USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 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 102 THR OG1 : rot 180:sc= 0.769 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -120:sc= -0.288 (180deg=-0.437) USER MOD Set 2.1: A 83 THR OG1 : rot 76:sc= 0.351 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 162:sc= 1.36 (180deg=0.452) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 88:sc= 0.0831 USER MOD Single : A 17 TYR OH : rot 174:sc= 1.1 USER MOD Single : A 18 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-0.82) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 31 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.867 (180deg=0.467) USER MOD Single : A 34 TYR OH : rot 52:sc= 1.83 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 44 GLN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 48 TYR OH : rot 158:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.392 K(o=0.39,f=-2!) USER MOD Single : A 53 GLN : amide:sc= -0.0654 K(o=-0.065,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.31) USER MOD Single : A 55 CYS SG : rot 75:sc= 0.191 USER MOD Single : A 56 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot -76:sc= 0.863 USER MOD Single : A 74 SER OG : rot 29:sc= 0.0646 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 151:sc= 0.993 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 93 GLN : amide:sc= 0.549 K(o=0.55,f=-5.4!) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0183) USER MOD Single : A 97 THR OG1 : rot 150:sc= 0 USER MOD Single : A 99 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 109 GLN : amide:sc= 0.912 K(o=0.91,f=-0.81) USER MOD Single : A 110 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.26) USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= 0.818 (180deg=-0.425) USER MOD Single : A 118 SER OG : rot -45:sc= 1.13 USER MOD Single : A 121 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.06) USER MOD Single : A 129 LYS NZ :NH3+ 163:sc= -0.344! (180deg=-0.688!) USER MOD Single : A 130 SER OG : rot -34:sc= 0.0136 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 -1.037 -22.001 1.396 1.00 0.00 N ATOM 68 CA ALA A 5 -0.533 -20.644 1.303 1.00 0.00 C ATOM 69 C ALA A 5 0.926 -20.606 1.757 1.00 0.00 C ATOM 70 O ALA A 5 1.332 -21.327 2.678 1.00 0.00 O ATOM 71 CB ALA A 5 -1.395 -19.715 2.165 1.00 0.00 C ATOM 0 HA ALA A 5 -0.583 -20.303 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.015 -18.696 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.426 -19.743 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.358 -20.044 3.203 1.00 0.00 H new ATOM 77 N THR A 6 1.708 -19.729 1.135 1.00 0.00 N ATOM 78 CA THR A 6 3.102 -19.470 1.478 1.00 0.00 C ATOM 79 C THR A 6 3.122 -18.812 2.879 1.00 0.00 C ATOM 80 O THR A 6 2.079 -18.357 3.370 1.00 0.00 O ATOM 81 CB THR A 6 3.680 -18.577 0.363 1.00 0.00 C ATOM 82 OG1 THR A 6 3.196 -18.949 -0.916 1.00 0.00 O ATOM 83 CG2 THR A 6 5.207 -18.652 0.271 1.00 0.00 C ATOM 0 H THR A 6 1.379 -19.161 0.354 1.00 0.00 H new ATOM 0 HA THR A 6 3.718 -20.367 1.536 1.00 0.00 H new ATOM 0 HB THR A 6 3.363 -17.570 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.583 -18.359 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.555 -18.002 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.645 -18.329 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.509 -19.679 0.064 1.00 0.00 H new ATOM 91 N LYS A 7 4.275 -18.738 3.548 1.00 0.00 N ATOM 92 CA LYS A 7 4.376 -18.218 4.918 1.00 0.00 C ATOM 93 C LYS A 7 5.369 -17.072 5.002 1.00 0.00 C ATOM 94 O LYS A 7 5.844 -16.583 3.983 1.00 0.00 O ATOM 95 CB LYS A 7 4.677 -19.385 5.883 1.00 0.00 C ATOM 96 CG LYS A 7 3.714 -19.367 7.081 1.00 0.00 C ATOM 97 CD LYS A 7 3.886 -20.615 7.955 1.00 0.00 C ATOM 98 CE LYS A 7 2.647 -20.885 8.818 1.00 0.00 C ATOM 99 NZ LYS A 7 2.381 -19.826 9.811 1.00 0.00 N ATOM 0 H LYS A 7 5.168 -19.037 3.156 1.00 0.00 H new ATOM 0 HA LYS A 7 3.424 -17.785 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.587 -20.333 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.706 -19.314 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.892 -18.474 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.686 -19.310 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.081 -21.479 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.757 -20.490 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.778 -20.991 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.775 -21.835 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.532 -20.070 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.195 -19.739 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.228 -18.921 9.321 1.00 0.00 H new ATOM 113 N ILE A 8 5.599 -16.577 6.213 1.00 0.00 N ATOM 114 CA ILE A 8 6.502 -15.463 6.481 1.00 0.00 C ATOM 115 C ILE A 8 7.234 -15.676 7.804 1.00 0.00 C ATOM 116 O ILE A 8 6.746 -16.417 8.666 1.00 0.00 O ATOM 117 CB ILE A 8 5.726 -14.116 6.535 1.00 0.00 C ATOM 118 CG1 ILE A 8 4.991 -13.794 7.859 1.00 0.00 C ATOM 119 CG2 ILE A 8 4.752 -13.929 5.363 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.863 -14.737 8.298 1.00 0.00 C ATOM 0 H ILE A 8 5.154 -16.946 7.053 1.00 0.00 H new ATOM 0 HA ILE A 8 7.226 -15.421 5.667 1.00 0.00 H new ATOM 0 HB ILE A 8 6.543 -13.398 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.734 -13.766 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.575 -12.790 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.244 -12.970 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.304 -13.952 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.015 -14.732 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.442 -14.387 9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.084 -14.752 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.261 -15.743 8.430 1.00 0.00 H new ATOM 132 N ASP A 9 8.396 -15.050 7.982 1.00 0.00 N ATOM 133 CA ASP A 9 9.129 -15.088 9.244 1.00 0.00 C ATOM 134 C ASP A 9 8.782 -13.740 9.871 1.00 0.00 C ATOM 135 O ASP A 9 9.456 -12.736 9.613 1.00 0.00 O ATOM 136 CB ASP A 9 10.638 -15.289 9.091 1.00 0.00 C ATOM 137 CG ASP A 9 11.211 -15.607 10.475 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.985 -14.823 11.423 1.00 0.00 O ATOM 139 OD2 ASP A 9 11.773 -16.716 10.612 1.00 0.00 O ATOM 0 H ASP A 9 8.855 -14.502 7.254 1.00 0.00 H new ATOM 0 HA ASP A 9 8.846 -15.945 9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.846 -16.102 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.103 -14.392 8.682 1.00 0.00 H new ATOM 144 N LYS A 10 7.650 -13.660 10.588 1.00 0.00 N ATOM 145 CA LYS A 10 7.231 -12.365 11.117 1.00 0.00 C ATOM 146 C LYS A 10 8.204 -11.834 12.157 1.00 0.00 C ATOM 147 O LYS A 10 8.351 -10.623 12.238 1.00 0.00 O ATOM 148 CB LYS A 10 5.757 -12.308 11.564 1.00 0.00 C ATOM 149 CG LYS A 10 5.504 -12.959 12.922 1.00 0.00 C ATOM 150 CD LYS A 10 4.065 -12.751 13.423 1.00 0.00 C ATOM 151 CE LYS A 10 3.973 -13.329 14.839 1.00 0.00 C ATOM 152 NZ LYS A 10 2.666 -13.133 15.499 1.00 0.00 N ATOM 0 H LYS A 10 7.035 -14.444 10.805 1.00 0.00 H new ATOM 0 HA LYS A 10 7.271 -11.675 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.439 -11.266 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.139 -12.801 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.709 -14.027 12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.201 -12.548 13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.811 -11.691 13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.355 -13.247 12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.187 -14.397 14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.748 -12.873 15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.691 -13.553 16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.465 -12.116 15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.921 -13.592 14.937 1.00 0.00 H new ATOM 166 N GLU A 11 8.863 -12.683 12.942 1.00 0.00 N ATOM 167 CA GLU A 11 9.787 -12.223 13.965 1.00 0.00 C ATOM 168 C GLU A 11 11.010 -11.585 13.309 1.00 0.00 C ATOM 169 O GLU A 11 11.392 -10.470 13.679 1.00 0.00 O ATOM 170 CB GLU A 11 10.186 -13.379 14.896 1.00 0.00 C ATOM 171 CG GLU A 11 9.087 -13.740 15.907 1.00 0.00 C ATOM 172 CD GLU A 11 7.831 -14.377 15.305 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.911 -15.095 14.279 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.742 -14.231 15.911 1.00 0.00 O ATOM 0 H GLU A 11 8.771 -13.697 12.885 1.00 0.00 H new ATOM 0 HA GLU A 11 9.294 -11.468 14.577 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.423 -14.257 14.295 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.094 -13.108 15.435 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.505 -14.425 16.644 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.796 -12.836 16.441 1.00 0.00 H new ATOM 181 N ALA A 12 11.638 -12.270 12.351 1.00 0.00 N ATOM 182 CA ALA A 12 12.841 -11.784 11.693 1.00 0.00 C ATOM 183 C ALA A 12 12.509 -10.551 10.861 1.00 0.00 C ATOM 184 O ALA A 12 13.216 -9.546 10.935 1.00 0.00 O ATOM 185 CB ALA A 12 13.460 -12.887 10.826 1.00 0.00 C ATOM 0 H ALA A 12 11.322 -13.179 12.013 1.00 0.00 H new ATOM 0 HA ALA A 12 13.576 -11.504 12.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.359 -12.507 10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.719 -13.740 11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.742 -13.199 10.067 1.00 0.00 H new ATOM 191 N CYS A 13 11.422 -10.594 10.086 1.00 0.00 N ATOM 192 CA CYS A 13 11.094 -9.470 9.226 1.00 0.00 C ATOM 193 C CYS A 13 10.585 -8.280 10.038 1.00 0.00 C ATOM 194 O CYS A 13 10.821 -7.137 9.630 1.00 0.00 O ATOM 195 CB CYS A 13 10.110 -9.902 8.136 1.00 0.00 C ATOM 196 SG CYS A 13 10.833 -11.234 7.144 1.00 0.00 S ATOM 0 H CYS A 13 10.772 -11.379 10.040 1.00 0.00 H new ATOM 0 HA CYS A 13 12.003 -9.134 8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.178 -10.239 8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.866 -9.053 7.498 1.00 0.00 H new ATOM 0 HG CYS A 13 10.571 -12.380 7.699 1.00 0.00 H new ATOM 202 N ARG A 14 9.917 -8.504 11.181 1.00 0.00 N ATOM 203 CA ARG A 14 9.500 -7.397 12.034 1.00 0.00 C ATOM 204 C ARG A 14 10.736 -6.739 12.623 1.00 0.00 C ATOM 205 O ARG A 14 10.671 -5.540 12.848 1.00 0.00 O ATOM 206 CB ARG A 14 8.523 -7.814 13.150 1.00 0.00 C ATOM 207 CG ARG A 14 8.155 -6.626 14.066 1.00 0.00 C ATOM 208 CD ARG A 14 6.980 -6.907 15.010 1.00 0.00 C ATOM 209 NE ARG A 14 5.715 -7.088 14.282 1.00 0.00 N ATOM 210 CZ ARG A 14 5.010 -6.133 13.660 1.00 0.00 C ATOM 211 NH1 ARG A 14 5.344 -4.852 13.737 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.948 -6.467 12.949 1.00 0.00 N ATOM 0 H ARG A 14 9.661 -9.429 11.526 1.00 0.00 H new ATOM 0 HA ARG A 14 8.950 -6.692 11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.616 -8.224 12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.971 -8.608 13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.028 -6.354 14.660 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.911 -5.764 13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.192 -7.802 15.595 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.877 -6.082 15.715 1.00 0.00 H new ATOM 0 HE ARG A 14 5.337 -8.035 14.247 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.159 -4.569 14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.786 -4.149 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.670 -7.446 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.406 -5.746 12.473 1.00 0.00 H new ATOM 226 N ALA A 15 11.830 -7.464 12.890 1.00 0.00 N ATOM 227 CA ALA A 15 13.017 -6.874 13.489 1.00 0.00 C ATOM 228 C ALA A 15 13.487 -5.690 12.645 1.00 0.00 C ATOM 229 O ALA A 15 13.485 -4.565 13.138 1.00 0.00 O ATOM 230 CB ALA A 15 14.121 -7.919 13.692 1.00 0.00 C ATOM 0 H ALA A 15 11.910 -8.462 12.697 1.00 0.00 H new ATOM 0 HA ALA A 15 12.765 -6.501 14.482 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.993 -7.444 14.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.758 -8.708 14.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.397 -8.348 12.729 1.00 0.00 H new ATOM 236 N ALA A 16 13.824 -5.917 11.372 1.00 0.00 N ATOM 237 CA ALA A 16 14.334 -4.838 10.533 1.00 0.00 C ATOM 238 C ALA A 16 13.266 -3.768 10.282 1.00 0.00 C ATOM 239 O ALA A 16 13.570 -2.576 10.278 1.00 0.00 O ATOM 240 CB ALA A 16 14.802 -5.409 9.199 1.00 0.00 C ATOM 0 H ALA A 16 13.753 -6.823 10.909 1.00 0.00 H new ATOM 0 HA ALA A 16 15.168 -4.369 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.183 -4.603 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.593 -6.138 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.965 -5.894 8.697 1.00 0.00 H new ATOM 246 N TYR A 17 12.010 -4.191 10.085 1.00 0.00 N ATOM 247 CA TYR A 17 10.888 -3.276 9.910 1.00 0.00 C ATOM 248 C TYR A 17 10.787 -2.328 11.107 1.00 0.00 C ATOM 249 O TYR A 17 10.541 -1.145 10.919 1.00 0.00 O ATOM 250 CB TYR A 17 9.594 -4.081 9.701 1.00 0.00 C ATOM 251 CG TYR A 17 8.310 -3.272 9.731 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.752 -2.886 10.967 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.694 -2.870 8.531 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.652 -2.014 11.002 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.577 -2.015 8.558 1.00 0.00 C ATOM 256 CZ TYR A 17 6.087 -1.548 9.797 1.00 0.00 C ATOM 257 OH TYR A 17 5.095 -0.623 9.851 1.00 0.00 O ATOM 0 H TYR A 17 11.750 -5.176 10.043 1.00 0.00 H new ATOM 0 HA TYR A 17 11.047 -2.662 9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.657 -4.595 8.742 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.537 -4.850 10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.171 -3.262 11.889 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.081 -3.220 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.240 -1.701 11.950 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.098 -1.718 7.637 1.00 0.00 H new ATOM 0 HH TYR A 17 4.876 -0.324 8.944 1.00 0.00 H new ATOM 267 N ASN A 18 10.973 -2.832 12.330 1.00 0.00 N ATOM 268 CA ASN A 18 10.850 -2.071 13.566 1.00 0.00 C ATOM 269 C ASN A 18 11.878 -0.946 13.598 1.00 0.00 C ATOM 270 O ASN A 18 11.520 0.182 13.926 1.00 0.00 O ATOM 271 CB ASN A 18 11.020 -3.014 14.772 1.00 0.00 C ATOM 272 CG ASN A 18 10.690 -2.378 16.111 1.00 0.00 C ATOM 273 OD1 ASN A 18 10.337 -1.208 16.219 1.00 0.00 O ATOM 274 ND2 ASN A 18 10.687 -3.173 17.165 1.00 0.00 N ATOM 0 H ASN A 18 11.220 -3.809 12.487 1.00 0.00 H new ATOM 0 HA ASN A 18 9.859 -1.619 13.617 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.382 -3.886 14.