USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 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 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 58 SER OG : rot 94:sc= 1.03 USER MOD Single : A 63 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.22) USER MOD Single : A 73 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.35) USER MOD Single : A 77 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.769 K(o=-0.77,f=-1.4) USER MOD Single : A 85 ASN : amide:sc= -0.842 X(o=-0.84,f=-0.39) USER MOD Single : A 87 ASN :FLIP amide:sc=-0.00496 F(o=-0.55,f=-0.005) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.817 K(o=0.82,f=-9.4!) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= 0 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.12 F(o=-0.62,f=-0.12) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.14) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.706) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 0.183 15.022 -3.992 1.00 0.00 N ATOM 2 CA GLY A 47 -0.837 14.330 -4.783 1.00 0.00 C ATOM 3 C GLY A 47 -0.253 13.198 -5.599 1.00 0.00 C ATOM 4 O GLY A 47 -0.171 13.287 -6.824 1.00 0.00 O ATOM 0 HA2 GLY A 47 -1.606 13.938 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.324 15.043 -5.449 1.00 0.00 H new ATOM 8 N GLU A 48 0.210 12.138 -4.942 1.00 0.00 N ATOM 9 CA GLU A 48 0.783 10.944 -5.552 1.00 0.00 C ATOM 10 C GLU A 48 1.006 9.919 -4.463 1.00 0.00 C ATOM 11 O GLU A 48 0.535 8.798 -4.601 1.00 0.00 O ATOM 12 CB GLU A 48 2.114 11.226 -6.268 1.00 0.00 C ATOM 13 CG GLU A 48 2.843 9.941 -6.701 1.00 0.00 C ATOM 14 CD GLU A 48 3.372 10.002 -8.129 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.482 10.529 -8.358 1.00 0.00 O ATOM 16 OE2 GLU A 48 2.692 9.472 -9.036 1.00 0.00 O ATOM 0 H GLU A 48 0.195 12.087 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 48 0.087 10.580 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.925 11.844 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.762 11.801 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.674 9.756 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.161 9.096 -6.609 1.00 0.00 H new ATOM 23 N VAL A 49 1.670 10.306 -3.372 1.00 0.00 N ATOM 24 CA VAL A 49 1.938 9.404 -2.258 1.00 0.00 C ATOM 25 C VAL A 49 0.637 8.730 -1.819 1.00 0.00 C ATOM 26 O VAL A 49 0.612 7.515 -1.670 1.00 0.00 O ATOM 27 CB VAL A 49 2.695 10.139 -1.139 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.959 11.381 -0.624 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.004 9.192 0.024 1.00 0.00 C ATOM 0 H VAL A 49 2.034 11.249 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 49 2.604 8.598 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 49 3.628 10.485 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.547 11.852 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.818 12.086 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.987 11.089 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.540 9.735 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.072 8.799 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.621 8.367 -0.333 1.00 0.00 H new ATOM 39 N ARG A 50 -0.466 9.467 -1.650 1.00 0.00 N ATOM 40 CA ARG A 50 -1.710 8.813 -1.250 1.00 0.00 C ATOM 41 C ARG A 50 -2.241 7.910 -2.361 1.00 0.00 C ATOM 42 O ARG A 50 -2.801 6.869 -2.044 1.00 0.00 O ATOM 43 CB ARG A 50 -2.791 9.810 -0.869 1.00 0.00 C ATOM 44 CG ARG A 50 -2.484 10.578 0.419 1.00 0.00 C ATOM 45 CD ARG A 50 -3.788 11.214 0.890 1.00 0.00 C ATOM 46 NE ARG A 50 -3.598 12.178 1.981 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.563 12.972 2.452 1.00 0.00 C ATOM 48 NH1 ARG A 50 -5.806 12.874 2.003 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.246 13.872 3.369 1.00 0.00 N ATOM 0 H ARG A 50 -0.522 10.477 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.467 8.214 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.923 10.521 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.737 9.281 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.087 9.907 