USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.047 USER MOD Single : A 5 SER OG : rot 25:sc= 0.157 USER MOD Single : A 6 SER OG : rot 26:sc= 0.308 USER MOD Single : A 8 ASN : amide:sc= -0.0354 K(o=-0.035,f=-0.69) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0961 X(o=-0.096,f=-0.42) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 0.00672 (180deg=-0.97) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.091 USER MOD Single : A 31 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 35 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 37 MET CE :methyl 141:sc= -4.73 (180deg=-9.45!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.0043) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0249) USER MOD Single : A 50 ASN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.701 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.989 16.675 2.133 1.00 0.00 N ATOM 2 CA GLY A 1 8.484 15.391 2.593 1.00 0.00 C ATOM 3 C GLY A 1 7.373 14.486 3.088 1.00 0.00 C ATOM 4 O GLY A 1 6.403 14.234 2.374 1.00 0.00 O ATOM 0 H1 GLY A 1 8.786 17.257 1.805 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.321 16.529 1.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.504 17.161 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.016 14.897 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.205 15.549 3.395 1.00 0.00 H new ATOM 8 N SER A 2 7.516 13.994 4.315 1.00 0.00 N ATOM 9 CA SER A 2 6.520 13.106 4.903 1.00 0.00 C ATOM 10 C SER A 2 5.703 13.835 5.966 1.00 0.00 C ATOM 11 O SER A 2 6.201 14.741 6.634 1.00 0.00 O ATOM 12 CB SER A 2 7.197 11.880 5.517 1.00 0.00 C ATOM 13 OG SER A 2 6.239 10.973 6.033 1.00 0.00 O ATOM 0 H SER A 2 8.312 14.195 4.921 1.00 0.00 H new ATOM 0 HA SER A 2 5.846 12.781 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.805 11.381 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.871 12.194 6.314 1.00 0.00 H new ATOM 0 HG SER A 2 6.697 10.197 6.418 1.00 0.00 H new ATOM 19 N SER A 3 4.445 13.433 6.116 1.00 0.00 N ATOM 20 CA SER A 3 3.557 14.050 7.094 1.00 0.00 C ATOM 21 C SER A 3 3.485 13.211 8.367 1.00 0.00 C ATOM 22 O SER A 3 4.056 13.572 9.395 1.00 0.00 O ATOM 23 CB SER A 3 2.156 14.223 6.505 1.00 0.00 C ATOM 24 OG SER A 3 1.170 14.221 7.522 1.00 0.00 O ATOM 0 H SER A 3 4.018 12.683 5.573 1.00 0.00 H new ATOM 0 HA SER A 3 3.961 15.030 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.106 15.158 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.954 13.419 5.797 1.00 0.00 H new ATOM 0 HG SER A 3 0.284 14.335 7.119 1.00 0.00 H new ATOM 30 N GLY A 4 2.777 12.088 8.289 1.00 0.00 N ATOM 31 CA GLY A 4 2.642 11.215 9.440 1.00 0.00 C ATOM 32 C GLY A 4 1.249 10.630 9.564 1.00 0.00 C ATOM 33 O GLY A 4 0.519 10.533 8.577 1.00 0.00 O ATOM 0 H GLY A 4 2.295 11.768 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.367 10.405 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.880 11.773 10.345 1.00 0.00 H new ATOM 37 N SER A 5 0.879 10.237 10.779 1.00 0.00 N ATOM 38 CA SER A 5 -0.434 9.653 11.027 1.00 0.00 C ATOM 39 C SER A 5 -1.207 10.472 12.055 1.00 0.00 C ATOM 40 O SER A 5 -0.697 10.780 13.132 1.00 0.00 O ATOM 41 CB SER A 5 -0.289 8.209 11.513 1.00 0.00 C ATOM 42 OG SER A 5 0.471 8.147 12.707 1.00 0.00 O ATOM 0 H SER A 5 1.470 10.312 11.607 1.00 0.00 H new ATOM 0 HA SER A 5 -0.991 9.660 10.090 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.276 7.779 11.684 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.192 7.609 10.741 1.00 0.00 H new ATOM 0 HG SER A 5 0.403 9.001 13.182 1.00 0.00 H new ATOM 48 N SER A 6 -2.443 10.823 11.714 1.00 0.00 N ATOM 49 CA SER A 6 -3.288 11.611 12.604 1.00 0.00 C ATOM 50 C SER A 6 -4.700 11.739 12.041 1.00 0.00 C ATOM 51 O SER A 6 -4.893 12.200 10.918 1.00 0.00 O ATOM 52 CB SER A 6 -2.684 13.000 12.818 1.00 0.00 C ATOM 53 OG SER A 6 -2.655 13.735 11.607 1.00 0.00 O ATOM 0 H SER A 6 -2.882 10.574 10.827 1.00 0.00 H new ATOM 0 HA SER A 6 -3.344 11.095 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.266 13.543 13.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.673 12.903 13.213 1.00 0.00 H new ATOM 0 HG SER A 6 -3.357 13.406 11.008 1.00 0.00 H new ATOM 59 N GLY A 7 -5.686 11.326 12.833 1.00 0.00 N ATOM 60 CA GLY A 7 -7.068 11.402 12.398 1.00 0.00 C ATOM 61 C GLY A 7 -7.961 10.421 13.130 1.00 0.00 C ATOM 62 O GLY A 7 -7.617 9.249 13.279 1.00 0.00 O ATOM 0 H GLY A 7 -5.552 10.940 13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.440 12.414 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.120 11.206 11.327 1.00 0.00 H new ATOM 66 N ASN A 8 -9.112 10.901 13.591 1.00 0.00 N ATOM 67 CA ASN A 8 -10.057 10.058 14.315 1.00 0.00 C ATOM 68 C ASN A 8 -11.463 10.202 13.743 1.00 0.00 C ATOM 69 O ASN A 8 -11.664 10.848 12.715 1.00 0.00 O ATOM 70 CB ASN A 8 -10.060 10.420 15.802 1.00 0.00 C ATOM 71 CG ASN A 8 -10.471 11.859 16.046 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.755 12.792 15.681 1.00 0.00 O ATOM 73 ND2 ASN A 8 -11.630 12.046 16.666 1.00 0.00 N ATOM 0 H ASN A 8 -9.413 11.869 13.476 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.742 9.021 14.201 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.741 9.755 16.334 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.065 10.254 16.216 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.959 12.992 16.857 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.191 11.243 16.951 1.00 0.00 H new ATOM 80 N GLY A 9 -12.436 9.594 14.416 1.00 0.00 N ATOM 81 CA GLY A 9 -13.811 9.667 13.960 1.00 0.00 C ATOM 82 C GLY A 9 -14.018 8.973 12.628 1.00 0.00 C ATOM 83 O GLY A 9 -13.082 8.409 12.063 1.00 0.00 O ATOM 0 H GLY A 9 -12.296 9.052 15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.463 9.214 14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.106 10.713 13.871 1.00 0.00 H new ATOM 87 N MET A 10 -15.248 9.013 12.126 1.00 0.00 N ATOM 88 CA MET A 10 -15.574 8.383 10.852 1.00 0.00 C ATOM 89 C MET A 10 -15.282 6.886 10.896 1.00 0.00 C ATOM 90 O MET A 10 -15.053 6.259 9.862 1.00 0.00 O ATOM 91 CB MET A 10 -14.781 9.036 9.718 1.00 0.00 C ATOM 92 CG MET A 10 -14.951 10.545 9.648 1.00 0.00 C ATOM 93 SD MET A 10 -15.954 11.067 8.244 1.00 0.00 S ATOM 94 CE MET A 10 -17.505 11.441 9.056 1.00 0.00 C ATOM 0 H MET A 10 -16.035 9.475 12.582 1.00 0.00 H new ATOM 0 HA MET A 10 -16.639 8.523 10.668 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.724 8.803 9.844 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.093 8.599 8.769 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.413 10.898 10.570 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.969 11.015 9.583 1.00 0.00 H new ATOM 0 HE1 MET A 10 -18.231 11.779 8.316 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.881 10.546 9.551 1.00 0.00 H new ATOM 0 HE3 MET A 10 -17.348 12.226 9.795 1.00 0.00 H new ATOM 104 N ASP A 11 -15.292 6.321 12.098 1.00 0.00 N ATOM 105 CA ASP A 11 -15.030 4.898 12.276 1.00 0.00 C ATOM 106 C ASP A 11 -15.953 4.061 11.396 1.00 0.00 C ATOM 107 O ASP A 11 -15.550 3.027 10.864 1.00 0.00 O ATOM 108 CB ASP A 11 -15.207 4.504 13.743 1.00 0.00 C ATOM 109 CG ASP A 11 -14.342 5.331 14.673 1.00 0.00 C ATOM 110 OD1 ASP A 11 -13.132 5.464 14.395 1.00 0.00 O ATOM 111 OD2 ASP A 11 -14.874 5.845 15.679 1.00 0.00 O ATOM 0 H ASP A 11 -15.479 6.827 12.964 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.000 4.704 11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.253 4.622 14.024 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.961 