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.049 -3.372 14.796 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.391 -2.815 18.073 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.981 -4.145 17.071 1.00 0.00 H new ATOM 281 N LEU A 19 13.136 -1.243 13.248 1.00 0.00 N ATOM 282 CA LEU A 19 14.184 -0.241 13.151 1.00 0.00 C ATOM 283 C LEU A 19 13.787 0.816 12.142 1.00 0.00 C ATOM 284 O LEU A 19 13.672 1.978 12.505 1.00 0.00 O ATOM 285 CB LEU A 19 15.537 -0.838 12.733 1.00 0.00 C ATOM 286 CG LEU A 19 16.389 -1.496 13.826 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.715 -2.616 14.622 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.624 -2.067 13.127 1.00 0.00 C ATOM 0 H LEU A 19 13.448 -2.188 13.026 1.00 0.00 H new ATOM 0 HA LEU A 19 14.301 0.192 14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.351 -1.582 11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.129 -0.044 12.278 1.00 0.00 H new ATOM 0 HG LEU A 19 16.604 -0.725 14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.412 -3.005 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.831 -2.224 15.124 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.422 -3.418 13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.268 -2.549 13.862 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.314 -2.799 12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.171 -1.261 12.639 1.00 0.00 H new ATOM 300 N VAL A 20 13.562 0.420 10.889 1.00 0.00 N ATOM 301 CA VAL A 20 13.246 1.375 9.839 1.00 0.00 C ATOM 302 C VAL A 20 11.957 2.136 10.152 1.00 0.00 C ATOM 303 O VAL A 20 11.829 3.267 9.688 1.00 0.00 O ATOM 304 CB VAL A 20 13.272 0.655 8.478 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.538 1.348 7.330 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.733 0.542 8.046 1.00 0.00 C ATOM 0 H VAL A 20 13.594 -0.552 10.582 1.00 0.00 H new ATOM 0 HA VAL A 20 14.005 2.156 9.785 1.00 0.00 H new ATOM 0 HB VAL A 20 12.759 -0.292 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.627 0.746 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.485 1.462 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.978 2.330 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.789 0.035 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 20 15.164 1.539 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.289 -0.029 8.789 1.00 0.00 H new ATOM 316 N ARG A 21 11.025 1.578 10.935 1.00 0.00 N ATOM 317 CA ARG A 21 9.825 2.294 11.336 1.00 0.00 C ATOM 318 C ARG A 21 10.190 3.455 12.255 1.00 0.00 C ATOM 319 O ARG A 21 9.515 4.482 12.173 1.00 0.00 O ATOM 320 CB ARG A 21 8.789 1.374 12.018 1.00 0.00 C ATOM 321 CG ARG A 21 7.523 2.201 12.309 1.00 0.00 C ATOM 322 CD ARG A 21 6.302 1.403 12.767 1.00 0.00 C ATOM 323 NE ARG A 21 5.261 2.215 13.448 1.00 0.00 N ATOM 324 CZ ARG A 21 4.807 3.461 13.216 1.00 0.00 C ATOM 325 NH1 ARG A 21 5.350 4.281 12.322 1.00 0.00 N ATOM 326 NH2 ARG A 21 3.739 3.893 13.876 1.00 0.00 N ATOM 0 H ARG A 21 11.087 0.628 11.301 1.00 0.00 H new ATOM 0 HA ARG A 21 9.360 2.680 10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.550 0.528 11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.196 0.965 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.761 2.938 13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.256 2.753 11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.856 0.915 11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.631 0.614 13.443 1.00 0.00 H new ATOM 0 HE ARG A 21 4.809 1.744 14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.152 3.975 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.965 5.216 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.274 3.283 14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.384 4.835 13.711 1.00 0.00 H new ATOM 340 N ASP A 22 11.148 3.280 13.169 1.00 0.00 N ATOM 341 CA ASP A 22 11.519 4.361 14.070 1.00 0.00 C ATOM 342 C ASP A 22 12.120 5.489 13.237 1.00 0.00 C ATOM 343 O ASP A 22 13.084 5.285 12.503 1.00 0.00 O ATOM 344 CB ASP A 22 12.499 3.889 15.154 1.00 0.00 C ATOM 345 CG ASP A 22 13.039 5.067 15.971 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.293 6.061 16.133 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.202 4.974 16.411 1.00 0.00 O ATOM 0 H ASP A 22 11.670 2.414 13.300 1.00 0.00 H new ATOM 0 HA ASP A 22 10.632 4.716 14.594 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.998 3.184 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.329 3.356 14.689 1.00 0.00 H new ATOM 352 N ASP A 23 11.545 6.684 13.359 1.00 0.00 N ATOM 353 CA ASP A 23 12.021 7.897 12.713 1.00 0.00 C ATOM 354 C ASP A 23 13.458 8.218 13.133 1.00 0.00 C ATOM 355 O ASP A 23 14.208 8.789 12.338 1.00 0.00 O ATOM 356 CB ASP A 23 11.075 9.068 13.031 1.00 0.00 C ATOM 357 CG ASP A 23 9.831 9.091 12.143 1.00 0.00 C ATOM 358 OD1 ASP A 23 8.797 8.464 12.476 1.00 0.00 O ATOM 359 OD2 ASP A 23 9.871 9.778 11.095 1.00 0.00 O ATOM 0 H ASP A 23 10.711 6.835 13.927 1.00 0.00 H new ATOM 0 HA ASP A 23 12.025 7.738 11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.768 9.006 14.075 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.616 10.007 12.913 1.00 0.00 H new ATOM 364 N GLY A 24 13.857 7.822 14.347 1.00 0.00 N ATOM 365 CA GLY A 24 15.171 8.090 14.905 1.00 0.00 C ATOM 366 C GLY A 24 16.216 7.024 14.584 1.00 0.00 C ATOM 367 O GLY A 24 17.395 7.265 14.855 1.00 0.00 O ATOM 0 H GLY A 24 13.254 7.294 14.978 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.523 9.052 14.532 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.082 8.181 15.988 1.00 0.00 H new ATOM 371 N SER A 25 15.848 5.864 14.024 1.00 0.00 N ATOM 372 CA SER A 25 16.843 4.835 13.768 1.00 0.00 C ATOM 373 C SER A 25 17.724 5.306 12.618 1.00 0.00 C ATOM 374 O SER A 25 17.225 5.789 11.597 1.00 0.00 O ATOM 375 CB SER A 25 16.213 3.471 13.454 1.00 0.00 C ATOM 376 OG SER A 25 17.163 2.442 13.683 1.00 0.00 O ATOM 0 H SER A 25 14.895 5.626 13.749 1.00 0.00 H new ATOM 0 HA SER A 25 17.437 4.687 14.670 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.334 3.313 14.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.877 3.445 12.418 1.00 0.00 H new ATOM 0 HG SER A 25 16.718 1.570 13.639 1.00 0.00 H new ATOM 382 N ALA A 26 19.040 5.132 12.768 1.00 0.00 N ATOM 383 CA ALA A 26 19.984 5.454 11.711 1.00 0.00 C ATOM 384 C ALA A 26 19.719 4.590 10.473 1.00 0.00 C ATOM 385 O ALA A 26 20.070 4.992 9.371 1.00 0.00 O ATOM 386 CB ALA A 26 21.418 5.256 12.215 1.00 0.00 C ATOM 0 H ALA A 26 19.471 4.768 13.618 1.00 0.00 H new ATOM 0 HA ALA A 26 19.855 6.498 11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.121 5.499 11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.597 5.910 13.069 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.557 4.218 12.517 1.00 0.00 H new ATOM 392 N VAL A 27 19.132 3.399 10.631 1.00 0.00 N ATOM 393 CA VAL A 27 18.767 2.564 9.499 1.00 0.00 C ATOM 394 C VAL A 27 17.515 3.201 8.892 1.00 0.00 C ATOM 395 O VAL A 27 16.506 3.372 9.587 1.00 0.00 O ATOM 396 CB VAL A 27 18.528 1.114 9.969 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.302 0.181 8.776 1.00 0.00 C ATOM 398 CG2 VAL A 27 19.726 0.571 10.770 1.00 0.00 C ATOM 0 H VAL A 27 18.902 2.997 11.540 1.00 0.00 H new ATOM 0 HA VAL A 27 19.556 2.508 8.749 1.00 0.00 H new ATOM 0 HB VAL A 27 17.643 1.139 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.136 -0.835 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.430 0.514 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.179 0.198 8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.520 -0.452 11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.619 0.586 10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.888 1.194 11.649 1.00 0.00 H new ATOM 408 N ILE A 28 17.566 3.535 7.601 1.00 0.00 N ATOM 409 CA ILE A 28 16.447 4.135 6.890 1.00 0.00 C ATOM 410 C ILE A 28 15.957 3.199 5.783 1.00 0.00 C ATOM 411 O ILE A 28 14.781 3.262 5.428 1.00 0.00 O ATOM 412 CB ILE A 28 16.790 5.559 6.389 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.595 5.609 5.070 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.513 6.385 7.468 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.640 5.802 3.880 1.00 0.00 C ATOM 0 H ILE A 28 18.392 3.394 7.020 1.00 0.00 H new ATOM 0 HA ILE A 28 15.615 4.264 7.583 1.00 0.00 H new ATOM 0 HB ILE A 28 15.818 6.003 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.316 6.426 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.163 4.687 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.736 7.378 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.873 6.476 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.442 5.887 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.214 5.836 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.936 4.971 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.092 6.736 4.001 1.00 0.00 H new ATOM 427 N TRP A 29 16.807 2.307 5.261 1.00 0.00 N ATOM 428 CA TRP A 29 16.426 1.337 4.246 1.00 0.00 C ATOM 429 C TRP A 29 16.782 -0.060 4.729 1.00 0.00 C ATOM 430 O TRP A 29 17.776 -0.259 5.427 1.00 0.00 O ATOM 431 CB TRP A 29 17.072 1.670 2.891 1.00 0.00 C ATOM 432 CG TRP A 29 18.561 1.572 2.801 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.425 2.610 2.846 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.373 0.373 2.599 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.710 2.127 2.728 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.743 0.757 2.618 1.00 0.00 C ATOM 437 CE3 TRP A 29 19.099 -0.999 2.408 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.789 -0.174 2.551 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.141 -1.938 2.280 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.483 -1.533 2.369 1.00 0.00 C ATOM 0 H TRP A 29 17.786 2.243 5.539 1.00 0.00 H new ATOM 0 HA TRP A 29 15.348 1.379 4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.644 1.006 2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.783 2.685 2.620 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.153 3.649 2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.541 2.718 2.723 1.00 0.00 H new ATOM 0 HE3 TRP A 29 18.073 -1.334 2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.816 0.149 2.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.906 -2.979 2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.276 -2.263 2.298 1.00 0.00 H new ATOM 451 N VAL A 30 15.966 -1.024 4.325 1.00 0.00 N ATOM 452 CA VAL A 30 16.065 -2.452 4.589 1.00 0.00 C ATOM 453 C VAL A 30 15.682 -3.177 3.307 1.00 0.00 C ATOM 454 O VAL A 30 15.044 -2.614 2.415 1.00 0.00 O ATOM 455 CB VAL A 30 15.102 -2.796 5.755 1.00 0.00 C ATOM 456 CG1 VAL A 30 14.644 -4.256 5.896 1.00 0.00 C ATOM 457 CG2 VAL A 30 15.710 -2.424 7.113 1.00 0.00 C ATOM 0 H VAL A 30 15.148 -0.808 3.755 1.00 0.00 H new ATOM 0 HA VAL A 30 17.071 -2.754 4.880 1.00 0.00 H new ATOM 0 HB VAL A 30 14.228 -2.206 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.976 -4.347 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.118 -4.561 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.513 -4.897 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.009 -2.679 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.639 -2.975 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.915 -1.354 7.139 1.00 0.00 H new ATOM 467 N THR A 31 16.041 -4.449 3.234 1.00 0.00 N ATOM 468 CA THR A 31 15.691 -5.339 2.149 1.00 0.00 C ATOM 469 C THR A 31 15.073 -6.598 2.759 1.00 0.00 C ATOM 470 O THR A 31 15.243 -6.866 3.955 1.00 0.00 O ATOM 471 CB THR A 31 16.895 -5.620 1.238 1.00 0.00 C ATOM 472 OG1 THR A 31 17.916 -6.245 1.966 1.00 0.00 O ATOM 473 CG2 THR A 31 17.475 -4.367 0.576 1.00 0.00 C ATOM 0 H THR A 31 16.603 -4.901 3.955 1.00 0.00 H new ATOM 0 HA THR A 31 14.955 -4.877 1.491 1.00 0.00 H new ATOM 0 HB THR A 31 16.518 -6.267 0.446 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.309 -5.604 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.322 -4.646 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.709 -3.892 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.808 -3.670 1.345 1.00 0.00 H new ATOM 481 N PHE A 32 14.348 -7.370 1.953 1.00 0.00 N ATOM 482 CA PHE A 32 13.769 -8.639 2.357 1.00 0.00 C ATOM 483 C PHE A 32 14.090 -9.622 1.238 1.00 0.00 C ATOM 484 O PHE A 32 13.788 -9.351 0.071 1.00 0.00 O ATOM 485 CB PHE A 32 12.258 -8.491 2.620 1.00 0.00 C ATOM 486 CG PHE A 32 11.939 -7.653 3.850 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.196 -8.175 5.130 1.00 0.00 C ATOM 488 CD2 PHE A 32 11.450 -6.337 3.729 1.00 0.00 C ATOM 489 CE1 PHE A 32 12.077 -7.361 6.270 1.00 0.00 C ATOM 490 CE2 PHE A 32 11.264 -5.550 4.882 1.00 0.00 C ATOM 491 CZ PHE A 32 11.619 -6.041 6.147 1.00 0.00 C ATOM 0 H PHE A 32 14.146 -7.122 0.984 1.00 0.00 H new ATOM 0 HA PHE A 32 14.184 -9.002 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.787 -8.037 1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.819 -9.481 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.487 -9.209 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.218 -5.933 2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.339 -7.753 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.844 -4.559 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.540 -5.408 7.019 1.00 0.00 H new ATOM 501 N LYS A 33 14.750 -10.734 1.573 1.00 0.00 N ATOM 502 CA LYS A 33 15.053 -11.794 0.626 1.00 0.00 C ATOM 503 C LYS A 33 13.928 -12.816 0.754 1.00 0.00 C ATOM 504 O LYS A 33 13.032 -12.697 1.596 1.00 0.00 O ATOM 505 CB LYS A 33 16.414 -12.472 0.897 1.00 0.00 C ATOM 506 CG LYS A 33 17.618 -11.607 1.301 1.00 0.00 C ATOM 507 CD LYS A 33 18.156 -10.696 0.188 1.00 0.00 C ATOM 508 CE LYS A 33 19.670 -10.519 0.385 1.00 0.00 C ATOM 509 NZ LYS A 33 20.280 -9.530 -0.522 1.00 0.00 N ATOM 0 H LYS A 33 15.089 -10.919 2.517 1.00 0.00 H new ATOM 0 HA LYS A 33 15.124 -11.376 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.261 -13.209 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.692 -13.020 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.334 -10.989 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.422 -12.262 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.951 -11.132 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.655 -9.728 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.859 -10.218 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.160 -11.482 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.309 -9.676 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.885 -9.645 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.077 -8.570 -0.176 1.00 0.00 H new ATOM 523 N TYR A 34 13.980 -13.836 -0.087 1.00 0.00 N ATOM 524 CA TYR A 34 13.050 -14.944 -0.046 1.00 0.00 C ATOM 525 C TYR A 34 13.879 -16.186 0.218 1.00 0.00 C ATOM 526 O TYR A 34 14.989 -16.310 -0.300 1.00 0.00 O ATOM 527 CB TYR A 34 12.316 -15.058 -1.390 1.00 0.00 C ATOM 528 CG TYR A 34 11.205 -14.046 -1.547 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.494 -12.678 -1.707 1.00 0.00 C ATOM 530 CD2 TYR A 34 9.871 -14.467 -1.430 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.458 -11.732 -1.683 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.834 -13.529 -1.435 1.00 0.00 C ATOM 533 CZ TYR A 34 9.118 -12.151 -1.547 1.00 0.00 C ATOM 534 OH TYR A 34 8.111 -11.240 -1.504 1.00 0.00 O ATOM 0 H TYR A 34 14.679 -13.915 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 34 12.295 -14.809 0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.033 -14.930 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.902 -16.061 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.515 -12.356 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.645 -15.519 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.687 -10.680 -1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.810 -13.861 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 34 8.183 -10.636 -2.272 1.00 0.00 H new ATOM 544 N ASP A 35 13.329 -17.099 1.006 1.00 0.00 N ATOM 545 CA ASP A 35 13.916 -18.400 1.316 1.00 0.00 C ATOM 546 C ASP A 35 12.780 -19.418 1.241 1.00 0.00 C ATOM 547 O ASP A 35 11.635 -19.022 1.458 1.00 0.00 O ATOM 548 CB ASP A 35 14.535 -18.377 2.717 1.00 0.00 C ATOM 549 CG ASP A 35 15.105 -19.750 3.060 1.00 0.00 C ATOM 550 OD1 ASP A 35 16.209 -20.078 2.575 1.00 0.00 O ATOM 551 OD2 ASP A 35 14.416 -20.558 3.725 1.00 0.00 O ATOM 0 H ASP A 35 12.430 -16.951 1.464 1.00 0.00 H new ATOM 0 HA ASP A 35 14.711 -18.656 