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.727 11.341 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.265 11.716 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.469 10.430 1.221 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.673 12.245 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.037 12.185 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.532 13.488 2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.284 13.947 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.964 14.491 3.746 1.00 0.00 H new ATOM 63 N ASN A 51 -2.095 8.298 -3.632 1.00 0.00 N ATOM 64 CA ASN A 51 -2.563 7.507 -4.775 1.00 0.00 C ATOM 65 C ASN A 51 -1.858 6.166 -4.785 1.00 0.00 C ATOM 66 O ASN A 51 -2.516 5.132 -4.783 1.00 0.00 O ATOM 67 CB ASN A 51 -2.307 8.199 -6.131 1.00 0.00 C ATOM 68 CG ASN A 51 -3.598 8.556 -6.840 1.00 0.00 C ATOM 69 OD1 ASN A 51 -3.935 8.013 -7.888 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.325 9.507 -6.291 1.00 0.00 N ATOM 0 H ASN A 51 -1.646 9.174 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.640 7.391 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.719 9.103 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.714 7.542 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.191 9.809 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.022 9.942 -5.419 1.00 0.00 H new ATOM 77 N ILE A 52 -0.522 6.175 -4.800 1.00 0.00 N ATOM 78 CA ILE A 52 0.253 4.949 -4.822 1.00 0.00 C ATOM 79 C ILE A 52 -0.051 4.112 -3.585 1.00 0.00 C ATOM 80 O ILE A 52 -0.132 2.897 -3.707 1.00 0.00 O ATOM 81 CB ILE A 52 1.759 5.226 -4.996 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.495 3.909 -5.253 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.389 5.856 -3.754 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.819 4.104 -5.985 1.00 0.00 C ATOM 0 H ILE A 52 0.040 7.026 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.045 4.367 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 52 1.852 5.919 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.681 3.411 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.855 3.249 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.450 6.029 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.898 6.805 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.269 5.184 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.296 3.136 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.635 4.576 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.474 4.740 -5.389 1.00 0.00 H new ATOM 96 N VAL A 53 -0.230 4.741 -2.422 1.00 0.00 N ATOM 97 CA VAL A 53 -0.533 4.077 -1.170 1.00 0.00 C ATOM 98 C VAL A 53 -1.842 3.327 -1.361 1.00 0.00 C ATOM 99 O VAL A 53 -1.855 2.097 -1.287 1.00 0.00 O ATOM 100 CB VAL A 53 -0.539 5.139 -0.039 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.342 4.821 1.218 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.883 5.445 0.441 1.00 0.00 C ATOM 0 H VAL A 53 -0.165 5.755 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 53 0.212 3.339 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.030 5.977 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.258 5.648 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.389 4.675 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.954 3.912 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.847 6.192 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.342 4.533 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.474 5.827 -0.391 1.00 0.00 H new ATOM 112 N ASP A 54 -2.928 4.053 -1.603 1.00 0.00 N ATOM 113 CA ASP A 54 -4.282 3.554 -1.802 1.00 0.00 C ATOM 114 C ASP A 54 -4.321 2.417 -2.815 1.00 0.00 C ATOM 115 O ASP A 54 -4.801 1.323 -2.513 1.00 0.00 O ATOM 116 CB ASP A 54 -5.149 4.739 -2.242 1.00 0.00 C ATOM 117 CG ASP A 54 -6.533 4.339 -2.737 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.651 3.996 -3.930 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.509 4.521 -1.973 1.00 0.00 O ATOM 0 H ASP A 54 -2.882 5.070 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.667 