3.449 13.865 1.00 0.00 H new ATOM 116 N GLU A 12 -17.194 4.514 11.250 1.00 0.00 N ATOM 117 CA GLU A 12 -18.175 3.805 10.436 1.00 0.00 C ATOM 118 C GLU A 12 -17.654 3.595 9.017 1.00 0.00 C ATOM 119 O GLU A 12 -17.993 2.610 8.361 1.00 0.00 O ATOM 120 CB GLU A 12 -19.494 4.580 10.398 1.00 0.00 C ATOM 121 CG GLU A 12 -20.175 4.690 11.751 1.00 0.00 C ATOM 122 CD GLU A 12 -20.590 3.342 12.307 1.00 0.00 C ATOM 123 OE1 GLU A 12 -20.791 2.406 11.504 1.00 0.00 O ATOM 124 OE2 GLU A 12 -20.715 3.222 13.544 1.00 0.00 O ATOM 0 H GLU A 12 -17.544 5.368 11.684 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.349 2.829 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.306 5.582 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.172 4.092 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.500 5.177 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.054 5.328 11.660 1.00 0.00 H new ATOM 131 N GLU A 13 -16.830 4.527 8.551 1.00 0.00 N ATOM 132 CA GLU A 13 -16.264 4.444 7.210 1.00 0.00 C ATOM 133 C GLU A 13 -14.961 3.650 7.217 1.00 0.00 C ATOM 134 O GLU A 13 -14.582 3.051 6.211 1.00 0.00 O ATOM 135 CB GLU A 13 -16.016 5.846 6.649 1.00 0.00 C ATOM 136 CG GLU A 13 -15.238 5.851 5.344 1.00 0.00 C ATOM 137 CD GLU A 13 -15.662 6.973 4.416 1.00 0.00 C ATOM 138 OE1 GLU A 13 -16.877 7.108 4.164 1.00 0.00 O ATOM 139 OE2 GLU A 13 -14.777 7.715 3.941 1.00 0.00 O ATOM 0 H GLU A 13 -16.539 5.348 9.082 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.981 3.927 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.975 6.340 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.472 6.433 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.174 5.946 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.377 4.895 4.839 1.00 0.00 H new ATOM 146 N GLN A 14 -14.280 3.651 8.359 1.00 0.00 N ATOM 147 CA GLN A 14 -13.019 2.932 8.497 1.00 0.00 C ATOM 148 C GLN A 14 -13.240 1.425 8.414 1.00 0.00 C ATOM 149 O GLN A 14 -12.403 0.694 7.886 1.00 0.00 O ATOM 150 CB GLN A 14 -12.347 3.289 9.824 1.00 0.00 C ATOM 151 CG GLN A 14 -11.967 4.756 9.938 1.00 0.00 C ATOM 152 CD GLN A 14 -11.078 5.037 11.134 1.00 0.00 C ATOM 153 OE1 GLN A 14 -11.365 4.606 12.251 1.00 0.00 O ATOM 154 NE2 GLN A 14 -9.990 5.763 10.905 1.00 0.00 N ATOM 0 H GLN A 14 -14.580 4.141 9.201 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.367 3.231 7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.019 3.032 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.451 2.680 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.454 5.066 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.873 5.357 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.791 6.100 9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.354 5.984 11.671 1.00 0.00 H new ATOM 163 N ARG A 15 -14.372 0.968 8.940 1.00 0.00 N ATOM 164 CA ARG A 15 -14.701 -0.452 8.927 1.00 0.00 C ATOM 165 C ARG A 15 -14.596 -1.021 7.515 1.00 0.00 C ATOM 166 O ARG A 15 -14.071 -2.116 7.315 1.00 0.00 O ATOM 167 CB ARG A 15 -16.112 -0.675 9.474 1.00 0.00 C ATOM 168 CG ARG A 15 -16.166 -0.796 10.989 1.00 0.00 C ATOM 169 CD ARG A 15 -17.583 -0.621 11.511 1.00 0.00 C ATOM 170 NE ARG A 15 -17.684 -0.932 12.935 1.00 0.00 N ATOM 171 CZ ARG A 15 -18.838 -1.074 13.577 1.00 0.00 C ATOM 172 NH1 ARG A 15 -19.984 -0.935 12.925 1.00 0.00 N ATOM 173 NH2 ARG A 15 -18.847 -1.356 14.873 1.00 0.00 N ATOM 0 H ARG A 15 -15.076 1.560 9.380 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.985 -0.971 9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.749 0.152 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.526 -1.581 9.031 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.783 -1.771 11.291 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.516 -0.045 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.908 0.405 11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.258 -1.267 10.950 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.820 -1.046 13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.981 -0.719 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.869 -1.045 13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.967 -1.464 15.378 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.734 -1.465 15.365 1.00 0.00 H new ATOM 187 N GLN A 16 -15.100 -0.271 6.541 1.00 0.00 N ATOM 188 CA GLN A 16 -15.063 -0.702 5.148 1.00 0.00 C ATOM 189 C GLN A 16 -13.626 -0.817 4.652 1.00 0.00 C ATOM 190 O GLN A 16 -13.332 -1.593 3.742 1.00 0.00 O ATOM 191 CB GLN A 16 -15.843 0.277 4.269 1.00 0.00 C ATOM 192 CG GLN A 16 -17.351 0.115 4.367 1.00 0.00 C ATOM 193 CD GLN A 16 -18.066 0.517 3.092 1.00 0.00 C ATOM 194 OE1 GLN A 16 -18.162 1.701 2.767 1.00 0.00 O ATOM 195 NE2 GLN A 16 -18.571 -0.469 2.360 1.00 0.00 N ATOM 0 H GLN A 16 -15.539 0.638 6.690 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.529 -1.686 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.577 1.296 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.538 0.142 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.587 -0.924 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.724 0.719 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.468 -1.436 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.062 -0.259 1.491 1.00 0.00 H new ATOM 204 N LYS A 17 -12.733 -0.039 5.254 1.00 0.00 N ATOM 205 CA LYS A 17 -11.325 -0.053 4.875 1.00 0.00 C ATOM 206 C LYS A 17 -10.578 -1.170 5.596 1.00 0.00 C ATOM 207 O LYS A 17 -9.679 -1.794 5.031 1.00 0.00 O ATOM 208 CB LYS A 17 -10.677 1.296 5.193 1.00 0.00 C ATOM 209 CG LYS A 17 -11.176 2.433 4.317 1.00 0.00 C ATOM 210 CD LYS A 17 -11.063 3.773 5.025 1.00 0.00 C ATOM 211 CE LYS A 17 -11.429 4.924 4.100 1.00 0.00 C ATOM 212 NZ LYS A 17 -11.605 6.200 4.846 1.00 0.00 N ATOM 0 H LYS A 17 -12.960 0.610 6.007 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.265 -0.234 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.867 1.543 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.597 1.207 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.601 2.460 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.215 2.252 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.718 3.782 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.045 3.908 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.650 5.047 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.350 4.684 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.427 6.713 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.759 5.995 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.752 6.785 4.739 1.00 0.00 H new ATOM 226 N ARG A 18 -10.958 -1.419 6.845 1.00 0.00 N ATOM 227 CA ARG A 18 -10.324 -2.462 7.643 1.00 0.00 C ATOM 228 C ARG A 18 -10.352 -3.800 6.910 1.00 0.00 C ATOM 229 O ARG A 18 -9.433 -4.608 7.037 1.00 0.00 O ATOM 230 CB ARG A 18 -11.023 -2.595 8.997 1.00 0.00 C ATOM 231 CG ARG A 18 -10.809 -1.400 9.912 1.00 0.00 C ATOM 232 CD ARG A 18 -9.333 -1.182 10.207 1.00 0.00 C ATOM 233 NE ARG A 18 -9.120 -0.589 11.525 1.00 0.00 N ATOM 234 CZ ARG A 18 -7.963 -0.638 12.175 1.00 0.00 C ATOM 235 NH1 ARG A 18 -6.920 -1.250 11.632 1.00 0.00 N ATOM 236 NH2 ARG A 18 -7.848 -0.074 13.370 1.00 0.00 N ATOM 0 H ARG A 18 -11.702 -0.913 7.326 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.284 -2.178 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.092 -2.730 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.662 -3.494 9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.224 -0.506 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.349 -1.554 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.807 -2.135 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.903 -0.534 9.444 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.903 -0.111 11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.005 -1.684 10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.032 -1.286 12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.649 0.398 13.790 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.959 -0.112 13.869 1.00 0.00 H new ATOM 250 N ARG A 19 -11.415 -4.027 6.144 1.00 0.00 N ATOM 251 CA ARG A 19 -11.565 -5.267 5.393 1.00 0.00 C ATOM 252 C ARG A 19 -10.621 -5.294 4.194 1.00 0.00 C ATOM 253 O ARG A 19 -10.057 -6.336 3.858 1.00 0.00 O ATOM 254 CB ARG A 19 -13.011 -5.432 4.922 1.00 0.00 C ATOM 255 CG ARG A 19 -14.002 -5.634 6.056 1.00 0.00 C ATOM 256 CD ARG A 19 -13.976 -7.066 6.568 1.00 0.00 C ATOM 257 NE ARG A 19 -14.918 -7.271 7.666 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.348 -8.467 8.051 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.923 -9.560 7.431 1.00 0.00 N ATOM 260 NH2 ARG A 19 -16.205 -8.573 9.058 1.00 0.00 N ATOM 0 H ARG A 19 -12.185 -3.368 6.028 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.309 -6.096 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.301 -4.550 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.068 -6.284 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.768 -4.950 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.006 -5.387 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.216 -7.747 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.969 -7.313 6.903 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.264 -6.451 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.264 -9.483 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.255 -10.477 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.535 -7.735 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.534 -9.492 9.353 1.00 0.00 H new ATOM 274 N ARG A 20 -10.455 -4.142 3.553 1.00 0.00 N ATOM 275 CA ARG A 20 -9.582 -4.034 2.390 1.00 0.00 C ATOM 276 C ARG A 20 -8.131 -4.315 2.772 1.00 0.00 C ATOM 277 O ARG A 20 -7.379 -4.905 1.996 1.00 0.00 O ATOM 278 CB ARG A 20 -9.695 -2.640 1.768 1.00 0.00 C ATOM 279 CG ARG A 20 -11.092 -2.308 1.269 1.00 0.00 C ATOM 280 CD ARG A 20 -11.217 -0.838 0.900 1.00 0.00 C ATOM 281 NE ARG A 20 -10.595 -0.543 -0.388 1.00 0.00 N ATOM 282 CZ ARG A 20 -11.135 -0.871 -1.557 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.301 -1.501 -1.599 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.509 -0.568 -2.686 1.00 0.00 N ATOM 0 H ARG A 20 -10.913 -3.270 3.819 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.899 -4.778 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.396 -1.896 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.994 -2.564 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.325 -2.923 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.823 -2.554 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.271 -0.561 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.752 -0.229 1.675 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.697 -0.059 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.786 -1.735 -0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.713 -1.752 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.612 -0.083 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.924 -0.820 -3.583 1.00 0.00 H new ATOM 298 N ILE A 21 -7.747 -3.889 3.970 1.00 0.00 N ATOM 299 CA ILE A 21 -6.388 -4.096 4.454 1.00 0.00 C ATOM 300 C ILE A 21 -6.156 -5.554 4.835 1.00 0.00 C ATOM 301 O ILE A 21 -5.093 -6.114 4.567 1.00 0.00 O ATOM 302 CB ILE A 21 -6.082 -3.205 5.672 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.273 -1.730 5.313 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.666 -3.455 6.169 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.372 -0.822 6.519 1.00 0.00 C ATOM 0 H ILE A 21 -8.358 -3.398 4.623 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.718 -3.825 3.638 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.777 -3.458 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.439 -1.405 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.177 -1.625 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.465 -2.818 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.561 -4.501 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.956 -3.226 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.506 0.208 6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.223 -1.121 7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.458 -0.898 7.108 1.00 0.00 H new ATOM 317 N GLU A 22 -7.159 -6.164 5.460 1.00 0.00 N ATOM 318 CA GLU A 22 -7.063 -7.558 5.876 1.00 0.00 C ATOM 319 C GLU A 22 -6.740 -8.460 4.688 1.00 0.00 C ATOM 320 O GLU A 22 -5.671 -9.067 4.628 1.00 0.00 O ATOM 321 CB GLU A 22 -8.371 -8.008 6.531 1.00 0.00 C ATOM 322 CG GLU A 22 -8.426 -7.742 8.026 1.00 0.00 C ATOM 323 CD GLU A 22 -7.724 -8.814 8.836 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.925 -10.010 8.539 1.00 0.00 O ATOM 325 OE2 GLU A 22 -6.973 -8.456 9.768 1.00 0.00 O ATOM 0 H GLU A 22 -8.046 -5.715 5.689 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.254 -7.639 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.204 -7.496 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.507 -9.075 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.968 -6.775 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.467 -7.677 8.342 1.00 0.00 H new ATOM 332 N VAL A 23 -7.673 -8.542 3.744 1.00 0.00 N ATOM 333 CA VAL A 23 -7.488 -9.369 2.557 1.00 0.00 C ATOM 334 C VAL A 23 -6.167 -9.052 1.867 1.00 0.00 C ATOM 335 O VAL A 23 -5.397 -9.952 1.533 1.00 0.00 O ATOM 336 CB VAL A 23 -8.639 -9.174 1.553 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.445 -10.068 0.338 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.979 -9.448 2.219 1.00 0.00 C ATOM 0 H VAL A 23 -8.564 -8.046 3.778 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.479 -10.406 2.892 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.632 -8.137 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.268 -9.916 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.503 -9.818 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.424 -11.111 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.781 -9.305 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.000 -10.474 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.118 -8.761 3.054 1.00 0.00 H new ATOM 348 N ALA A 24 -5.909 -7.765 1.656 1.00 0.00 N ATOM 349 CA ALA A 24 -4.679 -7.328 1.008 1.00 0.00 C ATOM 350 C ALA A 24 -3.453 -7.871 1.734 1.00 0.00 C ATOM 351 O ALA A 24 -2.548 -8.430 1.112 1.00 0.00 O ATOM 352 CB ALA A 24 -4.627 -5.809 0.944 1.00 0.00 C ATOM 0 H ALA A 24 -6.536 -7.007 1.925 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.672 -7.724 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.703 -5.497 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.480 -5.439 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.661 -5.401 1.954 1.00 0.00 H new ATOM 358 N LEU A 25 -3.429 -7.703 3.051 1.00 0.00 N ATOM 359 CA LEU A 25 -2.312 -8.177 3.862 1.00 0.00 C ATOM 360 C LEU A 25 -2.093 -9.674 3.667 1.00 0.00 C ATOM 361 O LEU A 25 -0.978 -10.117 3.390 1.00 0.00 O ATOM 362 CB LEU A 25 -2.566 -7.876 5.340 