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.323 -17.626 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.781 -18.093 3.452 1.00 0.00 H new ATOM 556 N GLY A 36 13.059 -20.688 0.930 1.00 0.00 N ATOM 557 CA GLY A 36 12.112 -21.805 0.884 1.00 0.00 C ATOM 558 C GLY A 36 10.704 -21.398 0.446 1.00 0.00 C ATOM 559 O GLY A 36 10.452 -21.211 -0.745 1.00 0.00 O ATOM 0 H GLY A 36 14.006 -20.980 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.491 -22.564 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.058 -22.265 1.871 1.00 0.00 H new ATOM 563 N SER A 37 9.802 -21.213 1.412 1.00 0.00 N ATOM 564 CA SER A 37 8.428 -20.746 1.229 1.00 0.00 C ATOM 565 C SER A 37 8.094 -19.640 2.250 1.00 0.00 C ATOM 566 O SER A 37 6.996 -19.602 2.811 1.00 0.00 O ATOM 567 CB SER A 37 7.449 -21.932 1.220 1.00 0.00 C ATOM 568 OG SER A 37 8.036 -23.168 1.613 1.00 0.00 O ATOM 0 H SER A 37 10.022 -21.394 2.391 1.00 0.00 H new ATOM 0 HA SER A 37 8.320 -20.279 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.616 -21.708 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.034 -22.040 0.218 1.00 0.00 H new ATOM 0 HG SER A 37 7.358 -23.875 1.586 1.00 0.00 H new ATOM 574 N THR A 38 9.049 -18.746 2.517 1.00 0.00 N ATOM 575 CA THR A 38 8.914 -17.657 3.469 1.00 0.00 C ATOM 576 C THR A 38 9.604 -16.381 2.966 1.00 0.00 C ATOM 577 O THR A 38 10.228 -16.358 1.899 1.00 0.00 O ATOM 578 CB THR A 38 9.415 -18.160 4.836 1.00 0.00 C ATOM 579 OG1 THR A 38 8.909 -17.394 5.904 1.00 0.00 O ATOM 580 CG2 THR A 38 10.941 -18.150 4.957 1.00 0.00 C ATOM 0 H THR A 38 9.961 -18.766 2.060 1.00 0.00 H new ATOM 0 HA THR A 38 7.871 -17.362 3.584 1.00 0.00 H new ATOM 0 HB THR A 38 9.050 -19.185 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.250 -17.749 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.230 -18.515 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.371 -18.795 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.310 -17.133 4.824 1.00 0.00 H new ATOM 588 N ILE A 39 9.444 -15.315 3.747 1.00 0.00 N ATOM 589 CA ILE A 39 10.056 -14.002 3.575 1.00 0.00 C ATOM 590 C ILE A 39 11.113 -13.919 4.675 1.00 0.00 C ATOM 591 O ILE A 39 10.802 -14.271 5.819 1.00 0.00 O ATOM 592 CB ILE A 39 9.024 -12.860 3.781 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.708 -13.016 2.992 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.655 -11.484 3.491 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.895 -13.079 1.482 1.00 0.00 C ATOM 0 H ILE A 39 8.844 -15.349 4.571 1.00 0.00 H new ATOM 0 HA ILE A 39 10.462 -13.888 2.570 1.00 0.00 H new ATOM 0 HB ILE A 39 8.745 -12.931 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.203 -13.923 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.051 -12.180 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.910 -10.703 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.496 -11.320 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.006 -11.455 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.924 -13.189 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.371 -12.161 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.525 -13.932 1.229 1.00 0.00 H new ATOM 607 N VAL A 40 12.317 -13.442 4.352 1.00 0.00 N ATOM 608 CA VAL A 40 13.388 -13.231 5.336 1.00 0.00 C ATOM 609 C VAL A 40 13.967 -11.812 5.205 1.00 0.00 C ATOM 610 O VAL A 40 13.807 -11.203 4.148 1.00 0.00 O ATOM 611 CB VAL A 40 14.463 -14.327 5.201 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.842 -15.722 5.230 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.269 -14.222 3.912 1.00 0.00 C ATOM 0 H VAL A 40 12.580 -13.190 3.399 1.00 0.00 H new ATOM 0 HA VAL A 40 12.976 -13.312 6.342 1.00 0.00 H new ATOM 0 HB VAL A 40 15.126 -14.173 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.627 -16.472 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.317 -15.867 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.138 -15.824 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.008 -15.022 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.600 -14.311 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.776 -13.258 3.878 1.00 0.00 H new ATOM 623 N PRO A 41 14.619 -11.237 6.232 1.00 0.00 N ATOM 624 CA PRO A 41 15.262 -9.930 6.106 1.00 0.00 C ATOM 625 C PRO A 41 16.536 -10.041 5.254 1.00 0.00 C ATOM 626 O PRO A 41 17.050 -11.135 5.017 1.00 0.00 O ATOM 627 CB PRO A 41 15.555 -9.482 7.541 1.00 0.00 C ATOM 628 CG PRO A 41 15.731 -10.803 8.288 1.00 0.00 C ATOM 629 CD PRO A 41 14.737 -11.734 7.593 1.00 0.00 C ATOM 0 HA PRO A 41 14.632 -9.200 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.452 -8.866 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.737 -8.891 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.752 -11.176 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.509 -10.698 9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.092 -12.765 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.771 -11.724 8.099 1.00 0.00 H new ATOM 637 N GLY A 42 17.053 -8.899 4.809 1.00 0.00 N ATOM 638 CA GLY A 42 18.292 -8.769 4.057 1.00 0.00 C ATOM 639 C GLY A 42 19.141 -7.628 4.615 1.00 0.00 C ATOM 640 O GLY A 42 19.006 -7.250 5.785 1.00 0.00 O ATOM 0 H GLY A 42 16.598 -8.001 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.852 -9.703 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.069 -8.583 3.006 1.00 0.00 H new ATOM 644 N GLU A 43 20.042 -7.108 3.781 1.00 0.00 N ATOM 645 CA GLU A 43 20.902 -5.973 4.077 1.00 0.00 C ATOM 646 C GLU A 43 20.039 -4.754 4.406 1.00 0.00 C ATOM 647 O GLU A 43 18.867 -4.670 4.015 1.00 0.00 O ATOM 648 CB GLU A 43 21.828 -5.634 2.890 1.00 0.00 C ATOM 649 CG GLU A 43 22.649 -6.808 2.318 1.00 0.00 C ATOM 650 CD GLU A 43 21.877 -7.726 1.358 1.00 0.00 C ATOM 651 OE1 GLU A 43 20.667 -7.510 1.106 1.00 0.00 O ATOM 652 OE2 GLU A 43 22.437 -8.732 0.870 1.00 0.00 O ATOM 0 H GLU A 43 20.195 -7.484 2.845 1.00 0.00 H new ATOM 0 HA GLU A 43 21.527 -6.239 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.220 -5.217 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.519 -4.852 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 23.516 -6.406 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 43 23.026 -7.407 3.147 1.00 0.00 H new ATOM 659 N GLN A 44 20.628 -3.794 5.111 1.00 0.00 N ATOM 660 CA GLN A 44 19.969 -2.592 5.583 1.00 0.00 C ATOM 661 C GLN A 44 21.038 -1.523 5.813 1.00 0.00 C ATOM 662 O GLN A 44 22.198 -1.871 6.055 1.00 0.00 O ATOM 663 CB GLN A 44 19.120 -2.949 6.812 1.00 0.00 C ATOM 664 CG GLN A 44 19.804 -3.683 7.978 1.00 0.00 C ATOM 665 CD GLN A 44 18.787 -4.543 8.733 1.00 0.00 C ATOM 666 OE1 GLN A 44 18.258 -4.157 9.769 1.00 0.00 O ATOM 667 NE2 GLN A 44 18.460 -5.725 8.226 1.00 0.00 N ATOM 0 H GLN A 44 21.612 -3.838 5.376 1.00 0.00 H new ATOM 0 HA GLN A 44 19.272 -2.172 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.695 -2.025 7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.287 -3.565 6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 44 20.611 -4.310 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.255 -2.960 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.898 -6.049 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.770 -6.309 8.698 1.00 0.00 H new ATOM 676 N GLY A 45 20.669 -0.242 5.763 1.00 0.00 N ATOM 677 CA GLY A 45 21.626 0.846 5.872 1.00 0.00 C ATOM 678 C GLY A 45 20.966 2.209 6.064 1.00 0.00 C ATOM 679 O GLY A 45 19.739 2.329 6.138 1.00 0.00 O ATOM 0 H GLY A 45 19.703 0.063 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.294 0.651 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.242 0.871 4.973 1.00 0.00 H new ATOM 683 N ALA A 46 21.810 3.239 6.151 1.00 0.00 N ATOM 684 CA ALA A 46 21.415 4.642 6.274 1.00 0.00 C ATOM 685 C ALA A 46 21.651 5.426 4.977 1.00 0.00 C ATOM 686 O ALA A 46 20.959 6.402 4.716 1.00 0.00 O ATOM 687 CB ALA A 46 22.294 5.283 7.356 1.00 0.00 C ATOM 0 H ALA A 46 22.822 3.114 6.137 1.00 0.00 H new ATOM 0 HA ALA A 46 20.352 4.674 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.022 6.332 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.143 4.763 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.342 5.209 7.064 1.00 0.00 H new ATOM 693 N GLU A 47 22.605 4.984 4.155 1.00 0.00 N ATOM 694 CA GLU A 47 23.038 5.635 2.923 1.00 0.00 C ATOM 695 C GLU A 47 22.593 4.716 1.788 1.00 0.00 C ATOM 696 O GLU A 47 22.920 3.523 1.815 1.00 0.00 O ATOM 697 CB GLU A 47 24.557 5.857 3.020 1.00 0.00 C ATOM 698 CG GLU A 47 25.228 6.270 1.707 1.00 0.00 C ATOM 699 CD GLU A 47 24.527 7.462 1.056 1.00 0.00 C ATOM 700 OE1 GLU A 47 24.695 8.587 1.560 1.00 0.00 O ATOM 701 OE2 GLU A 47 23.765 7.194 0.099 1.00 0.00 O ATOM 0 H GLU A 47 23.119 4.123 4.341 1.00 0.00 H new ATOM 0 HA GLU A 47 22.603 6.619 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.751 6.625 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.023 4.938 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.271 6.522 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 47 25.225 5.426 1.017 1.00 0.00 H new ATOM 708 N TYR A 48 21.902 5.269 0.792 1.00 0.00 N ATOM 709 CA TYR A 48 21.295 4.573 -0.337 1.00 0.00 C ATOM 710 C TYR A 48 22.285 4.295 -1.476 1.00 0.00 C ATOM 711 O TYR A 48 21.992 3.462 -2.329 1.00 0.00 O ATOM 712 CB TYR A 48 20.126 5.447 -0.831 1.00 0.00 C ATOM 713 CG TYR A 48 19.220 4.835 -1.887 1.00 0.00 C ATOM 714 CD1 TYR A 48 18.288 3.842 -1.529 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.275 5.287 -3.222 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.436 3.288 -2.502 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.427 4.732 -4.200 1.00 0.00 C ATOM 718 CZ TYR A 48 17.508 3.719 -3.845 1.00 0.00 C ATOM 719 OH TYR A 48 16.705 3.140 -4.780 1.00 0.00 O ATOM 0 H TYR A 48 21.743 6.276 0.751 1.00 0.00 H new ATOM 0 HA TYR A 48 20.951 3.592 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.514 5.716 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.538 6.374 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.227 3.505 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.973 6.065 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.722 2.528 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.479 5.081 -5.221 1.00 0.00 H new ATOM 0 HH TYR A 48 16.599 3.748 -5.542 1.00 0.00 H new ATOM 729 N GLN A 49 23.495 4.863 -1.465 1.00 0.00 N ATOM 730 CA GLN A 49 24.536 4.591 -2.458 1.00 0.00 C ATOM 731 C GLN A 49 24.804 3.080 -2.560 1.00 0.00 C ATOM 732 O GLN A 49 25.011 2.544 -3.649 1.00 0.00 O ATOM 733 CB GLN A 49 25.800 5.348 -2.016 1.00 0.00 C ATOM 734 CG GLN A 49 27.008 5.125 -2.931 1.00 0.00 C ATOM 735 CD GLN A 49 28.241 5.885 -2.443 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.771 6.741 -3.139 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.745 5.584 -1.254 1.00 0.00 N ATOM 0 H GLN A 49 23.782 5.535 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 49 24.223 4.926 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.578 6.414 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.061 5.039 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.234 4.060 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.761 5.446 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.300 4.870 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.578 6.067 -0.916 1.00 0.00 H new ATOM 746 N HIS A 50 24.769 2.388 -1.424 1.00 0.00 N ATOM 747 CA HIS A 50 24.990 0.951 -1.328 1.00 0.00 C ATOM 748 C HIS A 50 23.844 0.161 -1.964 1.00 0.00 C ATOM 749 O HIS A 50 24.069 -0.884 -2.570 1.00 0.00 O ATOM 750 CB HIS A 50 25.149 0.579 0.151 1.00 0.00 C ATOM 751 CG HIS A 50 26.104 1.505 0.862 1.00 0.00 C ATOM 752 ND1 HIS A 50 25.749 2.575 1.656 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.459 1.549 0.673 1.00 0.00 C ATOM 754 CE1 HIS A 50 26.882 3.232 1.964 1.00 0.00 C ATOM 755 NE2 HIS A 50 27.943 2.655 1.380 1.00 0.00 N ATOM 0 H HIS A 50 24.581 2.825 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 50 25.896 0.693 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.176 0.614 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.510 -0.446 0.231 1.00 0.00 H new ATOM 0 HD1 HIS A 50 24.805 2.822 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 50 28.046 0.858 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 50 26.931 4.106 2.596 1.00 0.00 H new ATOM 763 N PHE A 51 22.614 0.674 -1.868 1.00 0.00 N ATOM 764 CA PHE A 51 21.414 0.052 -2.413 1.00 0.00 C ATOM 765 C PHE A 51 21.577 -0.137 -3.923 1.00 0.00 C ATOM 766 O PHE A 51 21.201 -1.180 -4.462 1.00 0.00 O ATOM 767 CB PHE A 51 20.211 0.955 -2.098 1.00 0.00 C ATOM 768 CG PHE A 51 18.842 0.308 -2.125 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.295 -0.167 -3.332 1.00 0.00 C ATOM 770 CD2 PHE A 51 18.054 0.307 -0.957 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.964 -0.605 -3.377 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.711 -0.102 -1.009 1.00 0.00 C ATOM 773 CZ PHE A 51 16.163 -0.527 -2.231 1.00 0.00 C ATOM 0 H PHE A 51 22.425 1.558 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 51 21.252 -0.928 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.362 1.388 -1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.210 1.780 -2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.902 -0.194 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.484 0.622 -0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.557 -1.002 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.104 -0.090 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.118 -0.795 -2.287 1.00 0.00 H new ATOM 783 N ILE A 52 22.185 0.851 -4.595 1.00 0.00 N ATOM 784 CA ILE A 52 22.361 0.861 -6.042 1.00 0.00 C ATOM 785 C ILE A 52 23.184 -0.372 -6.460 1.00 0.00 C ATOM 786 O ILE A 52 22.980 -0.907 -7.545 1.00 0.00 O ATOM 787 CB ILE A 52 23.068 2.159 -6.519 1.00 0.00 C ATOM 788 CG1 ILE A 52 22.676 3.469 -5.797 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.815 2.371 -8.026 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.208 3.883 -5.796 1.00 0.00 C ATOM 0 H ILE A 52 22.572 1.675 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 52 21.377 0.829 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 52 24.115 1.980 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 52 22.999 3.386 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 52 23.250 4.280 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.314 3.283 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 52 23.209 1.521 -8.584 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.744 2.458 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.095 4.820 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 52 20.867 4.017 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.612 3.108 -5.313 1.00 0.00 H new ATOM 802 N GLN A 53 24.113 -0.821 -5.606 1.00 0.00 N ATOM 803 CA GLN A 53 25.030 -1.926 -5.870 1.00 0.00 C ATOM 804 C GLN A 53 24.366 -3.297 -5.679 1.00 0.00 C ATOM 805 O GLN A 53 24.853 -4.287 -6.218 1.00 0.00 O ATOM 806 CB GLN A 53 26.252 -1.823 -4.934 1.00 0.00 C ATOM 807 CG GLN A 53 26.921 -0.437 -4.905 1.00 0.00 C ATOM 808 CD GLN A 53 28.142 -0.421 -3.986 1.00 0.00 C ATOM 809 OE1 GLN A 53 28.088 0.045 -2.855 1.00 0.00 O ATOM 810 NE2 GLN A 53 29.278 -0.924 -4.445 1.00 0.00 N ATOM 0 H GLN A 53 24.247 -0.408 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 53 25.337 -1.847 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.941 -2.083 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.992 -2.563 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.221 -0.156 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.201 0.308 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.320 -1.312 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.111 -0.924 -3.856 1.00 0.00 H new ATOM 819 N GLN A 54 23.304 -3.375 -4.874 1.00 0.00 N ATOM 820 CA GLN A 54 22.615 -4.618 -4.524 1.00 0.00 C ATOM 821 C GLN A 54 21.633 -5.075 -5.612 1.00 0.00 C ATOM 822 O GLN A 54 21.235 -6.239 -5.631 1.00 0.00 O ATOM 823 CB GLN A 54 21.895 -4.441 -3.178 1.00 0.00 C ATOM 824 CG GLN A 54 22.882 -4.205 -2.015 1.00 0.00 C ATOM 825 CD GLN A 54 22.227 -3.903 -0.665 1.00 0.00 C ATOM 826 OE1 GLN A 54 22.896 -3.876 0.358 1.00 0.00 O ATOM 827 NE2 GLN A 54 20.928 -3.644 -0.603 1.00 0.00 N ATOM 0 H GLN A 54 22.889 -2.553 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 54 23.366 -5.403 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.206 -3.599 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.296 -5.327 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.512 -5.088 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.538 -3.375 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 54 20.363 -3.664 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.494 -3.424 0.294 1.00 0.00 H new ATOM 836 N CYS A 55 21.158 -4.149 -6.443 1.00 0.00 N ATOM 837 CA CYS A 55 20.222 -4.408 -7.527 1.00 0.00 C ATOM 838 C CYS A 55 20.992 -4.992 -8.721 1.00 0.00 C ATOM 839 O CYS A 55 21.819 -4.277 -9.287 1.00 0.00 O ATOM 840 CB CYS A 55 19.566 -3.071 -7.899 1.00 0.00 C ATOM 841 SG CYS A 55 18.668 -2.377 -6.473 1.00 0.00 S ATOM 0 H CYS A 55 21.425 -3.167 -6.375 1.00 0.00 H new ATOM 0 HA CYS A 55 19.454 -5.124 -7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.328 -2.367 -8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 55 18.879 -3.217 -8.732 1.00 0.00 H new ATOM 0 HG CYS A 55 19.519 -1.885 -5.622 1.00 0.00 H new ATOM 847 N THR A 56 20.750 -6.250 -9.112 1.00 0.00 N ATOM 848 CA THR A 56 21.473 -6.870 -10.227 1.00 0.00 C ATOM 849 C THR A 56 20.500 -7.524 -11.230 1.00 0.00 C ATOM 850 O THR A 56 19.281 -7.373 -11.162 1.00 0.00 O ATOM 851 CB THR A 56 22.629 -7.801 -9.765 1.00 0.00 C ATOM 852 OG1 THR A 56 22.178 -9.083 -9.395 1.00 0.00 O ATOM 853 CG2 THR A 56 23.428 -7.277 -8.568 1.00 0.00 C ATOM 0 H THR A 56 20.059 -6.857 -8.672 1.00 0.00 H new ATOM 0 HA THR A 56 21.979 -6.071 -10.769 1.00 0.00 H new ATOM 0 HB THR A 56 23.269 -7.837 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 56 22.542 -9.749 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 56 24.213 -7.989 -8.315 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.877 -6.317 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.763 -7.151 -7.714 1.00 0.00 H new ATOM 861 N ASP A 57 21.096 -8.217 -12.191 1.00 0.00 N ATOM 862 CA ASP A 57 20.639 -8.925 -13.370 1.00 0.00 C ATOM 863 C ASP A 57 19.352 -9.757 -13.249 1.00 0.00 C ATOM 864 O ASP A 57 18.310 -9.319 -13.742 1.00 0.00 O ATOM 865 CB ASP A 57 21.839 -9.802 -13.815 1.00 0.00 C ATOM 866 CG ASP A 57 22.319 -10.769 -12.715 1.00 0.00 C ATOM 867 OD1 ASP A 57 22.854 -10.264 -11.698 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.027 -11.975 -12.823 1.00 0.00 O ATOM 0 H ASP A 57 22.111 -8.306 -12.140 1.00 0.00 H new ATOM 0 HA ASP A 57 20.335 -8.177 -14.102 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.555 -10.376 -14.697 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.666 -9.155 -14.108 1.00 0.00 H new ATOM 873 N ASP A 58 19.396 -10.939 -12.634 1.00 0.00 N ATOM 874 CA ASP A 58 18.290 -11.893 -12.524 1.00 0.00 C ATOM 875 C ASP A 58 17.662 -11.961 -11.134 1.00 0.00 C ATOM 876 O ASP A 58 16.670 -12.655 -10.906 1.00 0.00 O ATOM 877 CB ASP A 58 18.812 -13.271 -12.955 1.00 0.00 C ATOM 878 CG ASP A 58 17.687 -14.246 -13.292 1.00 0.00 C ATOM 879 OD1 ASP A 58 16.960 -13.998 -14.281 1.00 0.00 O ATOM 880 OD2 ASP A 58 17.572 -15.315 -12.642 1.00 0.00 O ATOM 0 H ASP A 58 20.244 -11.274 -12.177 1.00 0.00 H new ATOM 0 HA ASP A 58 17.486 -11.551 -13.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.459 -13.155 -13.824 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.424 -13.690 -12.156 1.00 0.00 H new ATOM 885 N VAL A 59 18.250 -11.270 -10.159 1.00 0.00 N ATOM 886 CA VAL A 59 17.798 -11.316 -8.793 1.00 0.00 C ATOM 887 C VAL A 59 16.433 -10.633 -8.668 1.00 0.00 C ATOM 888 O VAL A 59 16.221 -9.525 -9.164 1.00 0.00 O ATOM 889 CB VAL A 59 18.879 -10.707 -7.880 1.00 0.00 C ATOM 890 CG1 VAL A 59 20.178 -11.527 -7.954 1.00 0.00 C ATOM 891 CG2 VAL A 59 19.192 -9.226 -8.138 1.00 0.00 C ATOM 0 H VAL A 59 19.056 -10.663 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 59 17.651 -12.346 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 59 18.450 -10.752 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 59 20.928 -11.080 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.981 -12.550 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.546 -11.533 -8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.964 -8.891 -7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.544 -9.102 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.290 -8.632 -7.990 1.00 0.00 H new ATOM 901 N ARG A 60 15.490 -11.307 -8.007 1.00 0.00 N ATOM 902 CA ARG A 60 14.175 -10.752 -7.715 1.00 0.00 C ATOM 903 C ARG A 60 14.317 -10.416 -6.232 1.00 0.00 C ATOM 904 O ARG A 60 14.663 -11.299 -5.441 1.00 0.00 O ATOM 905 CB ARG A 60 13.056 -11.732 -8.134 1.00 0.00 C ATOM 906 CG ARG A 60 12.789 -12.915 -7.193 1.00 0.00 C ATOM 907 CD ARG A 60 11.672 -13.811 -7.748 1.00 0.00 C ATOM 908 NE ARG A 60 11.073 -14.626 -6.677 1.00 0.00 N ATOM 909 CZ ARG A 60 11.156 -15.945 -6.483 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.816 -16.734 -7.323 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.547 -16.457 -5.418 1.00 0.00 N ATOM 0 H ARG A 60 15.621 -12.257 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 60 13.872 -9.865 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.130 -11.166 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.302 -12.129 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.701 -13.499 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.509 -12.545 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.904 -13.195 -8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.074 -14.462 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 60 10.520 -14.113 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.276 -16.336 -8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.863 -17.738 -7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.037 -15.847 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.590 -17.460 -5.239 1.00 0.00 H new ATOM 925 N LEU A 61 14.094 -9.165 -5.841 1.00 0.00 N ATOM 926 CA LEU A 61 14.295 -8.698 -4.473 1.00 0.00 C ATOM 927 C LEU A 61 13.202 -7.713 -4.094 1.00 0.00 C ATOM 928 O LEU A 61 12.486 -7.191 -4.946 1.00 0.00 O ATOM 929 CB LEU A 61 15.707 -8.071 -4.413 1.00 0.00 C ATOM 930 CG LEU A 61 16.189 -7.448 -3.089 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.336 -8.521 -2.006 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.545 -6.763 -3.293 1.00 0.00 C ATOM 0 H LEU A 61 13.764 -8.437 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 61 14.233 -9.513 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.423 -8.844 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.757 -7.297 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 61 15.446 -6.716 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.677 -8.059 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.373 -9.002 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.063 -9.267 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.877 -6.326 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.277 -7.497 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.447 -5.978 -4.043 1.00 0.00 H new ATOM 944 N PHE A 62 13.051 -7.472 -2.799 1.00 0.00 N ATOM 945 CA PHE A 62 12.114 -6.497 -2.260 1.00 0.00 C ATOM 946 C PHE A 62 12.872 -5.642 -1.250 1.00 0.00 C ATOM 947 O PHE A 62 13.815 -6.128 -0.615 1.00 0.00 O ATOM 948 CB PHE A 62 10.937 -7.195 -1.567 1.00 0.00 C ATOM 949 CG PHE A 62 9.842 -7.816 -2.415 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.102 -8.827 -3.361 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.508 -7.479 -2.129 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.044 -9.501 -3.991 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.454 -8.170 -2.741 1.00 0.00 C ATOM 954 CZ PHE A 62 7.713 -9.184 -3.673 1.00 0.00 C ATOM 0 H PHE A 62 13.587 -7.958 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 62 11.709 -5.885 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.348 -7.982 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.467 -6.467 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.122 -9.085 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.294 -6.682 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.254 -10.266 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.433 -7.919 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.898 -9.716 -4.142 1.00 0.00 H new ATOM 964 N ALA A 63 12.447 -4.392 -1.055 1.00 0.00 N ATOM 965 CA ALA A 63 13.033 -3.503 -0.079 1.00 0.00 C ATOM 966 C ALA A 63 11.976 -2.646 0.589 1.00 0.00 C ATOM 967 O ALA A 63 10.853 -2.534 0.113 1.00 0.00 O ATOM 968 CB ALA A 63 14.111 -2.668 -0.758 1.00 0.00 C ATOM 0 H ALA A 63 11.679 -3.975 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 63 13.496 -4.086 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.561 -1.993 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.879 -3.326 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.666 -2.087 -1.566 1.00 0.00 H new ATOM 974 N PHE A 64 12.339 -2.048 1.711 1.00 0.00 N ATOM 975 CA PHE A 64 11.463 -1.252 2.551 1.00 0.00 C ATOM 976 C PHE A 64 12.290 -0.047 2.964 1.00 0.00 C ATOM 977 O PHE A 64 13.369 -0.220 3.531 1.00 0.00 O ATOM 978 CB PHE A 64 11.045 -2.157 3.714 1.00 0.00 C ATOM 979 CG PHE A 64 10.250 -1.520 4.829 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.907 -1.154 4.622 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.833 -1.359 6.100 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.168 -0.587 5.674 1.00 0.00 C ATOM 983 CE2 PHE A 64 10.093 -0.782 7.144 1.00 0.00 C ATOM 984 CZ PHE A 64 8.777 -0.360 6.919 1.00 0.00 C ATOM 0 H PHE A 64 13.290 -2.107 2.075 1.00 0.00 H new ATOM 0 HA PHE A 64 10.549 -0.891 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.458 -2.981 3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.947 -2.591 4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.446 -1.308 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.850 -1.679 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.131 -0.326 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.539 -0.664 8.121 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.230 0.141 7.704 1.00 0.00 H new ATOM 994 N VAL A 65 11.803 1.160 2.684 1.00 0.00 N ATOM 995 CA VAL A 65 12.552 2.384 2.942 1.00 0.00 C ATOM 996 C VAL A 65 11.657 3.412 3.624 1.00 0.00 C ATOM 997 O VAL A 65 10.481 3.544 3.265 1.00 0.00 O ATOM 998 CB VAL A 65 13.094 2.916 1.593 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.001 4.139 1.762 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.897 1.847 0.829 1.00 0.00 C ATOM 0 H VAL A 65 10.882 1.315 2.274 1.00 0.00 H new ATOM 0 HA VAL A 65 13.389 2.185 3.612 1.00 0.00 H new ATOM 0 HB VAL A 65 12.205 3.195 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.352 4.469 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.441 4.944 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.856 3.875 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.257 2.265 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.746 1.529 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.257 0.989 0.623 1.00 0.00 H new ATOM 1010 N ARG A 66 12.207 4.110 4.621 1.00 0.00 N ATOM 1011 CA ARG A 66 11.552 5.200 5.330 1.00 0.00 C ATOM 1012 C ARG A 66 11.721 6.416 4.434 1.00 0.00 C ATOM 1013 O ARG A 66 12.845 6.851 4.200 1.00 0.00 O ATOM 1014 CB ARG A 66 12.139 5.405 6.740 1.00 0.00 C ATOM 1015 CG ARG A 66 11.369 6.494 7.510 1.00 0.00 C ATOM 1016 CD ARG A 66 11.638 6.511 9.024 1.00 0.00 C ATOM 1017 NE ARG A 66 12.961 7.034 9.398 1.00 0.00 N ATOM 1018 CZ ARG A 66 14.049 6.340 9.761 1.00 0.00 C ATOM 1019 NH1 ARG A 66 14.125 5.024 9.582 1.00 0.00 N ATOM 1020 NH2 ARG A 66 15.067 6.993 10.303 1.00 0.00 N ATOM 0 H ARG A 66 13.149 3.922 4.964 1.00 0.00 H new ATOM 0 HA ARG A 66 10.497 4.993 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.099 4.467 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.190 5.685 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.630 7.468 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.301 6.353 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.871 7.114 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.539 5.497 9.410 1.00 0.00 H new ATOM 0 HE ARG A 66 13.063 8.049 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.344 4.521 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.964 4.518 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.012 8.003 10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.905 6.486 10.587 1.00 0.00 H new ATOM 1034 N PHE A 67 10.617 6.943 3.916 1.00 0.00 N ATOM 1035 CA PHE A 67 10.594 8.044 2.972 1.00 0.00 C ATOM 1036 C PHE A 67 9.575 9.079 3.441 1.00 0.00 C ATOM 1037 O PHE A 67 8.448 8.736 3.807 1.00 0.00 O ATOM 1038 CB PHE A 67 10.268 7.455 1.593 1.00 0.00 C ATOM 1039 CG PHE A 67 10.183 8.468 0.475 1.00 0.00 C ATOM 1040 CD1 PHE A 67 9.000 9.208 0.294 1.00 0.00 C ATOM 1041 CD2 PHE A 67 11.268 8.655 -0.403 1.00 0.00 C ATOM 1042 CE1 PHE A 67 8.911 10.164 -0.729 1.00 0.00 C ATOM 1043 CE2 PHE A 67 11.179 9.605 -1.429 1.00 0.00 C ATOM 1044 CZ PHE A 67 10.007 10.371 -1.583 1.00 0.00 C ATOM 0 H PHE A 67 9.685 6.601 4.152 1.00 0.00 H new ATOM 0 HA PHE A 67 11.552 8.559 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.030 6.718 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.318 6.924 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.156 9.039 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.167 8.068 -0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.005 10.737 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.010 9.750 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.951 11.119 -2.360 1.00 0.00 H new ATOM 1054 N THR A 68 9.955 10.353 3.435 1.00 0.00 N ATOM 1055 CA THR A 68 9.123 11.446 3.922 1.00 0.00 C ATOM 1056 C THR A 68 8.362 12.111 2.773 1.00 0.00 C ATOM 1057 O THR A 68 8.919 12.459 1.730 1.00 0.00 O ATOM 1058 CB THR A 68 10.001 12.432 4.722 1.00 0.00 C ATOM 1059 OG1 THR A 68 10.176 11.908 6.025 1.00 0.00 O ATOM 1060 CG2 THR A 68 9.459 13.864 4.847 1.00 0.00 C ATOM 0 H THR A 68 10.863 10.659 3.086 1.00 0.00 H new ATOM 0 HA THR A 68 8.358 11.061 4.597 1.00 0.00 H new ATOM 0 HB THR A 68 10.930 12.521 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.356 12.043 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.156 14.468 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.344 14.298 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.491 13.844 5.348 1.00 0.00 H new ATOM 1128 N SER A 74 2.904 19.876 9.978 1.00 0.00 N ATOM 1129 CA SER A 74 3.357 18.733 10.739 1.00 0.00 C ATOM 1130 C SER A 74 4.133 17.830 9.765 1.00 0.00 C ATOM 1131 O SER A 74 3.775 17.743 8.586 1.00 0.00 O ATOM 1132 CB SER A 74 2.144 18.033 11.346 1.00 0.00 C ATOM 1133 OG SER A 74 1.490 