3.133 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.258 5.428 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.632 5.280 -3.035 1.00 0.00 H new ATOM 124 N LYS A 55 -3.749 2.646 -3.992 1.00 0.00 N ATOM 125 CA LYS A 55 -3.728 1.676 -5.066 1.00 0.00 C ATOM 126 C LYS A 55 -2.926 0.458 -4.671 1.00 0.00 C ATOM 127 O LYS A 55 -3.415 -0.656 -4.866 1.00 0.00 O ATOM 128 CB LYS A 55 -3.228 2.353 -6.332 1.00 0.00 C ATOM 129 CG LYS A 55 -4.326 3.296 -6.853 1.00 0.00 C ATOM 130 CD LYS A 55 -3.906 4.026 -8.130 1.00 0.00 C ATOM 131 CE LYS A 55 -3.697 2.978 -9.225 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.654 3.545 -10.581 1.00 0.00 N ATOM 0 H LYS A 55 -3.283 3.523 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.734 1.308 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.316 2.913 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.981 1.607 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.233 2.723 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.570 4.027 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.671 4.742 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.989 4.591 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.766 2.445 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.501 2.244 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.510 2.781 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.551 4.030 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.870 4.225 -10.648 1.00 0.00 H new ATOM 146 N THR A 56 -1.732 0.634 -4.107 1.00 0.00 N ATOM 147 CA THR A 56 -0.954 -0.514 -3.676 1.00 0.00 C ATOM 148 C THR A 56 -1.735 -1.327 -2.632 1.00 0.00 C ATOM 149 O THR A 56 -1.714 -2.559 -2.703 1.00 0.00 O ATOM 150 CB THR A 56 0.411 -0.036 -3.176 1.00 0.00 C ATOM 151 OG1 THR A 56 1.022 0.589 -4.277 1.00 0.00 O ATOM 152 CG2 THR A 56 1.281 -1.201 -2.691 1.00 0.00 C ATOM 0 H THR A 56 -1.294 1.541 -3.943 1.00 0.00 H new ATOM 0 HA THR A 56 -0.775 -1.190 -4.512 1.00 0.00 H new ATOM 0 HB THR A 56 0.293 0.636 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.962 1.562 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.241 -0.818 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.778 -1.714 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.444 -1.900 -3.512 1.00 0.00 H new ATOM 160 N ALA A 57 -2.440 -0.670 -1.698 1.00 0.00 N ATOM 161 CA ALA A 57 -3.207 -1.383 -0.682 1.00 0.00 C ATOM 162 C ALA A 57 -4.291 -2.229 -1.334 1.00 0.00 C ATOM 163 O ALA A 57 -4.452 -3.362 -0.913 1.00 0.00 O ATOM 164 CB ALA A 57 -3.843 -0.449 0.340 1.00 0.00 C ATOM 0 H ALA A 57 -2.491 0.347 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.501 -2.021 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.401 -1.035 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.064 0.119 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.520 0.238 -0.167 1.00 0.00 H new ATOM 170 N SER A 58 -4.986 -1.713 -2.352 1.00 0.00 N ATOM 171 CA SER A 58 -6.042 -2.404 -3.087 1.00 0.00 C ATOM 172 C SER A 58 -5.573 -3.811 -3.470 1.00 0.00 C ATOM 173 O SER A 58 -6.202 -4.810 -3.136 1.00 0.00 O ATOM 174 CB SER A 58 -6.401 -1.550 -4.320 1.00 0.00 C ATOM 175 OG SER A 58 -7.511 -2.019 -5.057 1.00 0.00 O ATOM 0 H SER A 58 -4.820 -0.768 -2.697 1.00 0.00 H new ATOM 0 HA SER A 58 -6.935 -2.526 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.603 -0.530 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.535 -1.507 -4.980 1.00 0.00 H new ATOM 0 HG SER A 58 -8.323 -1.565 -4.749 1.00 0.00 H new ATOM 181 N PHE A 59 -4.419 -3.914 -4.124 1.00 0.00 N ATOM 182 CA PHE A 59 -3.890 -5.198 -4.551 1.00 0.00 C ATOM 183 C PHE A 59 -3.486 -6.103 -3.395 1.00 0.00 C ATOM 184 O PHE A 59 -3.802 -7.294 -3.396 1.00 0.00 O ATOM 185 CB PHE A 59 -2.695 -4.925 -5.451 1.00 0.00 C ATOM 186 CG PHE A 59 -2.215 -6.132 -6.221 1.00 0.00 C ATOM 187 CD1 PHE A 59 -1.262 -6.997 -5.650 1.00 0.00 C ATOM 188 CD2 PHE A 59 -2.772 -6.429 -7.479 1.00 0.00 C ATOM 189 CE1 PHE A 59 -0.897 -8.169 -6.327 1.00 0.00 C ATOM 190 CE2 PHE A 59 -2.399 -7.602 -8.155 