1.00 0.00 C ATOM 363 CG LEU A 25 -2.113 -6.501 5.833 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.479 -6.311 7.296 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.614 -6.330 5.630 1.00 0.00 C ATOM 0 H LEU A 25 -4.169 -7.243 3.580 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.413 -7.652 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.634 -7.975 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.064 -8.637 5.937 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.629 -5.739 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.149 -5.327 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.560 -6.390 7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.991 -7.079 7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.309 -5.346 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.081 -7.100 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.378 -6.422 4.570 1.00 0.00 H new ATOM 377 N ILE A 26 -3.164 -10.447 3.811 1.00 0.00 N ATOM 378 CA ILE A 26 -3.089 -11.893 3.646 1.00 0.00 C ATOM 379 C ILE A 26 -2.464 -12.263 2.306 1.00 0.00 C ATOM 380 O ILE A 26 -1.443 -12.948 2.254 1.00 0.00 O ATOM 381 CB ILE A 26 -4.481 -12.544 3.748 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.123 -12.219 5.098 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.378 -14.049 3.553 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.620 -12.438 5.124 1.00 0.00 C ATOM 0 H ILE A 26 -4.094 -10.096 4.042 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.460 -12.270 4.453 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.114 -12.138 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.660 -12.835 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.912 -11.180 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.370 -14.494 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.959 -14.261 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.731 -14.472 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.007 -12.188 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.094 -11.802 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.839 -13.483 4.903 1.00 0.00 H new ATOM 396 N GLU A 27 -3.083 -11.802 1.223 1.00 0.00 N ATOM 397 CA GLU A 27 -2.586 -12.084 -0.118 1.00 0.00 C ATOM 398 C GLU A 27 -1.113 -11.703 -0.244 1.00 0.00 C ATOM 399 O GLU A 27 -0.317 -12.443 -0.822 1.00 0.00 O ATOM 400 CB GLU A 27 -3.410 -11.326 -1.161 1.00 0.00 C ATOM 401 CG GLU A 27 -4.818 -11.870 -1.337 1.00 0.00 C ATOM 402 CD GLU A 27 -4.832 -13.330 -1.747 1.00 0.00 C ATOM 403 OE1 GLU A 27 -4.773 -13.606 -2.963 1.00 0.00 O ATOM 404 OE2 GLU A 27 -4.903 -14.197 -0.850 1.00 0.00 O ATOM 0 H GLU A 27 -3.929 -11.232 1.249 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.683 -13.155 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.468 -10.276 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.892 -11.365 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.368 -11.753 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.340 -11.280 -2.090 1.00 0.00 H new ATOM 411 N TYR A 28 -0.759 -10.545 0.301 1.00 0.00 N ATOM 412 CA TYR A 28 0.616 -10.064 0.248 1.00 0.00 C ATOM 413 C TYR A 28 1.559 -11.032 0.957 1.00 0.00 C ATOM 414 O TYR A 28 2.552 -11.481 0.383 1.00 0.00 O ATOM 415 CB TYR A 28 0.718 -8.677 0.885 1.00 0.00 C ATOM 416 CG TYR A 28 2.051 -8.001 0.653 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.642 -7.999 -0.605 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.719 -7.365 1.692 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.859 -7.383 -0.820 1.00 0.00 C ATOM 420 CE2 TYR A 28 3.936 -6.745 1.485 1.00 0.00 C ATOM 421 CZ TYR A 28 4.503 -6.757 0.227 1.00 0.00 C ATOM 422 OH TYR A 28 5.715 -6.142 0.016 1.00 0.00 O ATOM 0 H TYR A 28 -1.405 -9.922 0.785 1.00 0.00 H new ATOM 0 HA TYR A 28 0.911 -9.998 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.075 -8.044 0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.547 -8.766 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.141 -8.487 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.279 -7.355 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.305 -7.391 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.441 -6.253 2.303 1.00 0.00 H new ATOM 0 HH TYR A 28 5.811 -5.387 0.634 1.00 0.00 H new ATOM 432 N ARG A 29 1.241 -11.349 2.207 1.00 0.00 N ATOM 433 CA ARG A 29 2.059 -12.263 2.995 1.00 0.00 C ATOM 434 C ARG A 29 2.311 -13.561 2.234 1.00 0.00 C ATOM 435 O ARG A 29 3.453 -13.997 2.093 1.00 0.00 O ATOM 436 CB ARG A 29 1.379 -12.567 4.332 1.00 0.00 C ATOM 437 CG ARG A 29 2.352 -12.925 5.443 1.00 0.00 C ATOM 438 CD ARG A 29 1.657 -13.665 6.575 1.00 0.00 C ATOM 439 NE ARG A 29 2.570 -14.553 7.290 1.00 0.00 N ATOM 440 CZ ARG A 29 2.175 -15.426 8.211 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.892 -15.527 8.526 1.00 0.00 N ATOM 442 NH2 ARG A 29 3.066 -16.200 8.817 1.00 0.00 N ATOM 0 H ARG A 29 0.423 -10.987 2.696 1.00 0.00 H new ATOM 0 HA ARG A 29 3.018 -11.781 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.795 -11.699 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.679 -13.391 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.154 -13.544 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.814 -12.017 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.232 -12.943 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.827 -14.246 6.173 1.00 0.00 H new ATOM 0 HE ARG A 29 3.565 -14.500 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.205 -14.934 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.592 -16.198 9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.054 -16.125 8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.763 -16.870 9.524 1.00 0.00 H new ATOM 456 N GLU A 30 1.237 -14.174 1.747 1.00 0.00 N ATOM 457 CA GLU A 30 1.342 -15.423 1.001 1.00 0.00 C ATOM 458 C GLU A 30 2.276 -15.265 -0.195 1.00 0.00 C ATOM 459 O GLU A 30 3.181 -16.074 -0.403 1.00 0.00 O ATOM 460 CB GLU A 30 -0.039 -15.878 0.527 1.00 0.00 C ATOM 461 CG GLU A 30 -1.033 -16.086 1.658 1.00 0.00 C ATOM 462 CD GLU A 30 -2.460 -16.223 1.163 1.00 0.00 C ATOM 463 OE1 GLU A 30 -2.673 -16.137 -0.065 1.00 0.00 O ATOM 464 OE2 GLU A 30 -3.363 -16.417 2.003 1.00 0.00 O ATOM 0 H GLU A 30 0.284 -13.826 1.855 1.00 0.00 H new ATOM 0 HA GLU A 30 1.757 -16.180 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.439 -15.137 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.066 -16.810 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.759 -16.980 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.971 -15.246 2.350 1.00 0.00 H new ATOM 471 N THR A 31 2.051 -14.216 -0.980 1.00 0.00 N ATOM 472 CA THR A 31 2.869 -13.952 -2.157 1.00 0.00 C ATOM 473 C THR A 31 4.351 -13.918 -1.799 1.00 0.00 C ATOM 474 O THR A 31 5.177 -14.533 -2.474 1.00 0.00 O ATOM 475 CB THR A 31 2.482 -12.618 -2.822 1.00 0.00 C ATOM 476 OG1 THR A 31 1.076 -12.593 -3.088 1.00 0.00 O ATOM 477 CG2 THR A 31 3.253 -12.416 -4.119 1.00 0.00 C ATOM 0 H THR A 31 1.308 -13.535 -0.822 1.00 0.00 H new ATOM 0 HA THR A 31 2.686 -14.765 -2.859 1.00 0.00 H new ATOM 0 HB THR A 31 2.736 -11.809 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.601 -12.242 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.963 -11.467 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.322 -12.406 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.026 -13.230 -4.808 1.00 0.00 H new ATOM 485 N LEU A 32 4.681 -13.196 -0.734 1.00 0.00 N ATOM 