18.907 12.248 1.00 0.00 O ATOM 0 HA SER A 74 4.012 19.010 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.456 17.727 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.457 17.127 11.865 1.00 0.00 H new ATOM 0 HG SER A 74 1.629 19.835 11.964 1.00 0.00 H new ATOM 1139 N LYS A 75 5.185 17.164 10.256 1.00 0.00 N ATOM 1140 CA LYS A 75 5.994 16.220 9.482 1.00 0.00 C ATOM 1141 C LYS A 75 5.206 14.989 9.039 1.00 0.00 C ATOM 1142 O LYS A 75 4.090 14.714 9.497 1.00 0.00 O ATOM 1143 CB LYS A 75 7.234 15.794 10.300 1.00 0.00 C ATOM 1144 CG LYS A 75 8.388 16.810 10.241 1.00 0.00 C ATOM 1145 CD LYS A 75 9.370 16.439 9.113 1.00 0.00 C ATOM 1146 CE LYS A 75 10.501 17.465 8.971 1.00 0.00 C ATOM 1147 NZ LYS A 75 10.067 18.640 8.190 1.00 0.00 N ATOM 0 H LYS A 75 5.502 17.269 11.220 1.00 0.00 H new ATOM 0 HA LYS A 75 6.308 16.736 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.941 15.649 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.589 14.831 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.992 17.811 10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.912 16.831 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.796 15.456 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.828 16.366 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.831 17.785 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.358 16.999 8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.854 19.315 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.776 18.336 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.265 19.098 8.668 1.00 0.00 H new ATOM 1161 N ARG A 76 5.815 14.232 8.126 1.00 0.00 N ATOM 1162 CA ARG A 76 5.321 12.966 7.615 1.00 0.00 C ATOM 1163 C ARG A 76 6.523 12.049 7.497 1.00 0.00 C ATOM 1164 O ARG A 76 7.631 12.483 7.178 1.00 0.00 O ATOM 1165 CB ARG A 76 4.655 13.074 6.235 1.00 0.00 C ATOM 1166 CG ARG A 76 3.356 13.887 6.183 1.00 0.00 C ATOM 1167 CD ARG A 76 3.516 15.417 6.178 1.00 0.00 C ATOM 1168 NE ARG A 76 3.209 16.013 4.870 1.00 0.00 N ATOM 1169 CZ ARG A 76 2.002 16.311 4.376 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.881 15.909 4.979 1.00 0.00 N ATOM 1171 NH2 ARG A 76 1.933 17.021 3.256 1.00 0.00 N ATOM 0 H ARG A 76 6.705 14.502 7.708 1.00 0.00 H new ATOM 0 HA ARG A 76 4.556 12.597 8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.369 13.520 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.446 12.067 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.805 13.597 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.742 13.609 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.860 15.850 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.538 15.673 6.459 1.00 0.00 H new ATOM 0 HE ARG A 76 4.007 16.223 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.932 15.361 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.027 16.150 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.789 17.326 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.024 17.261 2.859 1.00 0.00 H new ATOM 1185 N SER A 77 6.262 10.775 7.696 1.00 0.00 N ATOM 1186 CA SER A 77 7.192 9.678 7.564 1.00 0.00 C ATOM 1187 C SER A 77 6.349 8.524 7.063 1.00 0.00 C ATOM 1188 O SER A 77 5.310 8.212 7.657 1.00 0.00 O ATOM 1189 CB SER A 77 7.820 9.421 8.927 1.00 0.00 C ATOM 1190 OG SER A 77 8.931 8.574 8.856 1.00 0.00 O ATOM 0 H SER A 77 5.332 10.459 7.973 1.00 0.00 H new ATOM 0 HA SER A 77 8.018 9.858 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.120 10.371 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.074 8.981 9.590 1.00 0.00 H new ATOM 0 HG SER A 77 9.553 8.789 9.582 1.00 0.00 H new ATOM 1196 N LYS A 78 6.729 7.944 5.934 1.00 0.00 N ATOM 1197 CA LYS A 78 5.990 6.887 5.269 1.00 0.00 C ATOM 1198 C LYS A 78 6.975 5.829 4.835 1.00 0.00 C ATOM 1199 O LYS A 78 8.184 5.968 5.006 1.00 0.00 O ATOM 1200 CB LYS A 78 5.191 7.444 4.078 1.00 0.00 C ATOM 1201 CG LYS A 78 4.178 8.476 4.567 1.00 0.00 C ATOM 1202 CD LYS A 78 3.125 8.874 3.534 1.00 0.00 C ATOM 1203 CE LYS A 78 2.509 10.192 4.021 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.192 10.470 3.426 1.00 0.00 N ATOM 0 H LYS A 78 7.584 8.205 5.443 1.00 0.00 H new ATOM 0 HA LYS A 78 5.263 6.446 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.868 7.901 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.677 6.633 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.672 8.080 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.714 9.371 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.576 8.998 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.362 8.101 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.411 10.161 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.188 11.012 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.828 11.372 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.284 10.529 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.532 9.705 3.672 1.00 0.00 H new ATOM 1218 N PHE A 79 6.423 4.764 4.278 1.00 0.00 N ATOM 1219 CA PHE A 79 7.199 3.613 3.869 1.00 0.00 C ATOM 1220 C PHE A 79 6.795 3.219 2.466 1.00 0.00 C ATOM 1221 O PHE A 79 5.600 3.056 2.188 1.00 0.00 O ATOM 1222 CB PHE A 79 7.055 2.471 4.873 1.00 0.00 C ATOM 1223 CG PHE A 79 7.361 2.914 6.288 1.00 0.00 C ATOM 1224 CD1 PHE A 79 8.698 3.117 6.670 1.00 0.00 C ATOM 1225 CD2 PHE A 79 6.316 3.287 7.157 1.00 0.00 C ATOM 1226 CE1 PHE A 79 8.986 3.735 7.895 1.00 0.00 C ATOM 1227 CE2 PHE A 79 6.609 3.913 8.380 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.946 4.147 8.743 1.00 0.00 C ATOM 0 H PHE A 79 5.423 4.676 4.098 1.00 0.00 H new ATOM 0 HA PHE A 79 8.259 3.864 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.040 2.076 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.726 1.658 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.501 2.798 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.290 3.092 6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 79 10.013 3.895 8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.808 4.214 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.174 4.644 9.675 1.00 0.00 H new ATOM 1238 N ALA A 80 7.801 3.108 1.604 1.00 0.00 N ATOM 1239 CA ALA A 80 7.694 2.678 0.226 1.00 0.00 C ATOM 1240 C ALA A 80 8.245 1.256 0.163 1.00 0.00 C ATOM 1241 O ALA A 80 9.394 1.020 0.548 1.00 0.00 O ATOM 1242 CB ALA A 80 8.471 3.660 -0.668 1.00 0.00 C ATOM 0 H ALA A 80 8.761 3.329 1.868 1.00 0.00 H new ATOM 0 HA ALA A 80 6.665 2.674 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.395 3.343 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.050 4.660 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.519 3.674 -0.368 1.00 0.00 H new ATOM 1248 N LEU A 81 7.394 0.299 -0.213 1.00 0.00 N ATOM 1249 CA LEU A 81 7.803 -1.086 -0.410 1.00 0.00 C ATOM 1250 C LEU A 81 8.277 -1.136 -1.855 1.00 0.00 C ATOM 1251 O LEU A 81 7.499 -0.964 -2.786 1.00 0.00 O ATOM 1252 CB LEU A 81 6.620 -2.026 -0.121 1.00 0.00 C ATOM 1253 CG LEU A 81 6.823 -3.538 -0.371 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.639 -3.986 -1.827 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.132 -4.100 0.183 1.00 0.00 C ATOM 0 H LEU A 81 6.403 0.466 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 81 8.595 -1.415 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.335 -1.894 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.775 -1.697 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 81 6.004 -3.969 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.802 -5.061 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.627 -3.749 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.357 -3.466 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.192 -5.166 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.974 -3.586 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.165 -3.950 1.262 1.00 0.00 H new ATOM 1267 N ILE A 82 9.557 -1.357 -2.062 1.00 0.00 N ATOM 1268 CA ILE A 82 10.172 -1.365 -3.378 1.00 0.00 C ATOM 1269 C ILE A 82 10.272 -2.817 -3.784 1.00 0.00 C ATOM 1270 O ILE A 82 10.481 -3.695 -2.943 1.00 0.00 O ATOM 1271 CB ILE A 82 11.541 -0.665 -3.297 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.339 0.865 -3.206 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.514 -1.003 -4.441 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.059 1.399 -1.972 1.00 0.00 C ATOM 0 H ILE A 82 10.216 -1.540 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 82 9.595 -0.822 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 82 12.016 -1.051 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.726 1.348 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.276 1.100 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.449 -0.462 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.712 -2.075 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.071 -0.712 -5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.917 2.478 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.651 0.925 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.123 1.177 -2.047 1.00 0.00 H new ATOM 1286 N THR A 83 10.136 -3.071 -5.076 1.00 0.00 N ATOM 1287 CA THR A 83 10.303 -4.404 -5.601 1.00 0.00 C ATOM 1288 C THR A 83 11.349 -4.221 -6.700 1.00 0.00 C ATOM 1289 O THR A 83 11.144 -3.384 -7.581 1.00 0.00 O ATOM 1290 CB THR A 83 8.963 -4.888 -6.173 1.00 0.00 C ATOM 1291 OG1 THR A 83 7.857 -4.468 -5.387 1.00 0.00 O ATOM 1292 CG2 THR A 83 8.961 -6.415 -6.091 1.00 0.00 C ATOM 0 H THR A 83 9.910 -2.365 -5.777 1.00 0.00 H new ATOM 0 HA THR A 83 10.612 -5.144 -4.862 1.00 0.00 H new ATOM 0 HB THR A 83 8.867 -4.489 -7.183 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.677 -3.519 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.022 -6.800 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.792 -6.812 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.067 -6.724 -5.051 1.00 0.00 H new ATOM 1300 N TRP A 84 12.463 -4.942 -6.642 1.00 0.00 N ATOM 1301 CA TRP A 84 13.472 -4.910 -7.684 1.00 0.00 C ATOM 1302 C TRP A 84 13.260 -6.201 -8.457 1.00 0.00 C ATOM 1303 O TRP A 84 13.312 -7.281 -7.863 1.00 0.00 O ATOM 1304 CB TRP A 84 14.886 -4.859 -7.093 1.00 0.00 C ATOM 1305 CG TRP A 84 15.931 -5.148 -8.125 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.437 -6.371 -8.413 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.462 -4.249 -9.141 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.222 -6.289 -9.544 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.228 -5.017 -10.064 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.347 -2.867 -9.396 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.793 -4.459 -11.218 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.949 -2.288 -10.529 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.635 -3.088 -11.456 1.00 0.00 C ATOM 0 H TRP A 84 12.689 -5.566 -5.867 1.00 0.00 H new ATOM 0 HA TRP A 84 13.380 -4.024 -8.313 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.064 -3.874 -6.661 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.967 -5.582 -6.281 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.254 -7.271 -7.845 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.734 -7.075 -9.945 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.789 -2.244 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.342 -5.077 -11.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.883 -1.222 -10.686 1.00 0.00 H new ATOM 0 HH2 TRP A 84 18.041 -2.646 -12.354 1.00 0.00 H new ATOM 1324 N ILE A 85 13.034 -6.102 -9.761 1.00 0.00 N ATOM 1325 CA ILE A 85 12.840 -7.238 -10.637 1.00 0.00 C ATOM 1326 C ILE A 85 13.521 -6.859 -11.948 1.00 0.00 C ATOM 1327 O ILE A 85 12.973 -6.062 -12.714 1.00 0.00 O ATOM 1328 CB ILE A 85 11.334 -7.563 -10.840 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.467 -7.654 -9.562 1.00 0.00 C ATOM 1330 CG2 ILE A 85 11.208 -8.875 -11.630 1.00 0.00 C ATOM 1331 CD1 ILE A 85 10.742 -8.897 -8.708 1.00 0.00 C ATOM 0 H ILE A 85 12.980 -5.206 -10.245 1.00 0.00 H new ATOM 0 HA ILE A 85 13.268 -8.146 -10.213 1.00 0.00 H new ATOM 0 HB ILE A 85 10.935 -6.704 -11.380 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.638 -6.764 -8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.415 -7.648 -9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.154 -9.111 -11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.694 -8.764 -12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.686 -9.682 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.095 -8.887 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.543 -9.793 -9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.784 -8.896 -8.389 1.00 0.00 H new ATOM 1343 N GLY A 86 14.727 -7.372 -12.196 1.00 0.00 N ATOM 1344 CA GLY A 86 15.386 -7.127 -13.468 1.00 0.00 C ATOM 1345 C GLY A 86 14.501 -7.693 -14.587 1.00 0.00 C ATOM 1346 O GLY A 86 13.724 -8.628 -14.372 1.00 0.00 O ATOM 0 H GLY A 86 15.255 -7.949 -11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.545 -6.059 -13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.368 -7.600 -13.484 1.00 0.00 H new ATOM 1350 N GLU A 87 14.604 -7.172 -15.806 1.00 0.00 N ATOM 1351 CA GLU A 87 13.765 -7.654 -16.909 1.00 0.00 C ATOM 1352 C GLU A 87 14.246 -9.036 -17.415 1.00 0.00 C ATOM 1353 O GLU A 87 13.634 -9.639 -18.302 1.00 0.00 O ATOM 1354 CB GLU A 87 13.592 -6.578 -17.992 1.00 0.00 C ATOM 1355 CG GLU A 87 12.329 -6.884 -18.818 1.00 0.00 C ATOM 1356 CD GLU A 87 11.935 -5.777 -19.788 1.00 0.00 C ATOM 1357 OE1 GLU A 87 11.435 -4.731 -19.319 1.00 0.00 O ATOM 1358 OE2 GLU A 87 12.068 -6.031 -21.009 1.00 0.00 O ATOM 0 H GLU A 87 15.251 -6.425 -16.058 1.00 0.00 H new ATOM 0 HA GLU A 87 12.755 -7.833 -16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.510 -5.593 -17.532 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.468 -6.555 -18.641 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.490 -7.804 -19.380 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.498 -7.068 -18.137 1.00 0.00 H new ATOM 1365 N ASN A 88 15.348 -9.559 -16.865 1.00 0.00 N ATOM 1366 CA ASN A 88 15.959 -10.809 -17.308 1.00 0.00 C ATOM 1367 C ASN A 88 15.235 -11.983 -16.653 1.00 0.00 C ATOM 1368 O ASN A 88 15.037 -13.005 -17.316 1.00 0.00 O ATOM 1369 CB ASN A 88 17.435 -10.872 -16.869 1.00 0.00 C ATOM 1370 CG ASN A 88 18.250 -9.686 -17.361 1.00 0.00 C ATOM 1371 OD1 ASN A 88 18.501 -9.545 -18.552 1.00 0.00 O ATOM 1372 ND2 ASN A 88 18.632 -8.782 -16.477 1.00 0.00 N ATOM 0 H ASN A 88 15.844 -9.117 -16.090 1.00 0.00 H new ATOM 0 HA ASN A 88 15.889 -10.858 -18.395 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.484 -10.913 -15.781 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.881 -11.793 -17.243 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.143 -7.954 -16.783 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.416 -8.912 -15.489 1.00 0.00 H new ATOM 1379 N VAL A 89 14.796 -11.835 -15.400 1.00 0.00 N ATOM 1380 CA VAL A 89 14.015 -12.847 -14.714 1.00 0.00 C ATOM 1381 C VAL A 89 12.643 -12.822 -15.403 1.00 0.00 C ATOM 1382 O VAL A 89 11.996 -11.776 -15.498 1.00 0.00 O ATOM 1383 CB VAL A 89 14.093 -12.606 -13.191 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.767 -11.194 -12.696 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.242 -13.612 -12.425 1.00 0.00 C ATOM 0 H VAL A 89 14.977 -11.004 -14.838 1.00 0.00 H new ATOM 0 HA VAL A 89 14.374 -13.873 -14.791 1.00 0.00 H new ATOM 0 HB VAL A 89 15.154 -12.743 -12.984 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.859 -11.159 -11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.462 -10.483 -13.142 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.748 -10.934 -12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.319 -13.414 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.202 -13.520 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.596 -14.622 -12.634 1.00 0.00 H new ATOM 1395 N SER A 90 12.194 -13.966 -15.921 1.00 0.00 N ATOM 1396 CA SER A 90 10.963 -14.053 -16.690 1.00 0.00 C ATOM 1397 C SER A 90 9.700 -14.062 -15.824 1.00 0.00 C ATOM 1398 O SER A 90 9.731 -14.213 -14.598 1.00 0.00 O ATOM 1399 CB SER A 90 11.049 -15.288 -17.596 1.00 0.00 C ATOM 1400 OG SER A 90 10.157 -15.170 -18.688 1.00 0.00 O ATOM 0 H SER A 90 12.679 -14.857 -15.816 1.00 0.00 H new ATOM 0 HA SER A 90 10.869 -13.151 -17.295 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.068 -15.405 -17.