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.470 -8.479 -7.569 1.00 0.00 C ATOM 0 H PHE A 59 -3.832 -3.116 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.677 -5.735 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.958 -4.138 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.874 -4.546 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.815 -6.759 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.487 -5.754 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.170 -8.837 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.824 -7.829 -9.121 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.197 -9.393 -8.076 1.00 0.00 H new ATOM 201 N VAL A 60 -2.743 -5.561 -2.430 1.00 0.00 N ATOM 202 CA VAL A 60 -2.278 -6.305 -1.265 1.00 0.00 C ATOM 203 C VAL A 60 -3.483 -6.795 -0.448 1.00 0.00 C ATOM 204 O VAL A 60 -3.419 -7.848 0.175 1.00 0.00 O ATOM 205 CB VAL A 60 -1.322 -5.392 -0.473 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.883 -5.991 0.864 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.049 -5.114 -1.295 1.00 0.00 C ATOM 0 H VAL A 60 -2.446 -4.585 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.726 -7.201 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.883 -4.478 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.212 -5.298 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.759 -6.169 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.365 -6.934 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.618 -4.468 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.456 -6.055 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.319 -4.622 -2.229 1.00 0.00 H new ATOM 217 N ALA A 61 -4.590 -6.060 -0.461 1.00 0.00 N ATOM 218 CA ALA A 61 -5.807 -6.393 0.235 1.00 0.00 C ATOM 219 C ALA A 61 -6.455 -7.593 -0.445 1.00 0.00 C ATOM 220 O ALA A 61 -6.957 -8.473 0.249 1.00 0.00 O ATOM 221 CB ALA A 61 -6.734 -5.172 0.192 1.00 0.00 C ATOM 0 H ALA A 61 -4.657 -5.184 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.606 -6.653 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.663 -5.402 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.245 -4.327 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.954 -4.918 -0.845 1.00 0.00 H new ATOM 227 N ARG A 62 -6.430 -7.653 -1.783 1.00 0.00 N ATOM 228 CA ARG A 62 -7.052 -8.771 -2.482 1.00 0.00 C ATOM 229 C ARG A 62 -6.221 -10.042 -2.466 1.00 0.00 C ATOM 230 O ARG A 62 -6.729 -11.126 -2.179 1.00 0.00 O ATOM 231 CB ARG A 62 -7.314 -8.402 -3.941 1.00 0.00 C ATOM 232 CG ARG A 62 -8.364 -7.309 -4.070 1.00 0.00 C ATOM 233 CD ARG A 62 -8.919 -7.281 -5.491 1.00 0.00 C ATOM 234 NE ARG A 62 -9.699 -6.058 -5.700 1.00 0.00 N ATOM 235 CZ ARG A 62 -9.153 -4.842 -5.778 1.00 0.00 C ATOM 236 NH1 ARG A 62 -7.853 -4.703 -6.038 1.00 0.00 N ATOM 237 NH2 ARG A 62 -9.893 -3.763 -5.558 1.00 0.00 N ATOM 0 H ARG A 62 -5.995 -6.955 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.979 -8.969 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.385 -8.069 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.642 -9.287 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.172 -7.484 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.926 -6.342 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.102 -7.328 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.546 -8.156 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.712 -6.140 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.270 -5.528 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.441 -3.772 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.882 -3.861 -5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.473 -2.835 -5.618 1.00 0.00 H new ATOM 251 N ASN A 63 -4.956 -9.912 -2.844 1.00 0.00 N ATOM 252 CA ASN A 63 -4.014 -11.023 -2.928 1.00 0.00 C ATOM 253 C ASN A 63 -3.577 -11.509 -1.547 1.00 0.00 C ATOM 254 O ASN A 63 -3.372 -12.706 -1.364 1.00 0.00 O ATOM 255 CB ASN A 63 -2.803 -10.659 -3.799 1.00 0.00 C ATOM 256 CG ASN A 63 -3.149 -10.365 -5.257 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.835 -11.131 -6.163 