486 CA LEU A 32 6.064 -13.083 -0.285 1.00 0.00 C ATOM 487 C LEU A 32 6.625 -14.447 0.102 1.00 0.00 C ATOM 488 O LEU A 32 7.749 -14.792 -0.261 1.00 0.00 O ATOM 489 CB LEU A 32 6.159 -12.124 0.903 1.00 0.00 C ATOM 490 CG LEU A 32 5.750 -10.676 0.631 1.00 0.00 C ATOM 491 CD1 LEU A 32 6.026 -9.806 1.847 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.480 -10.136 -0.590 1.00 0.00 C ATOM 0 H LEU A 32 4.010 -12.680 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 32 6.656 -12.689 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.535 -12.512 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.187 -12.128 1.266 1.00 0.00 H new ATOM 0 HG LEU A 32 4.679 -10.653 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.729 -8.779 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.457 -10.180 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.090 -9.835 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.177 -9.104 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.556 -10.173 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.232 -10.743 -1.460 1.00 0.00 H new ATOM 504 N GLU A 33 5.833 -15.219 0.840 1.00 0.00 N ATOM 505 CA GLU A 33 6.251 -16.547 1.274 1.00 0.00 C ATOM 506 C GLU A 33 6.593 -17.429 0.077 1.00 0.00 C ATOM 507 O GLU A 33 7.577 -18.168 0.099 1.00 0.00 O ATOM 508 CB GLU A 33 5.150 -17.205 2.109 1.00 0.00 C ATOM 509 CG GLU A 33 4.887 -16.504 3.431 1.00 0.00 C ATOM 510 CD GLU A 33 3.600 -16.963 4.089 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.446 -18.184 4.303 1.00 0.00 O ATOM 512 OE2 GLU A 33 2.748 -16.102 4.390 1.00 0.00 O ATOM 0 H GLU A 33 4.900 -14.948 1.149 1.00 0.00 H new ATOM 0 HA GLU A 33 7.145 -16.436 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.228 -17.225 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.425 -18.241 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.722 -16.687 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.842 -15.428 3.265 1.00 0.00 H new ATOM 519 N GLU A 34 5.773 -17.345 -0.966 1.00 0.00 N ATOM 520 CA GLU A 34 5.988 -18.137 -2.171 1.00 0.00 C ATOM 521 C GLU A 34 7.083 -17.522 -3.038 1.00 0.00 C ATOM 522 O GLU A 34 7.712 -18.210 -3.841 1.00 0.00 O ATOM 523 CB GLU A 34 4.689 -18.247 -2.974 1.00 0.00 C ATOM 524 CG GLU A 34 3.624 -19.090 -2.295 1.00 0.00 C ATOM 525 CD GLU A 34 2.645 -19.698 -3.281 1.00 0.00 C ATOM 526 OE1 GLU A 34 1.660 -19.018 -3.635 1.00 0.00 O ATOM 527 OE2 GLU A 34 2.865 -20.855 -3.698 1.00 0.00 O ATOM 0 H GLU A 34 4.955 -16.737 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 34 6.306 -19.135 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.293 -17.246 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.911 -18.675 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.104 -19.887 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.079 -18.473 -1.581 1.00 0.00 H new ATOM 534 N GLN A 35 7.305 -16.223 -2.867 1.00 0.00 N ATOM 535 CA GLN A 35 8.324 -15.515 -3.634 1.00 0.00 C ATOM 536 C GLN A 35 9.720 -16.009 -3.270 1.00 0.00 C ATOM 537 O GLN A 35 10.691 -15.728 -3.971 1.00 0.00 O ATOM 538 CB GLN A 35 8.222 -14.009 -3.389 1.00 0.00 C ATOM 539 CG GLN A 35 7.458 -13.266 -4.473 1.00 0.00 C ATOM 540 CD GLN A 35 7.199 -11.815 -4.115 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.643 -11.333 -3.073 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.479 -11.111 -4.980 1.00 0.00 N ATOM 0 H GLN A 35 6.794 -15.639 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 35 8.152 -15.716 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.734 -13.838 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.227 -13.593 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.021 -13.311 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.507 -13.768 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.131 -11.552 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.274 -10.129 -4.793 1.00 0.00 H new ATOM 551 N GLY A 36 9.813 -16.746 -2.167 1.00 0.00 N ATOM 552 CA GLY A 36 11.095 -17.267 -1.729 1.00 0.00 C ATOM 553 C GLY A 36 11.514 -16.715 -0.381 1.00 0.00 C ATOM 554 O GLY A 36 12.470 -17.198 0.225 1.00 0.00 O ATOM 0 H GLY A 36 9.024 -16.991 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.042 -18.354 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.856 -17.023 -2.471 1.00 0.00 H new ATOM 558 N MET A 37 10.799 -15.698 0.089 1.00 0.00 N ATOM 559 CA MET A 37 11.103 -15.080 1.375 1.00 0.00 C ATOM 560 C MET A 37 10.738 -16.012 2.526 1.00 0.00 C ATOM 561 O MET A 37 9.563 -16.175 2.858 1.00 0.00 O ATOM 562 CB MET A 37 10.352 -13.755 1.518 1.00 0.00 C ATOM 563 CG MET A 37 10.827 -12.680 0.553 1.00 0.00 C ATOM 564 SD MET A 37 9.744 -11.238 0.531 1.00 0.00 S ATOM 565 CE MET A 37 9.559 -10.928 2.286 1.00 0.00 C ATOM 0 H MET A 37 10.006 -15.284 -0.401 1.00 0.00 H new ATOM 0 HA MET A 37 12.175 -14.888 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.288 -13.931 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.465 -13.391 2.539 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.834 -12.369 0.829 1.00 0.00 H new ATOM 0 HG3 MET A 37 10.887 -13.100 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.566 -9.853 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.615 -11.349 2.632 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.383 -11.393 2.827 1.00 0.00 H new ATOM 575 N LYS A 38 11.751 -16.621 3.132 1.00 0.00 N ATOM 576 CA LYS A 38 11.537 -17.536 4.247 1.00 0.00 C ATOM 577 C LYS A 38 11.943 -16.889 5.567 1.00 0.00 C ATOM 578 O LYS A 38 11.680 -17.430 6.641 1.00 0.00 O ATOM 579 CB LYS A 38 12.332 -18.826 4.034 1.00 0.00 C ATOM 580 CG LYS A 38 12.033 -19.514 2.713 1.00 0.00 C ATOM 581 CD LYS A 38 12.460 -20.972 2.735 1.00 0.00 C ATOM 582 CE LYS A 38 13.948 -21.122 2.457 1.00 0.00 C ATOM 583 NZ LYS A 38 14.467 -22.443 2.908 1.00 0.00 N ATOM 0 H LYS A 38 12.729 -16.498 2.870 1.00 0.00 H new ATOM 0 HA LYS A 38 10.474 -17.774 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.397 -18.599 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.115 -19.515 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.966 -19.450 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.550 -18.995 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.225 -21.406 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.892 -21.530 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.131 -21.005 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.494 -20.326 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.484 -22.506 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.315 -22.544 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.964 -23.203 2.407 1.00 0.00 H new ATOM 597 N ASN A 39 12.582 -15.727 5.480 1.00 0.00 N ATOM 598 CA ASN A 39 13.023 -15.006 6.668 1.00 0.00 C ATOM 599 C ASN A 39 11.879 -14.192 7.266 1.00 0.00 C ATOM 600 O ASN A 39 11.050 -13.625 6.554 1.00 0.00 O ATOM 601 CB ASN A 39 14.195 -14.084 6.325 1.00 0.00 C ATOM 602 CG ASN A 39 15.502 -14.561 6.929 1.00 0.00 C ATOM 603 OD1 ASN A 39 16.011 -15.624 6.573 1.00 0.00 O ATOM 604 ND2 ASN A 39 16.050 -13.775 7.848 1.00 0.00 N ATOM 0 H ASN A 39 12.806 -15.265 4.599 1.00 0.00 H new ATOM 0 HA ASN A 39 13.350 -15.738 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.300 -14.022 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.979 -13.077 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.929 -14.044 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.592 -12.903 8.112 1.00 0.00 H new