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.812 -16.184 -17.022 1.00 0.00 H new ATOM 0 HG SER A 90 10.227 -15.966 -19.255 1.00 0.00 H new ATOM 1406 N GLY A 91 8.565 -13.966 -16.519 1.00 0.00 N ATOM 1407 CA GLY A 91 7.198 -13.957 -16.040 1.00 0.00 C ATOM 1408 C GLY A 91 6.900 -15.049 -15.024 1.00 0.00 C ATOM 1409 O GLY A 91 6.145 -14.774 -14.095 1.00 0.00 O ATOM 0 H GLY A 91 8.594 -13.885 -17.535 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.986 -12.987 -15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.524 -14.069 -16.889 1.00 0.00 H new ATOM 1413 N LEU A 92 7.486 -16.248 -15.140 1.00 0.00 N ATOM 1414 CA LEU A 92 7.305 -17.314 -14.155 1.00 0.00 C ATOM 1415 C LEU A 92 7.843 -16.889 -12.797 1.00 0.00 C ATOM 1416 O LEU A 92 7.120 -16.924 -11.806 1.00 0.00 O ATOM 1417 CB LEU A 92 7.989 -18.616 -14.602 1.00 0.00 C ATOM 1418 CG LEU A 92 7.804 -19.740 -13.556 1.00 0.00 C ATOM 1419 CD1 LEU A 92 7.393 -21.032 -14.250 1.00 0.00 C ATOM 1420 CD2 LEU A 92 9.075 -19.996 -12.735 1.00 0.00 C ATOM 0 H LEU A 92 8.096 -16.502 -15.917 1.00 0.00 H new ATOM 0 HA LEU A 92 6.234 -17.501 -14.072 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.576 -18.936 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.052 -18.435 -14.759 1.00 0.00 H new ATOM 0 HG LEU A 92 7.025 -19.409 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.265 -21.819 -13.507 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.454 -20.877 -14.781 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.166 -21.326 -14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.889 -20.794 -12.016 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.886 -20.289 -13.402 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.354 -19.086 -12.203 1.00 0.00 H new ATOM 1432 N GLN A 93 9.121 -16.523 -12.720 1.00 0.00 N ATOM 1433 CA GLN A 93 9.714 -16.118 -11.456 1.00 0.00 C ATOM 1434 C GLN A 93 9.074 -14.816 -10.975 1.00 0.00 C ATOM 1435 O GLN A 93 8.809 -14.661 -9.781 1.00 0.00 O ATOM 1436 CB GLN A 93 11.224 -15.989 -11.598 1.00 0.00 C ATOM 1437 CG GLN A 93 11.960 -17.333 -11.512 1.00 0.00 C ATOM 1438 CD GLN A 93 13.324 -17.125 -10.863 1.00 0.00 C ATOM 1439 OE1 GLN A 93 13.402 -16.920 -9.650 1.00 0.00 O ATOM 1440 NE2 GLN A 93 14.401 -17.160 -11.622 1.00 0.00 N ATOM 0 H GLN A 93 9.759 -16.500 -13.515 1.00 0.00 H new ATOM 0 HA GLN A 93 9.522 -16.882 -10.703 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.453 -15.518 -12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.600 -15.327 -10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.373 -18.044 -10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.080 -17.758 -12.508 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.314 -17.331 -12.624 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.322 -17.016 -11.208 1.00 0.00 H new ATOM 1449 N ARG A 94 8.768 -13.894 -11.889 1.00 0.00 N ATOM 1450 CA ARG A 94 8.073 -12.659 -11.554 1.00 0.00 C ATOM 1451 C ARG A 94 6.690 -12.976 -10.975 1.00 0.00 C ATOM 1452 O ARG A 94 6.247 -12.284 -10.061 1.00 0.00 O ATOM 1453 CB ARG A 94 7.984 -11.803 -12.819 1.00 0.00 C ATOM 1454 CG ARG A 94 7.475 -10.389 -12.532 1.00 0.00 C ATOM 1455 CD ARG A 94 7.544 -9.577 -13.824 1.00 0.00 C ATOM 1456 NE ARG A 94 7.235 -8.162 -13.581 1.00 0.00 N ATOM 1457 CZ ARG A 94 8.042 -7.115 -13.786 1.00 0.00 C ATOM 1458 NH1 ARG A 94 9.280 -7.289 -14.220 1.00 0.00 N ATOM 1459 NH2 ARG A 94 7.578 -5.895 -13.538 1.00 0.00 N ATOM 0 H ARG A 94 8.996 -13.986 -12.879 1.00 0.00 H new ATOM 0 HA ARG A 94 8.616 -12.102 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.968 -11.744 -13.285 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.320 -12.287 -13.536 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.451 -10.423 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.080 -9.919 -11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.540 -9.665 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.842 -9.985 -14.551 1.00 0.00 H new ATOM 0 HE ARG A 94 6.305 -7.955 -13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.629 -8.230 -14.402 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.885 -6.482 -14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.624 -5.771 -13.198 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.176 -5.082 -13.687 1.00 0.00 H new ATOM 1473 N ALA A 95 6.027 -14.049 -11.420 1.00 0.00 N ATOM 1474 CA ALA A 95 4.744 -14.465 -10.874 1.00 0.00 C ATOM 1475 C ALA A 95 4.867 -14.834 -9.398 1.00 0.00 C ATOM 1476 O ALA A 95 3.880 -14.677 -8.680 1.00 0.00 O ATOM 1477 CB ALA A 95 4.139 -15.636 -11.652 1.00 0.00 C ATOM 0 H ALA A 95 6.371 -14.649 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 95 4.073 -13.612 -10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.182 -15.912 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.986 -15.343 -12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.817 -16.489 -11.612 1.00 0.00 H new ATOM 1483 N LYS A 96 6.027 -15.307 -8.913 1.00 0.00 N ATOM 1484 CA LYS A 96 6.202 -15.580 -7.482 1.00 0.00 C ATOM 1485 C LYS A 96 6.054 -14.251 -6.775 1.00 0.00 C ATOM 1486 O LYS A 96 5.156 -14.126 -5.961 1.00 0.00 O ATOM 1487 CB LYS A 96 7.550 -16.233 -7.114 1.00 0.00 C ATOM 1488 CG LYS A 96 7.676 -17.738 -7.385 1.00 0.00 C ATOM 1489 CD LYS A 96 7.413 -18.105 -8.848 1.00 0.00 C ATOM 1490 CE LYS A 96 8.101 -19.389 -9.308 1.00 0.00 C ATOM 1491 NZ LYS A 96 7.838 -20.544 -8.430 1.00 0.00 N ATOM 0 H LYS A 96 6.847 -15.506 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 96 5.454 -16.311 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.339 -15.720 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.735 -16.060 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.676 -18.069 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.974 -18.276 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.338 -18.209 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.744 -17.282 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.769 -19.628 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.176 -19.218 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.306 -21.388 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.209 -20.348 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.813 -20.711 -8.374 1.00 0.00 H new ATOM 1505 N THR A 97 6.839 -13.240 -7.148 1.00 0.00 N ATOM 1506 CA THR A 97 6.732 -11.889 -6.609 1.00 0.00 C ATOM 1507 C THR A 97 5.272 -11.414 -6.683 1.00 0.00 C ATOM 1508 O THR A 97 4.723 -10.961 -5.678 1.00 0.00 O ATOM 1509 CB THR A 97 7.710 -11.015 -7.412 1.00 0.00 C ATOM 1510 OG1 THR A 97 9.020 -11.352 -7.003 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.462 -9.507 -7.312 1.00 0.00 C ATOM 0 H THR A 97 7.578 -13.341 -7.844 1.00 0.00 H new ATOM 0 HA THR A 97 7.002 -11.834 -5.554 1.00 0.00 H new ATOM 0 HB THR A 97 7.554 -11.229 -8.469 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.641 -11.218 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.202 -8.976 -7.911 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.463 -9.277 -7.682 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.545 -9.193 -6.272 1.00 0.00 H new ATOM 1519 N GLY A 98 4.612 -11.592 -7.829 1.00 0.00 N ATOM 1520 CA GLY A 98 3.223 -11.212 -8.036 1.00 0.00 C ATOM 1521 C GLY A 98 2.236 -11.898 -7.090 1.00 0.00 C ATOM 1522 O GLY A 98 1.177 -11.340 -6.807 1.00 0.00 O ATOM 0 H GLY A 98 5.041 -12.013 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.132 -10.132 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.944 -11.444 -9.064 1.00 0.00 H new ATOM 1526 N THR A 99 2.591 -13.077 -6.584 1.00 0.00 N ATOM 1527 CA THR A 99 1.816 -13.941 -5.693 1.00 0.00 C ATOM 1528 C THR A 99 2.324 -13.841 -4.240 1.00 0.00 C ATOM 1529 O THR A 99 1.682 -14.329 -3.304 1.00 0.00 O ATOM 1530 CB THR A 99 1.976 -15.369 -6.263 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.578 -15.368 -7.624 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.172 -16.450 -5.551 1.00 0.00 C ATOM 0 H THR A 99 3.499 -13.486 -6.803 1.00 0.00 H new ATOM 0 HA THR A 99 0.767 -13.648 -5.654 1.00 0.00 H new ATOM 0 HB THR A 99 3.028 -15.617 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.365 -15.247 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.355 -17.413 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.475 -16.500 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.110 -16.212 -5.610 1.00 0.00 H new ATOM 1540 N ASP A 100 3.460 -13.178 -4.037 1.00 0.00 N ATOM 1541 CA ASP A 100 4.177 -13.030 -2.781 1.00 0.00 C ATOM 1542 C ASP A 100 3.999 -11.654 -2.179 1.00 0.00 C ATOM 1543 O ASP A 100 4.137 -11.518 -0.971 1.00 0.00 O ATOM 1544 CB ASP A 100 5.673 -13.281 -2.988 1.00 0.00 C ATOM 1545 CG ASP A 100 6.046 -14.760 -3.115 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.353 -15.625 -2.526 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.068 -15.060 -3.780 1.00 0.00 O ATOM 0 H ASP A 100 3.934 -12.698 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 100 3.759 -13.766 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.998 -12.757 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.222 -12.849 -2.151 1.00 0.00 H new ATOM 1552 N LYS A 101 3.676 -10.619 -2.964 1.00 0.00 N ATOM 1553 CA LYS A 101 3.416 -9.292 -2.407 1.00 0.00 C ATOM 1554 C LYS A 101 2.459 -9.319 -1.225 1.00 0.00 C ATOM 1555 O LYS A 101 2.693 -8.611 -0.255 1.00 0.00 O ATOM 1556 CB LYS A 101 2.973 -8.301 -3.493 1.00 0.00 C ATOM 1557 CG LYS A 101 4.211 -7.779 -4.219 1.00 0.00 C ATOM 1558 CD LYS A 101 3.921 -6.751 -5.304 1.00 0.00 C ATOM 1559 CE LYS A 101 5.250 -6.034 -5.561 1.00 0.00 C ATOM 1560 NZ LYS A 101 5.105 -4.877 -6.452 1.00 0.00 N ATOM 0 H LYS A 101 3.590 -10.677 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 101 4.365 -8.933 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.300 -8.790 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.421 -7.474 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.886 -7.335 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.737 -8.622 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.554 -7.232 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.153 -6.048 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.671 -5.705 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.959 -6.737 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.936 -4.259 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.028 -5.204 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.248 -4.347 -6.196 1.00 0.00 H new ATOM 1574 N THR A 102 1.448 -10.183 -1.240 1.00 0.00 N ATOM 1575 CA THR A 102 0.533 -10.332 -0.121 1.00 0.00 C ATOM 1576 C THR A 102 1.235 -10.752 1.190 1.00 0.00 C ATOM 1577 O THR A 102 0.810 -10.325 2.264 1.00 0.00 O ATOM 1578 CB THR A 102 -0.561 -11.312 -0.551 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.680 -11.162 0.283 1.00 0.00 O ATOM 1580 CG2 THR A 102 -0.076 -12.760 -0.519 1.00 0.00 C ATOM 0 H THR A 102 1.243 -10.797 -2.028 1.00 0.00 H new ATOM 0 HA THR A 102 0.092 -9.365 0.121 1.00 0.00 H new ATOM 0 HB THR A 102 -0.831 -11.081 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.381 -11.789 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.884 -13.421 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.770 -12.875 -1.197 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.233 -13.018 0.494 1.00 0.00 H new ATOM 1588 N LEU A 103 2.295 -11.568 1.112 1.00 0.00 N ATOM 1589 CA LEU A 103 3.041 -12.137 2.232 1.00 0.00 C ATOM 1590 C LEU A 103 3.792 -11.045 2.960 1.00 0.00 C ATOM 1591 O LEU A 103 3.581 -10.797 4.142 1.00 0.00 O ATOM 1592 CB LEU A 103 4.067 -13.163 1.741 1.00 0.00 C ATOM 1593 CG LEU A 103 3.507 -14.486 1.214 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.681 -15.460 1.130 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.381 -15.090 2.070 1.00 0.00 C ATOM 0 H LEU A 103 2.673 -11.863 0.212 1.00 0.00 H new ATOM 0 HA LEU A 103 2.323 -12.620 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.659 -12.703 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.749 -13.384 2.562 1.00 0.00 H new ATOM 0 HG LEU A 103 3.046 -14.296 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.330 -16.422 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.436 -15.062 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.116 -15.592 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.045 -16.025 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.753 -15.283 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.546 -14.391 2.119 1.00 0.00 H new ATOM 1607 N VAL A 104 4.702 -10.394 2.249 1.00 0.00 N ATOM 1608 CA VAL A 104 5.430 -9.268 2.798 1.00 0.00 C ATOM 1609 C VAL A 104 4.425 -8.160 3.143 1.00 0.00 C ATOM 1610 O VAL A 104 4.641 -7.492 4.151 1.00 0.00 O ATOM 1611 CB VAL A 104 6.613 -8.905 1.876 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.285 -8.969 0.379 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.255 -7.555 2.223 1.00 0.00 C ATOM 0 H VAL A 104 4.951 -10.630 1.289 1.00 0.00 H new ATOM 0 HA VAL A 104 5.922 -9.494 3.744 1.00 0.00 H new ATOM 0 HB VAL A 104 7.344 -9.689 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.169 -8.700 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.974 -9.981 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.478 -8.272 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.080 -7.358 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.511 -6.764 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.631 -7.583 3.246 1.00 0.00 H new ATOM 1623 N LYS A 105 3.288 -8.017 2.436 1.00 0.00 N ATOM 1624 CA LYS A 105 2.283 -7.021 2.821 1.00 0.00 C ATOM 1625 C LYS A 105 1.743 -7.362 4.200 1.00 0.00 C ATOM 1626 O LYS A 105 1.579 -6.455 5.002 1.00 0.00 O ATOM 1627 CB LYS A 105 1.172 -6.894 1.762 1.00 0.00 C ATOM 1628 CG LYS A 105 -0.064 -6.067 2.180 1.00 0.00 C ATOM 1629 CD LYS A 105 -1.210 -6.905 2.788 1.00 0.00 C ATOM 1630 CE LYS A 105 -1.863 -7.809 1.730 1.00 0.00 C ATOM 1631 NZ LYS A 105 -2.185 -9.166 2.222 1.00 0.00 N ATOM 0 H LYS A 105 3.049 -8.569 1.612 1.00 0.00 H new ATOM 0 HA LYS A 105 2.751 -6.038 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.600 -6.445 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.840 -7.896 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.245 -5.314 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.442 -5.533 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.823 -7.516 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.961 -6.241 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.778 -7.335 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.194 -7.892 0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.674 -9.872 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.900 -9.251 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.208 -9.331 2.140 1.00 0.00 H new ATOM 1645 N GLU A 106 1.479 -8.636 4.506 1.00 0.00 N ATOM 1646 CA GLU A 106 1.006 -9.062 5.812 1.00 0.00 C ATOM 1647 C GLU A 106 1.969 -8.695 6.939 1.00 0.00 C ATOM 1648 O GLU A 106 1.523 -8.572 8.081 1.00 0.00 O ATOM 1649 CB GLU A 106 0.726 -10.566 5.775 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.628 -10.824 5.121 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.727 -10.697 6.170 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -1.941 -11.672 6.932 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.322 -9.602 6.271 1.00 0.00 O ATOM 0 H GLU A 106 1.591 -9.402 3.842 1.00 0.00 H new ATOM 0 HA GLU A 106 0.083 -8.526 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.512 -11.078 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.735 -10.972 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.796 -10.112 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.647 -11.819 4.677 1.00 0.00 H new ATOM 1660 N VAL A 107 3.265 -8.537 6.676 1.00 0.00 N ATOM 1661 CA VAL A 107 4.220 -8.093 7.684 1.00 0.00 C ATOM 1662 C VAL A 107 4.204 -6.558 7.695 1.00 0.00 C ATOM 1663 O VAL A 107 3.940 -5.933 8.721 1.00 0.00 O ATOM 1664 CB VAL A 107 5.620 -8.688 7.416 1.00 0.00 C ATOM 1665 CG1 VAL A 107 6.560 -8.328 8.577 1.00 0.00 C ATOM 1666 CG2 VAL A 107 5.582 -10.222 7.321 1.00 0.00 C ATOM 0 H VAL A 107 3.679 -8.713 5.761 1.00 0.00 H new ATOM 0 HA VAL A 107 3.942 -8.451 8.675 1.00 0.00 H new ATOM 0 HB VAL A 107 5.969 -8.275 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.548 -8.748 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.636 -7.244 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.163 -8.737 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.587 -10.600 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.209 -10.635 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.923 -10.520 6.505 1.00 0.00 H new ATOM 1676 N VAL A 108 4.412 -5.950 6.530 1.00 0.00 N ATOM 1677 CA VAL A 108 4.534 -4.524 6.254 1.00 0.00 C ATOM 1678 C VAL A 108 3.160 -3.803 6.273 1.00 0.00 C ATOM 1679 O VAL A 108 3.048 -2.707 5.740 1.00 0.00 O ATOM 1680 CB VAL A 108 5.364 -4.410 4.935 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.648 -2.993 4.418 1.00 0.00 C ATOM 1682 CG2 VAL A 108 6.754 -5.067 5.109 1.00 0.00 C ATOM 0 H VAL A 108 4.508 -6.497 5.675 1.00 0.00 H new ATOM 0 HA VAL A 108 5.068 -3.986 7.038 1.00 0.00 H new ATOM 0 HB VAL A 108 4.719 -4.907 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.231 -3.051 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.706 -2.483 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.210 -2.437 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.317 -4.978 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.295 -4.566 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.630 -6.121 5.358 1.00 0.00 H new ATOM 1692 N GLN A 109 2.118 -4.343 6.931 1.00 0.00 N ATOM 1693 CA GLN A 109 0.743 -3.806 6.963 1.00 0.00 C ATOM 1694 C GLN A 109 0.630 -2.305 7.286 1.00 0.00 C ATOM 1695 O GLN A 109 -0.389 -1.690 6.974 1.00 0.00 O ATOM 1696 CB GLN A 109 -0.137 -4.623 7.936 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.690 -5.939 7.354 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.855 -5.741 6.377 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -2.207 -4.619 6.021 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -2.559 -6.792 5.984 1.00 0.00 N ATOM 0 H GLN A 109 2.213 -5.199 7.477 1.00 0.00 H new ATOM 0 HA GLN A 109 0.382 -3.909 5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.447 -4.853 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.974 -4.003 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.115 -6.466 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.019 -6.578 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.279 -7.730 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.381 -6.664 5.394 1.00 0.00 H new ATOM 1709 N ASN A 110 1.621 -1.701 7.942 1.00 0.00 N ATOM 1710 CA ASN A 110 1.673 -0.270 8.220 1.00 0.00 C ATOM 1711 C ASN A 110 2.746 0.297 7.289 1.00 0.00 C ATOM 1712 O ASN A 110 3.922 0.380 7.648 1.00 0.00 O ATOM 1713 CB ASN A 110 1.901 -0.010 9.717 1.00 0.00 C ATOM 1714 CG ASN A 110 2.339 1.420 10.021 1.00 0.00 C ATOM 1715 OD1 ASN A 110 1.913 2.381 9.383 1.00 0.00 O ATOM 1716 ND2 ASN A 110 3.152 1.611 11.041 1.00 0.00 N ATOM 0 H ASN A 110 2.429 -2.208 8.303 1.00 0.00 H new ATOM 0 HA ASN A 110 0.731 0.240 8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 110 0.981 -0.224 10.260 1.00 0.00 H new ATOM 0 HB3 ASN A 110 2.658 -0.701 10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.429 2.557 11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.504 0.812 11.569 1.00 0.00 H new ATOM 1723 N PHE A 111 2.339 0.614 6.058 1.00 0.00 N ATOM 1724 CA PHE A 111 3.149 1.231 5.010 1.00 0.00 C ATOM 1725 C PHE A 111 2.244 2.123 4.158 1.00 0.00 C ATOM 1726 O PHE A 111 1.027 2.121 4.363 1.00 0.00 O ATOM 1727 CB PHE A 111 3.860 0.175 4.148 1.00 0.00 C ATOM 1728 CG PHE A 111 3.031 -0.478 3.046 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.842 -1.178 3.335 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.452 -0.364 1.706 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.081 -1.747 2.298 1.00 0.00 C ATOM 1732 CE2 PHE A 111 2.691 -0.932 0.669 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.503 -1.621 0.964 1.00 0.00 C ATOM 0 H PHE A 111 1.383 0.437 5.751 1.00 0.00 H new ATOM 0 HA PHE A 111 3.932 1.834 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.731 0.641 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.229 -0.610 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.513 -1.278 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.366 0.163 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.171 -2.281 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.020 -0.838 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.915 -2.053 0.167 1.00 0.00 H new ATOM 1743 N ALA A 112 2.809 2.860 3.196 1.00 0.00 N ATOM 1744 CA ALA A 112 2.050 3.807 2.391 1.00 0.00 C ATOM 1745 C ALA A 112 1.776 3.314 0.969 1.00 0.00 C ATOM 1746 O ALA A 112 0.607 3.259 0.584 1.00 0.00 O ATOM 1747 CB ALA A 112 2.755 5.162 2.422 1.00 0.00 C ATOM 0 H ALA A 112 3.800 2.813 2.959 1.00 0.00 H new ATOM 0 HA ALA A 112 1.058 3.913 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.194 5.878 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.814 5.518 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.761 5.058 2.016 1.00 0.00 H new ATOM 1753 N LYS A 113 2.806 3.040 0.162 1.00 0.00 N ATOM 1754 CA LYS A 113 2.685 2.597 -1.234 1.00 0.00 C ATOM 1755 C LYS A 113 3.816 1.639 -1.585 1.00 0.00 C ATOM 1756 O LYS A 113 4.723 1.434 -0.777 1.00 0.00 O ATOM 1757 CB LYS A 113 2.663 3.786 -2.229 1.00 0.00 C ATOM 1758 CG LYS A 113 1.291 4.459 -2.371 1.00 0.00 C ATOM 1759 CD LYS A 113 1.090 5.701 -1.488 1.00 0.00 C ATOM 1760 CE LYS A 113 -0.387 6.101 -1.369 1.00 0.00 C ATOM 1761 NZ LYS A 113 -1.229 5.030 -0.791 1.00 0.00 N ATOM 0 H LYS A 113 3.775 3.122 0.469 1.00 0.00 H new ATOM 0 HA LYS A 113 1.730 2.079 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.389 4.531 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.985 3.432 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.147 4.744 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.517 3.730 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.492 5.506 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.657 6.534 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.468 6.994 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.768 6.363 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.923 5.448 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.729 4.531 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.628 4.357 -0.273 1.00 0.00 H new ATOM 1775 N GLU A 114 3.763 1.056 -2.780 1.00 0.00 N ATOM 1776 CA GLU A 114 4.795 0.184 -3.316 1.00 0.00 C ATOM 1777 C GLU A 114 5.253 0.659 -4.694 1.00 0.00 C ATOM 1778 O GLU A 114 4.498 1.346 -5.387 1.00 0.00 O ATOM 1779 CB GLU A 114 4.345 -1.283 -3.309 1.00 0.00 C ATOM 1780 CG GLU A 114 3.067 -1.570 -4.114 1.00 0.00 C ATOM 1781 CD GLU A 114 2.875 -3.065 -4.367 1.00 0.00 C ATOM 1782 OE1 GLU A 114 2.763 -3.837 -3.390 1.00 0.00 O ATOM 1783 OE2 GLU A 114 2.820 -3.471 -5.556 1.00 0.00 O ATOM 0 H GLU A 114 2.977 1.183 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 114 5.665 0.240 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.153 -1.898 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.185 -1.594 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.204 -1.179 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.113 -1.044 -5.067 1.00 0.00 H new ATOM 1790 N PHE A 115 6.455 0.255 -5.120 1.00 0.00 N ATOM 1791 CA PHE A 115 7.062 0.704 -6.371 1.00 0.00 C ATOM 1792 C PHE A 115 7.702 -0.562 -6.980 1.00 0.00 C ATOM 1793 O PHE A 115 8.027 -1.506 -6.245 1.00 0.00 O ATOM 1794 CB PHE A 115 8.113 1.771 -5.976 1.00 0.00 C ATOM 1795 CG PHE A 115 8.567 2.800 -7.006 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.052 2.484 -8.289 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.463 4.159 -6.641 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.419 3.508 -9.185 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.829 5.179 -7.530 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.307 4.857 -8.807 1.00 0.00 C ATOM 0 H PHE A 115 7.037 -0.400 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 115 6.378 1.147 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.716 2.319 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.001 1.242 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.143 1.450 -8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.095 4.418 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.788 3.255 -10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.743 6.213 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.587 5.640 -9.496 1.00 0.00 H new ATOM 1810 N VAL A 116 7.893 -0.614 -8.297 1.00 0.00 N ATOM 1811 CA VAL A 116 8.569 -1.706 -8.998 1.00 0.00 C ATOM 1812 C VAL A 116 9.634 -1.051 -9.871 1.00 0.00 C ATOM 1813 O VAL A 116 9.327 -0.078 -10.560 1.00 0.00 O ATOM 1814 CB VAL A 116 7.586 -2.565 -9.816 1.00 0.00 C ATOM 1815 CG1 VAL A 116 8.300 -3.754 -10.480 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.461 -3.121 -8.931 1.00 0.00 C ATOM 0 H VAL A 116 7.573 0.123 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 116 9.022 -2.404 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 116 7.167 -1.911 -10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.578 -4.340 -11.049 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.076 -3.384 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.752 -4.382 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.784 -3.723 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.890 -3.741 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.909 -2.295 -8.483 1.00 0.00 H new ATOM 1826 N ILE A 117 10.867 -1.544 -9.794 1.00 0.00 N ATOM 1827 CA ILE A 117 12.048 -1.032 -10.475 1.00 0.00 C ATOM 1828 C ILE A 117 12.759 -2.235 -11.112 1.00 0.00 C ATOM 1829 O ILE A 117 12.654 -3.363 -10.620 1.00 0.00 O ATOM 1830 CB ILE A 117 12.908 -0.266 -9.449 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.205 1.031 -8.983 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.264 0.128 -10.031 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.888 1.041 -7.484 1.00 0.00 C ATOM 0 H ILE A 117 11.079 -2.360 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 117 11.816 -0.324 -11.271 1.00 0.00 H new ATOM 0 HB ILE A 117 13.048 -0.944 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.839 1.885 -9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.279 1.157 -9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.841 0.666 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.806 -0.769 -10.331 1.00 0.00 H new ATOM 0 HG23 ILE A 117 14.115 0.769 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.396 1.978 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.229 0.206 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.813 0.946 -6.916 1.00 0.00 H new ATOM 1845 N SER A 118 13.493 -1.978 -12.190 1.00 0.00 N ATOM 1846 CA SER A 118 14.186 -2.952 -13.014 1.00 0.00 C ATOM 1847 C SER A 118 15.463 -2.432 -13.667 1.00 0.00 C ATOM 1848 O SER A 118 16.207 -3.228 -14.243 1.00 0.00 O ATOM 1849 CB SER A 118 13.214 -3.355 -14.116 1.00 0.00 C ATOM 1850 OG SER A 118 12.741 -2.267 -14.910 1.00 0.00 O ATOM 0 H SER A 118 13.625 -1.025 -12.529 1.00 0.00 H new ATOM 0 HA SER A 118 14.493 -3.776 -12.370 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.702 -4.080 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.359 -3.858 -13.664 1.00 0.00 H new ATOM 0 HG SER A 118 12.491 -1.521 -14.326 1.00 0.00 H new ATOM 1856 N ASP A 119 15.718 -1.124 -13.600 1.00 0.00 N ATOM 1857 CA ASP A 119 16.853 -0.476 -14.246 1.00 0.00 C ATOM 1858 C ASP A 119 17.609 0.413 -13.252 1.00 0.00 C ATOM 1859 O ASP A 119 17.062 0.880 -12.252 1.00 0.00 O ATOM 1860 CB ASP A 119 16.351 0.295 -15.473 1.00 0.00 C ATOM 1861 CG ASP A 119 17.348 1.375 -15.870 1.00 0.00 C ATOM 1862 OD1 ASP A 119 18.493 1.038 -16.242 1.00 0.00 O ATOM 1863 OD2 ASP A 119 17.043 2.548 -15.578 1.00 0.00 O ATOM 0 H ASP A 119 15.126 -0.474 -13.083 1.00 0.00 H new ATOM 0 HA ASP A 119 17.570 -1.223 -14.587 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.201 -0.393 -16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.384 0.748 -15.255 1.00 0.00 H new ATOM 1868 N ARG A 120 18.898 0.646 -13.515 1.00 0.00 N ATOM 1869 CA ARG A 120 19.781 1.405 -12.645 1.00 0.00 C ATOM 1870 C ARG A 120 19.414 2.891 -12.628 1.00 0.00 C ATOM 1871 O ARG A 120 19.781 3.564 -11.665 1.00 0.00 O ATOM 1872 CB ARG A 120 21.237 1.088 -13.029 1.00 0.00 C ATOM 1873 CG ARG A 120 22.273 1.702 -12.069 1.00 0.00 C ATOM 1874 CD ARG A 120 22.922 2.947 -12.683 1.00 0.00 C ATOM 1875 NE ARG A 120 23.488 3.845 -11.659 1.00 0.00 N ATOM 1876 CZ ARG A 120 23.003 5.053 -11.337 1.00 0.00 C ATOM 1877 NH1 ARG A 120 21.872 5.480 -11.889 1.00 0.00 N ATOM 1878 NH2 ARG A 120 23.648 5.836 -10.476 1.00 0.00 N ATOM 0 H ARG A 120 19.360 0.303 -14.357 1.00 0.00 H new ATOM 0 HA ARG A 120 19.658 1.104 -11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.371 0.007 -13.052 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.426 1.454 -14.038 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.790 1.966 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 120 23.041 0.964 -11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.710 2.641 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.180 3.489 -13.269 1.00 0.00 H new ATOM 0 HE ARG A 120 24.314 3.521 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 120 21.375 4.889 -12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 120 21.501 6.398 -11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 120 24.521 5.519 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 120 23.270 6.753 -10.238 1.00 0.00 H new ATOM 1892 N LYS A 121 18.856 3.485 -13.688 1.00 0.00 N ATOM 1893 CA LYS A 121 18.397 4.864 -13.672 1.00 0.00 C ATOM 1894 C LYS A 121 17.073 4.888 -12.909 1.00 0.00 C ATOM 1895 O LYS A 121 16.908 5.738 -12.040 1.00 0.00 O ATOM 1896 CB LYS A 121 18.228 5.484 -15.078 1.00 0.00 C ATOM 1897 CG LYS A 121 19.535 