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.784 -9.238 -5.535 1.00 0.00 N ATOM 0 H ASN A 63 -4.547 -9.015 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.536 -11.851 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.310 -9.786 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.085 -11.479 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.012 -9.006 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.045 -8.601 -4.783 1.00 0.00 H new ATOM 265 N GLY A 64 -3.429 -10.608 -0.576 1.00 0.00 N ATOM 266 CA GLY A 64 -3.039 -10.908 0.794 1.00 0.00 C ATOM 267 C GLY A 64 -1.777 -10.160 1.237 1.00 0.00 C ATOM 268 O GLY A 64 -1.024 -9.642 0.402 1.00 0.00 O ATOM 0 H GLY A 64 -3.584 -9.612 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.860 -10.652 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.871 -11.981 0.891 1.00 0.00 H new ATOM 272 N PRO A 65 -1.497 -10.145 2.556 1.00 0.00 N ATOM 273 CA PRO A 65 -0.348 -9.464 3.148 1.00 0.00 C ATOM 274 C PRO A 65 0.994 -9.965 2.623 1.00 0.00 C ATOM 275 O PRO A 65 1.989 -9.257 2.776 1.00 0.00 O ATOM 276 CB PRO A 65 -0.489 -9.625 4.666 1.00 0.00 C ATOM 277 CG PRO A 65 -1.406 -10.834 4.826 1.00 0.00 C ATOM 278 CD PRO A 65 -2.314 -10.740 3.603 1.00 0.00 C ATOM 0 HA PRO A 65 -0.349 -8.411 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.478 -9.792 5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.920 -8.734 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.844 -11.768 4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.974 -10.789 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.676 -11.725 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.191 -10.128 3.812 1.00 0.00 H new ATOM 286 N GLU A 66 1.066 -11.141 1.995 1.00 0.00 N ATOM 287 CA GLU A 66 2.330 -11.623 1.450 1.00 0.00 C ATOM 288 C GLU A 66 2.851 -10.638 0.399 1.00 0.00 C ATOM 289 O GLU A 66 4.063 -10.459 0.273 1.00 0.00 O ATOM 290 CB GLU A 66 2.184 -13.016 0.828 1.00 0.00 C ATOM 291 CG GLU A 66 0.976 -13.191 -0.110 1.00 0.00 C ATOM 292 CD GLU A 66 1.249 -14.296 -1.124 1.00 0.00 C ATOM 293 OE1 GLU A 66 2.020 -14.050 -2.074 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.738 -15.428 -0.968 1.00 0.00 O ATOM 0 H GLU A 66 0.273 -11.767 1.854 1.00 0.00 H new ATOM 0 HA GLU A 66 3.042 -11.697 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.093 -13.245 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.109 -13.749 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.087 -13.434 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.771 -12.255 -0.629 1.00 0.00 H new ATOM 301 N PHE A 67 1.950 -9.992 -0.350 1.00 0.00 N ATOM 302 CA PHE A 67 2.339 -9.032 -1.364 1.00 0.00 C ATOM 303 C PHE A 67 2.910 -7.780 -0.736 1.00 0.00 C ATOM 304 O PHE A 67 3.726 -7.121 -1.371 1.00 0.00 O ATOM 305 CB PHE A 67 1.185 -8.703 -2.305 1.00 0.00 C ATOM 306 CG PHE A 67 1.239 -9.566 -3.534 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.109 -9.206 -4.579 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.471 -10.736 -3.614 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.166 -9.984 -5.744 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.520 -11.512 -4.786 1.00 0.00 C ATOM 311 CZ PHE A 67 1.351 -11.123 -5.854 1.00 0.00 C ATOM 0 H PHE A 67 0.942 -10.125 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 67 3.122 -9.493 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.236 -8.853 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.230 -7.652 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.733 -8.330 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.151 -11.038 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.831 -9.710 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.080 -12.406 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.362 -11.704 -6.764 1.00 0.00 H new ATOM 321 N GLU A 68 2.494 -7.444 0.484 1.00 0.00 N ATOM 322 CA GLU A 68 3.002 -6.274 1.165 1.00 0.00 C ATOM 323 C GLU A 68 4.506 -6.443 1.346 1.00 0.00 C ATOM 324 O GLU A 68 5.258 -5.500 1.133 1.00 0.00 O ATOM 325 CB GLU A 68 