ATOM 611 N PRO A 40 11.832 -14.131 8.605 1.00 0.00 N ATOM 612 CA PRO A 40 10.796 -13.389 9.328 1.00 0.00 C ATOM 613 C PRO A 40 10.945 -11.880 9.167 1.00 0.00 C ATOM 614 O PRO A 40 9.980 -11.182 8.857 1.00 0.00 O ATOM 615 CB PRO A 40 11.020 -13.796 10.787 1.00 0.00 C ATOM 616 CG PRO A 40 12.457 -14.184 10.855 1.00 0.00 C ATOM 617 CD PRO A 40 12.788 -14.783 9.516 1.00 0.00 C ATOM 0 HA PRO A 40 9.797 -13.617 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.800 -12.972 11.466 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.372 -14.625 11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.086 -13.318 11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.630 -14.902 11.657 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.820 -14.580 9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.666 -15.866 9.519 1.00 0.00 H new ATOM 625 N GLU A 41 12.160 -11.384 9.381 1.00 0.00 N ATOM 626 CA GLU A 41 12.433 -9.957 9.260 1.00 0.00 C ATOM 627 C GLU A 41 12.054 -9.446 7.873 1.00 0.00 C ATOM 628 O GLU A 41 11.562 -8.328 7.725 1.00 0.00 O ATOM 629 CB GLU A 41 13.912 -9.673 9.532 1.00 0.00 C ATOM 630 CG GLU A 41 14.857 -10.609 8.797 1.00 0.00 C ATOM 631 CD GLU A 41 15.881 -9.866 7.962 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.569 -8.982 8.515 1.00 0.00 O ATOM 633 OE2 GLU A 41 15.996 -10.169 6.756 1.00 0.00 O ATOM 0 H GLU A 41 12.969 -11.949 9.639 1.00 0.00 H new ATOM 0 HA GLU A 41 11.827 -9.434 10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.135 -8.646 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.097 -9.751 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.373 -11.240 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.279 -11.270 8.152 1.00 0.00 H new ATOM 640 N GLU A 42 12.287 -10.274 6.859 1.00 0.00 N ATOM 641 CA GLU A 42 11.971 -9.906 5.484 1.00 0.00 C ATOM 642 C GLU A 42 10.465 -9.744 5.297 1.00 0.00 C ATOM 643 O GLU A 42 9.985 -8.666 4.946 1.00 0.00 O ATOM 644 CB GLU A 42 12.506 -10.961 4.514 1.00 0.00 C ATOM 645 CG GLU A 42 12.824 -10.412 3.133 1.00 0.00 C ATOM 646 CD GLU A 42 14.295 -10.092 2.956 1.00 0.00 C ATOM 647 OE1 GLU A 42 14.765 -9.110 3.567 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.976 -10.823 2.207 1.00 0.00 O ATOM 0 H GLU A 42 12.693 -11.204 6.964 1.00 0.00 H new ATOM 0 HA GLU A 42 12.451 -8.951 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.407 -11.406 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.771 -11.760 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.521 -11.138 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.237 -9.510 2.961 1.00 0.00 H new ATOM 655 N ILE A 43 9.726 -10.823 5.532 1.00 0.00 N ATOM 656 CA ILE A 43 8.276 -10.801 5.390 1.00 0.00 C ATOM 657 C ILE A 43 7.651 -9.747 6.297 1.00 0.00 C ATOM 658 O ILE A 43 6.843 -8.932 5.853 1.00 0.00 O ATOM 659 CB ILE A 43 7.658 -12.174 5.714 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.282 -13.259 4.835 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.149 -12.133 5.524 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.725 -14.641 5.094 1.00 0.00 C ATOM 0 H ILE A 43 10.108 -11.723 5.822 1.00 0.00 H new ATOM 0 HA ILE A 43 8.064 -10.553 4.350 1.00 0.00 H new ATOM 0 HB ILE A 43 7.867 -12.413 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.123 -13.003 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.359 -13.274 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.726 -13.110 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.719 -11.384 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.919 -11.875 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.213 -15.359 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.908 -14.918 6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.652 -14.643 4.901 1.00 0.00 H new ATOM 674 N GLU A 44 8.031 -9.769 7.571 1.00 0.00 N ATOM 675 CA GLU A 44 7.508 -8.814 8.540 1.00 0.00 C ATOM 676 C GLU A 44 7.745 -7.381 8.074 1.00 0.00 C ATOM 677 O GLU A 44 6.850 -6.538 8.144 1.00 0.00 O ATOM 678 CB GLU A 44 8.160 -9.032 9.907 1.00 0.00 C ATOM 679 CG GLU A 44 7.574 -10.200 10.682 1.00 0.00 C ATOM 680 CD GLU A 44 8.282 -10.439 12.002 1.00 0.00 C ATOM 681 OE1 GLU A 44 9.509 -10.672 11.982 1.00 0.00 O ATOM 682 OE2 GLU A 44 7.610 -10.394 13.053 1.00 0.00 O ATOM 0 H GLU A 44 8.699 -10.437 7.955 1.00 0.00 H new ATOM 0 HA GLU A 44 6.434 -8.976 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.228 -9.199 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.053 -8.124 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.517 -10.013 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.635 -11.102 10.073 1.00 0.00 H new ATOM 689 N ARG A 45 8.957 -7.111 7.600 1.00 0.00 N ATOM 690 CA ARG A 45 9.312 -5.780 7.124 1.00 0.00 C ATOM 691 C ARG A 45 8.394 -5.346 5.986 1.00 0.00 C ATOM 692 O ARG A 45 7.752 -4.298 6.056 1.00 0.00 O ATOM 693 CB ARG A 45 10.769 -5.755 6.657 1.00 0.00 C ATOM 694 CG ARG A 45 11.208 -4.408 6.104 1.00 0.00 C ATOM 695 CD ARG A 45 12.723 -4.296 6.050 1.00 0.00 C ATOM 696 NE ARG A 45 13.190 -2.977 6.471 1.00 0.00 N ATOM 697 CZ ARG A 45 14.447 -2.568 6.345 1.00 0.00 C ATOM 698 NH1 ARG A 45 15.359 -3.370 5.813 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.795 -1.354 6.752 1.00 0.00 N ATOM 0 H ARG A 45 9.709 -7.797 7.536 1.00 0.00 H new ATOM 0 HA ARG A 45 9.190 -5.081 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.415 -6.023 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.909 -6.516 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.796 -4.272 5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.805 -3.609 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.166 -5.059 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.065 -4.495 5.034 1.00 0.00 H new ATOM 0 HE ARG A 45 12.513 -2.335 6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.096 -4.304 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.324 -3.053 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.097 -0.734 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.761 -1.041 6.655 1.00 0.00 H new ATOM 713 N LYS A 46 8.336 -6.159 4.936 1.00 0.00 N ATOM 714 CA LYS A 46 7.496 -5.861 3.782 1.00 0.00 C ATOM 715 C LYS A 46 6.034 -5.725 4.194 1.00 0.00 C ATOM 716 O LYS A 46 5.404 -4.694 3.954 1.00 0.00 O ATOM 717 CB LYS A 46 7.639 -6.958 2.725 1.00 0.00 C ATOM 718 CG LYS A 46 8.856 -6.788 1.832 1.00 0.00 C ATOM 719 CD LYS A 46 8.802 -7.720 0.633 1.00 0.00 C ATOM 720 CE LYS A 46 10.115 -7.716 -0.135 1.00 0.00 C ATOM 721 NZ LYS A 46 10.412 -6.378 -0.720 1.00 0.00 N ATOM 0 H LYS A 46 8.861 -7.030 4.861 1.00 0.00 H new ATOM 0 HA LYS A 46 7.826 -4.912 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.697 -7.926 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.743 -6.972 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.915 -5.755 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.761 -6.985 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.578 -8.733 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.991 -7.416 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.926 -8.009 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.072 -8.459 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.270 -6.438 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.612 -6.071 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.562 -5.690 0.045 1.00 0.00 H new ATOM 735 N VAL A 47 5.499 -6.770 4.818 1.00 0.00 N ATOM 736 CA VAL A 47 4.112 -6.765 5.265 1.00 0.00 C