5.881 -15.786 1.00 0.00 C ATOM 1898 CD LYS A 121 19.876 7.371 -15.616 1.00 0.00 C ATOM 1899 CE LYS A 121 20.220 7.652 -14.156 1.00 0.00 C ATOM 1900 NZ LYS A 121 20.655 9.035 -13.874 1.00 0.00 N ATOM 0 H LYS A 121 18.713 3.014 -14.582 1.00 0.00 H new ATOM 0 HA LYS A 121 19.157 5.477 -13.187 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.695 4.772 -15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.598 6.369 -14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 121 20.354 5.278 -15.392 1.00 0.00 H new ATOM 0 HG3 LYS A 121 19.452 5.651 -16.848 1.00 0.00 H new ATOM 0 HD2 LYS A 121 20.717 7.638 -16.256 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.031 7.986 -15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 121 19.347 7.429 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 121 21.010 6.968 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.850 9.137 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 21.518 9.245 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.903 9.699 -14.150 1.00 0.00 H new ATOM 1914 N GLU A 122 16.168 3.959 -13.224 1.00 0.00 N ATOM 1915 CA GLU A 122 14.852 3.769 -12.610 1.00 0.00 C ATOM 1916 C GLU A 122 14.941 3.592 -11.081 1.00 0.00 C ATOM 1917 O GLU A 122 13.989 3.861 -10.357 1.00 0.00 O ATOM 1918 CB GLU A 122 14.178 2.572 -13.301 1.00 0.00 C ATOM 1919 CG GLU A 122 12.689 2.368 -12.964 1.00 0.00 C ATOM 1920 CD GLU A 122 12.107 1.084 -13.577 1.00 0.00 C ATOM 1921 OE1 GLU A 122 12.856 0.101 -13.778 1.00 0.00 O ATOM 1922 OE2 GLU A 122 10.870 1.006 -13.761 1.00 0.00 O ATOM 0 H GLU A 122 16.346 3.276 -13.961 1.00 0.00 H new ATOM 0 HA GLU A 122 14.245 4.663 -12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 122 14.276 2.695 -14.380 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.721 1.666 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 122 12.568 2.335 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 122 12.120 3.226 -13.322 1.00 0.00 H new ATOM 1929 N LEU A 123 16.090 3.149 -10.575 1.00 0.00 N ATOM 1930 CA LEU A 123 16.376 2.948 -9.160 1.00 0.00 C ATOM 1931 C LEU A 123 16.725 4.240 -8.412 1.00 0.00 C ATOM 1932 O LEU A 123 16.636 4.272 -7.188 1.00 0.00 O ATOM 1933 CB LEU A 123 17.470 1.858 -9.081 1.00 0.00 C ATOM 1934 CG LEU A 123 17.777 1.146 -7.753 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.843 1.876 -6.945 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.535 0.796 -6.927 1.00 0.00 C ATOM 0 H LEU A 123 16.883 2.910 -11.170 1.00 0.00 H new ATOM 0 HA LEU A 123 15.480 2.614 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 123 17.206 1.087 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.400 2.312 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 123 18.198 0.180 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 123 19.027 1.337 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.766 1.928 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.500 2.885 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.839 0.297 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.992 1.709 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.890 0.133 -7.503 1.00 0.00 H new ATOM 1948 N GLU A 124 17.189 5.293 -9.086 1.00 0.00 N ATOM 1949 CA GLU A 124 17.625 6.511 -8.407 1.00 0.00 C ATOM 1950 C GLU A 124 16.522 7.349 -7.757 1.00 0.00 C ATOM 1951 O GLU A 124 15.584 7.801 -8.417 1.00 0.00 O ATOM 1952 CB GLU A 124 18.423 7.417 -9.355 1.00 0.00 C ATOM 1953 CG GLU A 124 19.692 6.702 -9.820 1.00 0.00 C ATOM 1954 CD GLU A 124 20.810 7.654 -10.234 1.00 0.00 C ATOM 1955 OE1 GLU A 124 20.787 8.078 -11.410 1.00 0.00 O ATOM 1956 OE2 GLU A 124 21.862 7.701 -9.569 1.00 0.00 O ATOM 0 H GLU A 124 17.272 5.326 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 124 18.244 6.134 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.811 7.685 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.684 8.346 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.052 6.059 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.447 6.054 -10.662 1.00 0.00 H new ATOM 1963 N GLU A 125 16.742 7.679 -6.478 1.00 0.00 N ATOM 1964 CA GLU A 125 15.895 8.548 -5.669 1.00 0.00 C ATOM 1965 C GLU A 125 15.599 9.907 -6.286 1.00 0.00 C ATOM 1966 O GLU A 125 14.681 10.591 -5.824 1.00 0.00 O ATOM 1967 CB GLU A 125 16.484 8.770 -4.265 1.00 0.00 C ATOM 1968 CG GLU A 125 16.170 7.633 -3.290 1.00 0.00 C ATOM 1969 CD GLU A 125 14.736 7.852 -2.771 1.00 0.00 C ATOM 1970 OE1 GLU A 125 14.552 8.755 -1.921 1.00 0.00 O ATOM 1971 OE2 GLU A 125 13.811 7.208 -3.307 1.00 0.00 O ATOM 0 H GLU A 125 17.550 7.330 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 125 14.951 8.006 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.565 8.882 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.096 9.705 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.254 6.667 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.881 7.629 -2.464 1.00 0.00 H new ATOM 1978 N ASP A 126 16.363 10.362 -7.286 1.00 0.00 N ATOM 1979 CA ASP A 126 16.104 11.698 -7.774 1.00 0.00 C ATOM 1980 C ASP A 126 14.734 11.832 -8.425 1.00 0.00 C ATOM 1981 O ASP A 126 13.896 12.594 -7.934 1.00 0.00 O ATOM 1982 CB ASP A 126 17.225 12.389 -8.540 1.00 0.00 C ATOM 1983 CG ASP A 126 16.904 13.890 -8.449 1.00 0.00 C ATOM 1984 OD1 ASP A 126 16.802 14.369 -7.284 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.685 14.505 -9.508 1.00 0.00 O ATOM 0 H ASP A 126 17.119 9.852 -7.743 1.00 0.00 H new ATOM 0 HA ASP A 126 16.080 12.289 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.198 12.166 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.259 12.055 -9.577 1.00 0.00 H new ATOM 1990 N PHE A 127 14.456 11.033 -9.462 1.00 0.00 N ATOM 1991 CA PHE A 127 13.141 11.152 -10.084 1.00 0.00 C ATOM 1992 C PHE A 127 12.090 10.444 -9.222 1.00 0.00 C ATOM 1993 O PHE A 127 10.927 10.857 -9.239 1.00 0.00 O ATOM 1994 CB PHE A 127 13.111 10.600 -11.514 1.00 0.00 C ATOM 1995 CG PHE A 127 12.947 9.100 -11.586 1.00 0.00 C ATOM 1996 CD1 PHE A 127 14.001 8.236 -11.244 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.667 8.574 -11.857 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.765 6.858 -11.186 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.439 7.191 -11.815 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.492 6.331 -11.475 1.00 0.00 C ATOM 0 H PHE A 127 15.084 10.338 -9.866 1.00 0.00 H new ATOM 0 HA PHE A 127 12.911 12.215 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.293 11.072 -12.058 1.00 0.00 H new ATOM 0 HB3 PHE A 127 14.035 10.880 -12.021 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.983 8.631 -11.028 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.854 9.243 -12.099 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.570 6.190 -10.916 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.461 6.792 -12.042 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.327 5.264 -11.435 1.00 0.00 H new ATOM 2010 N ILE A 128 12.493 9.435 -8.431 1.00 0.00 N ATOM 2011 CA ILE A 128 11.606 8.723 -7.510 1.00 0.00 C ATOM 2012 C ILE A 128 10.976 9.743 -6.567 1.00 0.00 C ATOM 2013 O ILE A 128 9.774 9.661 -6.336 1.00 0.00 O ATOM 2014 CB ILE A 128 12.308 7.588 -6.741 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.621 6.394 -7.667 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.490 7.122 -5.520 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.352 5.258 -6.947 1.00 0.00 C ATOM 0 H ILE A 128 13.453 9.092 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 128 10.832 8.224 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 128 13.249 7.995 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.690 6.012 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.230 6.739 -8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.024 6.321 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.349 7.959 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.518 6.757 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.545 4.447 -7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.298 5.627 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.735 4.890 -6.128 1.00 0.00 H new ATOM 2029 N LYS A 129 11.720 10.744 -6.070 1.00 0.00 N ATOM 2030 CA LYS A 129 11.122 11.779 -5.231 1.00 0.00 C ATOM 2031 C LYS A 129 9.914 12.409 -5.908 1.00 0.00 C ATOM 2032 O LYS A 129 8.865 12.513 -5.268 1.00 0.00 O ATOM 2033 CB LYS A 129 12.135 12.866 -4.827 1.00 0.00 C ATOM 2034 CG LYS A 129 13.024 12.468 -3.636 1.00 0.00 C ATOM 2035 CD LYS A 129 13.929 13.614 -3.143 1.00 0.00 C ATOM 2036 CE LYS A 129 14.761 14.307 -4.237 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.709 13.396 -4.903 1.00 0.00 N ATOM 0 H LYS A 129 12.721 10.853 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 129 10.792 11.283 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.770 13.095 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.595 13.779 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.391 12.135 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.646 11.620 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.306 14.363 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.608 13.220 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.089 14.732 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.312 15.137 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.027 13.819 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.530 13.237 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.240 12.488 -5.097 1.00 0.00 H new ATOM 2051 N SER A 130 10.041 12.883 -7.149 1.00 0.00 N ATOM 2052 CA SER A 130 8.914 13.518 -7.815 1.00 0.00 C ATOM 2053 C SER A 130 7.863 12.488 -8.255 1.00 0.00 C ATOM 2054 O SER A 130 6.706 12.869 -8.416 1.00 0.00 O ATOM 2055 CB SER A 130 9.365 14.447 -8.945 1.00 0.00 C ATOM 2056 OG SER A 130 8.332 15.380 -9.224 1.00 0.00 O ATOM 0 H SER A 130 10.898 12.839 -7.700 1.00 0.00 H new ATOM 0 HA SER A 130 8.419 14.161 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.277 14.971 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.598 13.867 -9.838 1.00 0.00 H new ATOM 0 HG SER A 130 7.460 14.951 -9.097 1.00 0.00 H new ATOM 2062 N GLU A 131 8.209 11.217 -8.466 1.00 0.00 N ATOM 2063 CA GLU A 131 7.237 10.173 -8.786 1.00 0.00 C ATOM 2064 C GLU A 131 6.378 9.972 -7.536 1.00 0.00 C ATOM 2065 O GLU A 131 5.154 10.088 -7.592 1.00 0.00 O ATOM 2066 CB GLU A 131 7.953 8.890 -9.252 1.00 0.00 C ATOM 2067 CG GLU A 131 7.088 7.620 -9.267 1.00 0.00 C ATOM 2068 CD GLU A 131 5.686 7.795 -9.851 1.00 0.00 C ATOM 2069 OE1 GLU A 131 5.571 8.501 -10.880 1.00 0.00 O ATOM 2070 OE2 GLU A 131 4.732 7.229 -9.266 1.00 0.00 O ATOM 0 H GLU A 131 9.172 10.883 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 131 6.593 10.456 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.342 9.056 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.811 8.717 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.609 6.851 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.995 7.250 -8.246 1.00 0.00 H new ATOM 2077 N LEU A 132 7.017 9.803 -6.375 1.00 0.00 N ATOM 2078 CA LEU A 132 6.356 9.682 -5.087 1.00 0.00 C ATOM 2079 C LEU A 132 5.510 10.922 -4.783 1.00 0.00 C ATOM 2080 O LEU A 132 4.577 10.805 -3.981 1.00 0.00 O ATOM 2081 CB LEU A 132 7.350 9.302 -3.974 1.00 0.00 C ATOM 2082 CG LEU A 132 7.839 7.839 -4.103 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.982 7.571 -3.129 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.740 6.806 -3.804 1.00 0.00 C ATOM 0 H LEU A 132 8.033 9.746 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 132 5.651 8.851 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.207 9.974 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.876 9.441 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 132 8.157 7.729 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.314 6.538 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.812 8.243 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.638 7.741 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.147 5.800 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.379 6.944 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.915 6.940 -4.503 1.00 0.00 H new ATOM 2096 N LYS A 133 5.811 12.092 -5.376 1.00 0.00 N ATOM 2097 CA LYS A 133 4.980 13.285 -5.215 1.00 0.00 C ATOM 2098 C LYS A 133 3.654 12.986 -5.921 1.00 0.00 C ATOM 2099 O LYS A 133 2.627 13.086 -5.260 1.00 0.00 O ATOM 2100 CB LYS A 133 5.601 14.589 -5.766 1.00 0.00 C ATOM 2101 CG LYS A 133 6.649 15.245 -4.853 1.00 0.00 C ATOM 2102 CD LYS A 133 6.885 16.732 -5.190 1.00 0.00 C ATOM 2103 CE LYS A 133 7.390 16.960 -6.625 1.00 0.00 C ATOM 2104 NZ LYS A 133 7.593 18.393 -6.941 1.00 0.00 N ATOM 0 H LYS A 133 6.628 12.230 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 133 4.860 13.477 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.063 14.375 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 133 4.801 15.306 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.326 15.159 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 133 7.591 14.703 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.954 17.281 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.609 17.146 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 133 8.330 16.425 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.674 16.535 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.933 18.488 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.692 18.902 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.296 18.796 -6.289 1.00 0.00 H new ATOM 2118 N LYS A 134 3.662 12.563 -7.201 1.00 0.00 N ATOM 2119 CA LYS A 134 2.443 12.203 -7.952 1.00 0.00 C ATOM 2120 C LYS A 134 1.637 11.164 -7.177 1.00 0.00 C ATOM 2121 O LYS A 134 0.426 11.300 -7.002 1.00 0.00 O ATOM 2122 CB LYS A 134 2.725 11.579 -9.336 1.00 0.00 C ATOM 2123 CG LYS A 134 3.777 12.223 -10.246 1.00 0.00 C ATOM 2124 CD LYS A 134 3.947 11.344 -11.499 1.00 0.00 C ATOM 2125 CE LYS A 134 5.346 11.474 -12.115 1.00 0.00 C ATOM 2126 NZ LYS A 134 5.699 10.261 -12.888 1.00 0.00 N ATOM 0 H LYS A 134 4.519 12.461 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 134 1.907 13.142 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.021 10.543 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 134 1.784 11.560 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.468 13.229 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.726 12.318 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.763 10.302 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.198 11.623 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.381 12.348 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.081 11.634 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.712 10.281 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.492 9.415 -12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.141 10.234 -13.765 1.00 0.00 H new ATOM 2140 N ALA A 135 2.319 10.109 -6.719 1.00 0.00 N ATOM 2141 CA ALA A 135 1.728 9.009 -5.971 1.00 0.00 C ATOM 2142 C ALA A 135 1.165 9.460 -4.614 1.00 0.00 C ATOM 2143 O ALA A 135 0.530 8.660 -3.924 1.00 0.00 O ATOM 2144 CB ALA A 135 2.773 7.903 -5.819 1.00 0.00 C ATOM 0 H ALA A 135 3.323 10.000 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 135 0.872 8.623 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.344 7.071 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.082 7.556 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.639 8.292 -5.283 1.00 0.00 H new