOM 1472 C TRP A 104 -23.165 -9.770 0.557 1.00 0.00 C ATOM 1473 O TRP A 104 -24.351 -10.022 0.637 1.00 0.00 O ATOM 1474 CB TRP A 104 -22.258 -10.604 2.756 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.707 -9.245 3.260 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -23.537 -9.108 4.316 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -22.389 -7.860 2.829 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.733 -7.774 4.575 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -23.060 -6.967 3.700 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.611 -7.282 1.806 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.958 -5.582 3.573 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.512 -5.876 1.675 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.182 -5.033 2.560 1.00 0.00 C ATOM 0 H TRP A 104 -20.119 -9.965 1.478 1.00 0.00 H new ATOM 0 HA TRP A 104 -22.348 -11.710 0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -22.967 -11.359 3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -21.295 -10.847 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.979 -9.922 4.871 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -24.316 -7.424 5.335 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -21.083 -7.920 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.482 -4.936 4.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.912 -5.453 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.098 -3.961 2.459 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.761 -8.716 -0.086 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.744 -7.828 -0.716 1.00 0.00 C ATOM 1496 C LEU A 105 -23.045 -7.015 -1.818 1.00 0.00 C ATOM 1497 O LEU A 105 -23.507 -5.957 -2.197 1.00 0.00 O ATOM 1498 CB LEU A 105 -24.306 -6.874 0.336 1.00 0.00 C ATOM 1499 CG LEU A 105 -25.111 -7.627 1.413 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -25.618 -6.622 2.436 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -26.297 -8.342 0.764 1.00 0.00 C ATOM 0 H LEU A 105 -21.786 -8.438 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.555 -8.415 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.488 -6.329 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.946 -6.135 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.476 -8.366 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -26.190 -7.142 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.771 -6.113 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -26.257 -5.890 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.864 -8.873 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.941 -7.610 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.932 -9.053 0.023 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.942 -7.504 -2.349 1.00 0.00 N ATOM 1514 CA ASN A 106 -21.239 -6.768 -3.422 1.00 0.00 C ATOM 1515 C ASN A 106 -19.977 -7.524 -3.817 1.00 0.00 C ATOM 1516 O ASN A 106 -19.976 -8.293 -4.755 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.902 -5.323 -2.988 1.00 0.00 C ATOM 1518 CG ASN A 106 -20.496 -4.513 -4.221 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.385 -4.803 -4.843 1.00 0.00 O flip ATOM 1520 ND2 ASN A 106 -21.197 -3.608 -4.624 1.00 0.00 N flip ATOM 0 H ASN A 106 -21.508 -8.385 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 106 -21.900 -6.699 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.764 -4.865 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.092 -5.328 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -22.065 -3.381 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.918 -3.075 -5.448 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.926 -7.309 -3.097 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.618 -7.997 -3.394 1.00 0.00 C ATOM 1529 C GLN A 107 -16.468 -7.323 -2.631 1.00 0.00 C ATOM 1530 O GLN A 107 -16.666 -6.450 -1.804 1.00 0.00 O ATOM 1531 CB GLN A 107 -17.315 -7.903 -4.897 1.00 0.00 C ATOM 1532 CG GLN A 107 -16.482 -9.113 -5.329 1.00 0.00 C ATOM 1533 CD GLN A 107 -17.109 -9.746 -6.573 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -17.324 -10.940 -6.619 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -17.412 -8.990 -7.593 1.00 0.00 N ATOM 0 H GLN A 107 -18.900 -6.677 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.703 -9.039 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.245 -7.868 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.775 -6.981 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.458 -8.806 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.435 -9.843 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.232 -7.987 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.829 -9.402 -8.428 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.260 -7.723 -2.926 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.071 -7.105 -2.272 1.00 0.00 C ATOM 1546 C ILE A 108 -13.498 -6.072 -3.247 1.00 0.00 C ATOM 1547 O ILE A 108 -13.643 -6.208 -4.445 1.00 0.00 O ATOM 1548 CB ILE A 108 -13.019 -8.179 -1.976 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.899 -7.582 -1.122 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.428 -8.693 -3.290 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.749 -8.587 -1.013 1.00 0.00 C ATOM 0 H ILE A 108 -15.045 -8.459 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.352 -6.634 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.490 -9.002 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.543 -6.653 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.276 -7.336 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.680 -9.457 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.221 -9.122 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.961 -7.867 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.951 -8.162 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.110 -9.504 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.366 -8.811 -2.009 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.869 -5.033 -2.768 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.334 -4.016 -3.719 1.00 0.00 C ATOM 1565 C LYS A 109 -11.035 -3.392 -3.196 1.00 0.00 C ATOM 1566 O LYS A 109 -10.478 -3.812 -2.203 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.377 -2.916 -3.908 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.407 -3.366 -4.945 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.898 -2.151 -5.737 1.00 0.00 C ATOM 1570 CE LYS A 109 -16.325 -1.805 -5.306 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.524 -0.331 -5.391 1.00 0.00 N ATOM 0 H LYS A 109 -12.704 -4.846 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.119 -4.510 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.870 -2.700 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.895 -1.994 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.964 -4.098 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.247 -3.855 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.238 -1.300 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.871 -2.365 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.044 -2.318 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.502 -2.149 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.493 -0.094 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.846 0.148 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.371 -0.016 -6.370 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.560 -2.383 -3.880 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.310 -1.691 -3.474 1.00 0.00 C ATOM 1587 C LEU A 110 -9.502 -0.190 -3.715 1.00 0.00 C ATOM 1588 O LEU A 110 -9.148 0.340 -4.748 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.155 -2.211 -4.330 1.00 0.00 C ATOM 1590 CG LEU A 110 -6.822 -1.604 -3.870 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -6.667 -0.198 -4.453 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -6.779 -1.532 -2.342 1.00 0.00 C ATOM 0 H LEU A 110 -10.999 -2.005 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.086 -1.875 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.107 -3.298 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.331 -1.963 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.005 -2.235 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.720 0.230 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.683 -0.252 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.488 0.431 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.830 -1.100 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.599 -0.909 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.878 -2.535 -1.928 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.091 0.486 -2.772 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.350 1.945 -2.923 1.00 0.00 C ATOM 1606 C LEU A 111 -9.149 2.625 -3.571 1.00 0.00 C ATOM 1607 O LEU A 111 -9.217 3.062 -4.702 1.00 0.00 O ATOM 1608 CB LEU A 111 -10.604 2.563 -1.546 1.00 0.00 C ATOM 1609 CG LEU A 111 -11.403 3.859 -1.707 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -12.842 3.526 -2.105 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -11.405 4.623 -0.381 1.00 0.00 C ATOM 0 H LEU A 111 -10.409 0.085 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.225 2.088 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.152 1.862 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.657 2.767 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.945 4.474 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.411 4.449 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.842 2.981 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.301 2.911 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.973 5.546 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.863 4.007 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.380 4.861 -0.096 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.047 2.704 -2.874 1.00 0.00 N ATOM 1624 CA GLU A 112 -6.834 3.358 -3.484 1.00 0.00 C ATOM 1625 C GLU A 112 -5.779 3.635 -2.415 1.00 0.00 C ATOM 1626 O GLU A 112 -6.013 3.476 -1.233 1.00 0.00 O ATOM 1627 CB GLU A 112 -7.197 4.691 -4.176 1.00 0.00 C ATOM 1628 CG GLU A 112 -6.585 4.707 -5.579 1.00 0.00 C ATOM 1629 CD GLU A 112 -6.996 5.991 -6.300 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -8.073 6.008 -6.873 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -6.227 6.939 -6.269 1.00 0.00 O ATOM 0 H GLU A 112 -7.926 2.353 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.439 2.667 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.280 4.801 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.823 5.532 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.499 4.646 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.920 3.837 -6.144 1.00 0.00 H new ATOM 1638 N SER A 113 -4.611 4.054 -2.829 1.00 0.00 N ATOM 1639 CA SER A 113 -3.530 4.353 -1.853 1.00 0.00 C ATOM 1640 C SER A 113 -3.514 5.857 -1.565 1.00 0.00 C ATOM 1641 O SER A 113 -3.029 6.647 -2.350 1.00 0.00 O ATOM 1642 CB SER A 113 -2.192 3.919 -2.438 1.00 0.00 C ATOM 1643 OG SER A 113 -1.356 3.435 -1.398 1.00 0.00 O ATOM 0 H SER A 113 -4.362 4.201 -3.807 1.00 0.00 H new ATOM 0 HA SER A 113 -3.706 3.812 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.345 3.142 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.714 4.759 -2.943 1.00 0.00 H new ATOM 0 HG SER A 113 -1.428 2.459 -1.348 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.054 6.256 -0.447 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.093 7.704 -0.096 1.00 0.00 C ATOM 1651 C LYS A 114 -2.709 8.165 0.396 1.00 0.00 C ATOM 1652 O LYS A 114 -2.353 7.937 1.536 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.113 7.916 1.025 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.495 8.170 0.417 1.00 0.00 C ATOM 1655 CD LYS A 114 -6.940 9.598 0.744 1.00 0.00 C ATOM 1656 CE LYS A 114 -8.457 9.628 0.949 1.00 0.00 C ATOM 1657 NZ LYS A 114 -8.865 10.978 1.429 1.00 0.00 N ATOM 0 H LYS A 114 -4.474 5.635 0.245 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.372 8.280 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.144 7.040 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.816 8.761 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.461 8.026 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.215 7.453 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.434 9.951 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.659 10.272 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.966 9.393 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.752 8.868 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.895 11.000 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.389 11.185 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.596 11.693 0.724 1.00 0.00 H new ATOM 1671 N CYS A 115 -1.921 8.812 -0.433 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.583 9.274 0.036 1.00 0.00 C ATOM 1673 C CYS A 115 -0.411 10.754 -0.302 1.00 0.00 C ATOM 1674 O CYS A 115 -1.130 11.305 -1.114 1.00 0.00 O ATOM 1675 CB CYS A 115 0.551 8.472 -0.624 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.105 7.071 -1.569 1.00 0.00 S ATOM 0 H CYS A 115 -2.147 9.036 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.530 9.121 1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.125 9.123 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.237 8.109 0.141 1.00 0.00 H new ATOM 1681 N GLN A 116 0.535 11.401 0.317 1.00 0.00 N ATOM 1682 CA GLN A 116 0.756 12.848 0.038 1.00 0.00 C ATOM 1683 C GLN A 116 2.242 13.179 0.201 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.071 13.688 1.025 1.00 0.00 C ATOM 1685 CG GLN A 116 0.491 13.518 2.439 1.00 0.00 C ATOM 1686 CD GLN A 116 0.623 14.886 3.107 1.00 0.00 C ATOM 1687 OE1 GLN A 116 0.375 15.903 2.489 1.00 0.00 O ATOM 1688 NE2 GLN A 116 1.004 14.957 4.353 1.00 0.00 N ATOM 0 H GLN A 116 1.166 10.991 1.005 1.00 0.00 H new ATOM 0 HA GLN A 116 0.446 13.075 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.044 14.739 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.115 13.376 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.165 12.877 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.463 13.027 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.212 14.104 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.094 15.866 4.808 1.00 0.00 H new