ATOM 737 C VAL A 47 3.820 -5.551 6.139 1.00 0.00 C ATOM 738 O VAL A 47 2.728 -4.987 6.090 1.00 0.00 O ATOM 739 CB VAL A 47 3.772 -8.044 6.054 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.337 -7.997 6.556 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.004 -9.277 5.193 1.00 0.00 C ATOM 0 H VAL A 47 6.006 -7.631 5.025 1.00 0.00 H new ATOM 0 HA VAL A 47 3.492 -6.722 4.370 1.00 0.00 H new ATOM 0 HB VAL A 47 4.432 -8.103 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.116 -8.909 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.208 -7.134 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.657 -7.914 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.759 -10.172 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.370 -9.227 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.050 -9.316 4.888 1.00 0.00 H new ATOM 751 N GLU A 48 4.806 -5.153 6.938 1.00 0.00 N ATOM 752 CA GLU A 48 4.654 -4.004 7.824 1.00 0.00 C ATOM 753 C GLU A 48 4.470 -2.719 7.021 1.00 0.00 C ATOM 754 O GLU A 48 3.482 -2.005 7.193 1.00 0.00 O ATOM 755 CB GLU A 48 5.872 -3.875 8.741 1.00 0.00 C ATOM 756 CG GLU A 48 5.802 -2.684 9.681 1.00 0.00 C ATOM 757 CD GLU A 48 6.590 -2.901 10.958 1.00 0.00 C ATOM 758 OE1 GLU A 48 6.191 -3.770 11.762 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.606 -2.202 11.154 1.00 0.00 O ATOM 0 H GLU A 48 5.717 -5.609 6.990 1.00 0.00 H new ATOM 0 HA GLU A 48 3.764 -4.162 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.971 -4.787 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.770 -3.792 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.182 -1.800 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.760 -2.484 9.931 1.00 0.00 H new ATOM 766 N ILE A 49 5.427 -2.433 6.146 1.00 0.00 N ATOM 767 CA ILE A 49 5.371 -1.235 5.317 1.00 0.00 C ATOM 768 C ILE A 49 4.059 -1.164 4.543 1.00 0.00 C ATOM 769 O ILE A 49 3.436 -0.107 4.453 1.00 0.00 O ATOM 770 CB ILE A 49 6.545 -1.183 4.322 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.879 -1.213 5.071 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.447 0.061 3.452 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.047 -1.634 4.207 1.00 0.00 C ATOM 0 H ILE A 49 6.251 -3.014 5.992 1.00 0.00 H new ATOM 0 HA ILE A 49 5.440 -0.381 5.991 1.00 0.00 H new ATOM 0 HB ILE A 49 6.493 -2.059 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.079 -0.223 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.797 -1.897 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.284 0.084 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.510 0.043 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.477 0.949 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.960 -1.633 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.869 -2.637 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.155 -0.936 3.376 1.00 0.00 H new ATOM 785 N ASN A 50 3.644 -2.298 3.988 1.00 0.00 N ATOM 786 CA ASN A 50 2.404 -2.365 3.222 1.00 0.00 C ATOM 787 C ASN A 50 1.205 -2.008 4.096 1.00 0.00 C ATOM 788 O ASN A 50 0.399 -1.148 3.740 1.00 0.00 O ATOM 789 CB ASN A 50 2.220 -3.764 2.631 1.00 0.00 C ATOM 790 CG ASN A 50 1.637 -3.728 1.231 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.771 -2.735 0.516 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.985 -4.815 0.834 1.00 0.00 N ATOM 0 H ASN A 50 4.147 -3.183 4.054 1.00 0.00 H new ATOM 0 HA ASN A 50 2.468 -1.641 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.182 -4.275 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.565 -4.346 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.571 -4.850 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.899 -5.615 1.461 1.00 0.00 H new ATOM 799 N ARG A 51 1.095 -2.675 5.240 1.00 0.00 N ATOM 800 CA ARG A 51 -0.006 -2.429 6.164 1.00 0.00 C ATOM 801 C ARG A 51 -0.107 -0.945 6.507 1.00 0.00 C ATOM 802 O ARG A 51 -1.163 -0.331 6.352 1.00 0.00 O ATOM 803 CB ARG A 51 0.182 -3.247 7.443 1.00 0.00 C ATOM 804 CG ARG A 51 -0.998 -3.164 8.398 1.00 0.00 C ATOM 805 CD ARG A 51 -0.716 -3.902 9.697 1.00 0.00 C ATOM 806 NE ARG A 51 0.458 -3.371 10.385 1.00 0.00 N ATOM 807 CZ ARG A 51 0.447 -2.251 11.099 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.671 -1.548 11.219 1.00 0.00 N ATOM 809 NH2 ARG A 51 1.556 -1.832 11.695 1.00 0.00 N ATOM 0 H ARG A 51 1.754 -3.389 5.549 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.932 -2.736 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.349 -4.290 7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.079 -2.902 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.221 -2.119 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.883 -3.587 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.584 -3.828 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.565 -4.961 9.487 1.00 0.00 H new ATOM 0 HE ARG A 51 1.334 -3.888 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.525 -1.867 10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.676 -0.688 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.418 -2.370 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.547 -0.972 12.243 1.00 0.00 H new ATOM 823 N LYS A 52 0.998 -0.375 6.975 1.00 0.00 N ATOM 824 CA LYS A 52 1.036 1.036 7.339 1.00 0.00 C ATOM 825 C LYS A 52 0.683 1.917 6.144 1.00 0.00 C ATOM 826 O LYS A 52 -0.098 2.860 6.266 1.00 0.00 O ATOM 827 CB LYS A 52 2.422 1.410 7.870 1.00 0.00 C ATOM 828 CG LYS A 52 2.597 1.144 9.355 1.00 0.00 C ATOM 829 CD LYS A 52 4.031 1.378 9.799 1.00 0.00 C ATOM 830 CE LYS A 52 4.341 2.863 9.920 1.00 0.00 C ATOM 831 NZ LYS A 52 5.613 3.105 10.656 1.00 0.00 N ATOM 0 H LYS A 52 1.880 -0.869 7.111 1.00 0.00 H new ATOM 0 HA LYS A 52 0.296 1.203 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.177 0.850 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.603 2.467 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.929 1.792 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.309 0.116 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.200 0.890 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.714 0.920 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.408 3.302 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.522 3.364 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.789 4.128 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.540 2.708 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.399 2.648 10.151 1.00 0.00 H new ATOM 845 N ARG A 53 1.263 1.601 4.991 1.00 0.00 N ATOM 846 CA ARG A 53 1.010 2.364 3.775 1.00 0.00 C ATOM 847 C ARG A 53 -0.478 2.362 3.433 1.00 0.00 C ATOM 848 O ARG A 53 -1.050 3.401 3.102 1.00 0.00 O ATOM 849 CB ARG A 53 1.812 1.785 2.608 1.00 0.00 C ATOM 850 CG ARG A 53 3.283 2.168 2.632 1.00 0.00 C ATOM 851 CD ARG A 53 3.544 3.428 1.823 1.00 0.00 C ATOM 852 NE ARG A 53 4.674 4.191 2.347 1.00 0.00 N ATOM 853 CZ ARG A 53 5.096 5.335 1.820 1.00 0.00 C ATOM 854 NH1 ARG A 53 4.485 5.846 0.760 1.00 0.00 N ATOM 855 NH2 ARG A 53 6.132 5.971 2.354 1.00 0.00 N ATOM 0 H ARG A 53 1.911 0.822 4.873 1.00 0.00 H new ATOM 0 HA ARG A 53 1.325 3.393 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.728 0.698 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.372 2.125 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.603 2.323 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.880 1.348 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.739 3.158 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.651 4.053 1.828 1.00 0.00 H new ATOM 0 HE ARG A 53 5.166 3.825 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.689 5.361 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.811 6.725 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.605 5.581 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.455 6.849 1.949 1.00 0.00 H new ATOM 869 N LEU A 54 -1.097 1.190 3.514 1.00 0.00 N ATOM 870 CA LEU A 54 -2.518 1.053 3.213 1.00 0.00 C ATOM 871 C LEU A 54 -3.362 1.870 4.186 1.00 0.00 C ATOM 872 O LEU A 54 -4.260 2.605 3.776 1.00 0.00 O ATOM 873 CB LEU A 54 -2.932 -0.419 3.273 1.00 0.00 C ATOM 874 CG LEU A 54 -2.457 -1.297 2.115 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.374 -2.753 2.548 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.383 -1.147 0.917 1.00 0.00 C ATOM 0 H LEU A 54 -0.638 0.321 3.786 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.689 1.432 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.555 -0.844 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.020 -0.468 3.318 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.460 -0.969 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.034 -3.363 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.670 -2.847 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.358 -3.094 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.029 -1.779 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.393 -1.447 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.391 -0.107 0.592 1.00 0.00 H new ATOM 888 N GLU A 55 -3.066 1.737 5.475 1.00 0.00 N ATOM 889 CA GLU A 55 -3.797 2.465 6.505 1.00 0.00 C ATOM 890 C GLU A 55 -3.747 3.969 6.248 1.00 0.00 C ATOM 891 O GLU A 55 -4.782 4.629 6.157 1.00 0.00 O ATOM 892 CB GLU A 55 -3.221 2.154 7.888 1.00 0.00 C ATOM 893 CG GLU A 55 -3.813 0.910 8.528 1.00 0.00 C ATOM 894 CD GLU A 55 -5.025 1.216 9.387 1.00 0.00 C ATOM 895 OE1 GLU A 55 -4.989 2.221 10.127 1.00 0.00 O ATOM 896 OE2 GLU A 55 -6.008 0.449 9.318 1.00 0.00 O ATOM 0 H GLU A 55 -2.326 1.132 5.831 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.838 2.142 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.141 2.030 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.393 3.007 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.095 0.203 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.053 0.423 9.139 1.00 0.00 H new ATOM 903 N VAL A 56 -2.536 4.504 6.132 1.00 0.00 N ATOM 904 CA VAL A 56 -2.350 5.928 5.885 1.00 0.00 C ATOM 905 C VAL A 56 -2.985 6.345 4.563 1.00 0.00 C ATOM 906 O VAL A 56 -3.535 7.440 4.445 1.00 0.00 O ATOM 907 CB VAL A 56 -0.856 6.304 5.865 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.684 7.799 5.646 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.179 5.865 7.155 1.00 0.00 C ATOM 0 H VAL A 56 -1.669 3.972 6.205 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.840 6.457 6.703 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.379 5.782 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.378 8.045 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.132 8.081 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.174 8.344 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.876 6.138 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.657 6.357 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.271 4.784 7.264 1.00 0.00 H new ATOM 919 N ASP A 57 -2.905 5.464 3.572 1.00 0.00 N ATOM 920 CA ASP A 57 -3.474 5.739 2.258 1.00 0.00 C ATOM 921 C ASP A 57 -4.986 5.921 2.347 1.00 0.00 C ATOM 922 O ASP A 57 -5.523 6.948 1.932 1.00 0.00 O ATOM 923 CB ASP A 57 -3.141 4.605 1.287 1.00 0.00 C ATOM 924 CG ASP A 57 -1.767 4.760 0.665 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.178 5.853 0.793 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.281 3.787 0.051 1.00 0.00 O ATOM 0 H ASP A 57 -2.452 4.554 3.654 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.036 6.666 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.193 3.652 1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.892 4.574 0.498 1.00 0.00 H new ATOM 931 N TYR A 58 -5.666 4.918 2.890 1.00 0.00 N ATOM 932 CA TYR A 58 -7.117 4.966 3.031 1.00 0.00 C ATOM 933 C TYR A 58 -7.541 6.145 3.901 1.00 0.00 C ATOM 934 O TYR A 58 -8.649 6.663 3.767 1.00 0.00 O ATOM 935 CB TYR A 58 -7.635 3.660 3.634 1.00 0.00 C ATOM 936 CG TYR A 58 -7.525 2.475 2.701 1.00 0.00 C ATOM 937 CD1 TYR A 58 -7.959 2.562 1.383 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.988 1.270 3.136 1.00 0.00 C ATOM 939 CE1 TYR A 58 -7.860 1.482 0.527 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.884 0.186 2.285 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.322 0.297 0.982 1.00 0.00 C ATOM 942 OH TYR A 58 -7.222 -0.781 0.133 1.00 0.00 O ATOM 0 H TYR A 58 -5.236 4.062 3.240 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.549 5.096 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.079 3.446 4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.679 3.791 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.380 3.489 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.646 1.179 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.202 1.566 -0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.462 -0.743 2.639 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.820 -1.537 0.610 1.00 0.00 H new ATOM 952 N GLY A 59 -6.650 6.564 4.794 1.00 0.00 N ATOM 953 CA GLY A 59 -6.949 7.679 5.674 1.00 0.00 C ATOM 954 C GLY A 59 -7.222 7.237 7.098 1.00 0.00 C ATOM 955 O GLY A 59 -7.836 7.968 7.876 1.00 0.00 O ATOM 0 H GLY A 59 -5.726 6.151 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.112 8.377 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.816 8.217 5.291 1.00 0.00 H new ATOM 959 N LEU A 60 -6.768 6.037 7.440 1.00 0.00 N ATOM 960 CA LEU A 60 -6.968 5.497 8.781 1.00 0.00 C ATOM 961 C LEU A 60 -5.825 5.900 9.707 1.00 0.00 C ATOM 962 O LEU A 60 -6.019 6.072 10.910 1.00 0.00 O ATOM 963 CB LEU A 60 -7.082 3.972 8.726 1.00 0.00 C ATOM 964 CG LEU A 60 -7.975 3.405 7.623 1.00 0.00 C ATOM 965 CD1 LEU A 60 -7.769 1.904 7.487 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.437 3.720 7.905 1.00 0.00 C ATOM 0 H LEU A 60 -6.259 5.419 6.808 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.895 5.911 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.081 3.557 8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.458 3.621 9.687 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.697 3.876 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.413 1.518 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.728 1.701 7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.018 1.416 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.058 3.309 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.727 3.277 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.574 4.800 7.950 1.00 0.00 H new ATOM 978 N SER A 61 -4.634 6.050 9.137 1.00 0.00 N ATOM 979 CA SER A 61 -3.459 6.432 9.912 1.00 0.00 C ATOM 980 C SER A 61 -2.739 7.610 9.262 1.00 0.00 C ATOM 981 O SER A 61 -3.217 8.178 8.282 1.00 0.00 O ATOM 982 CB SER A 61 -2.502 5.246 10.044 1.00 0.00 C ATOM 983 OG SER A 61 -1.212 5.673 10.447 1.00 0.00 O ATOM 0 H SER A 61 -4.457 5.913 8.142 1.00 0.00 H new ATOM 0 HA SER A 61 -3.792 6.734 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.897 4.536 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.434 4.722 9.091 1.00 0.00 H new ATOM 0 HG SER A 61 -0.620 4.896 10.526 1.00 0.00 H new TER 989 SER A 61