2.328 -6.140 2.546 1.00 0.00 C ATOM 326 CG GLU A 68 2.575 -4.764 3.158 1.00 0.00 C ATOM 327 CD GLU A 68 2.035 -4.633 4.588 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.805 -4.698 4.830 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.875 -4.396 5.489 1.00 0.00 O ATOM 0 H GLU A 68 1.803 -7.974 1.016 1.00 0.00 H new ATOM 0 HA GLU A 68 2.789 -5.378 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.256 -6.308 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.710 -6.911 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.646 -4.562 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.109 -4.005 2.530 1.00 0.00 H new ATOM 336 N ALA A 69 4.930 -7.645 1.746 1.00 0.00 N ATOM 337 CA ALA A 69 6.322 -7.954 1.986 1.00 0.00 C ATOM 338 C ALA A 69 7.090 -8.159 0.683 1.00 0.00 C ATOM 339 O ALA A 69 8.239 -7.730 0.585 1.00 0.00 O ATOM 340 CB ALA A 69 6.424 -9.206 2.857 1.00 0.00 C ATOM 0 H ALA A 69 4.302 -8.431 1.911 1.00 0.00 H new ATOM 0 HA ALA A 69 6.772 -7.106 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.473 -9.439 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.922 -9.029 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.949 -10.044 2.347 1.00 0.00 H new ATOM 346 N ARG A 70 6.493 -8.838 -0.306 1.00 0.00 N ATOM 347 CA ARG A 70 7.135 -9.077 -1.590 1.00 0.00 C ATOM 348 C ARG A 70 7.475 -7.744 -2.232 1.00 0.00 C ATOM 349 O ARG A 70 8.644 -7.458 -2.475 1.00 0.00 O ATOM 350 CB ARG A 70 6.202 -9.865 -2.508 1.00 0.00 C ATOM 351 CG ARG A 70 6.142 -11.361 -2.183 1.00 0.00 C ATOM 352 CD ARG A 70 4.851 -11.878 -2.823 1.00 0.00 C ATOM 353 NE ARG A 70 4.593 -13.319 -2.675 1.00 0.00 N ATOM 354 CZ ARG A 70 5.283 -14.371 -3.130 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.410 -14.220 -3.815 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.819 -15.592 -2.889 1.00 0.00 N ATOM 0 H ARG A 70 5.555 -9.232 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 70 8.045 -9.656 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.198 -9.446 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.529 -9.739 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.012 -11.883 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.138 -11.527 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.011 -11.332 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.875 -11.640 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 70 3.756 -13.553 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.769 -13.285 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.917 -15.039 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.952 -15.714 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.330 -16.408 -3.227 1.00 0.00 H new ATOM 370 N ILE A 71 6.448 -6.934 -2.490 1.00 0.00 N ATOM 371 CA ILE A 71 6.589 -5.637 -3.131 1.00 0.00 C ATOM 372 C ILE A 71 7.594 -4.783 -2.361 1.00 0.00 C ATOM 373 O ILE A 71 8.518 -4.246 -2.976 1.00 0.00 O ATOM 374 CB ILE A 71 5.209 -4.961 -3.298 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.255 -5.800 -4.180 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.391 -3.585 -3.951 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.791 -5.354 -4.079 1.00 0.00 C ATOM 0 H ILE A 71 5.484 -7.168 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 71 6.988 -5.762 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 71 4.768 -4.868 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.578 -5.733 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.330 -6.848 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.419 -3.107 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.026 -2.964 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.858 -3.705 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.174 -5.982 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.453 -5.447 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.704 -4.315 -4.397 1.00 0.00 H new ATOM 389 N ARG A 72 7.445 -4.689 -1.034 1.00 0.00 N ATOM 390 CA ARG A 72 8.338 -3.895 -0.204 1.00 0.00 C ATOM 391 C ARG A 72 9.785 -4.286 -0.417 1.00 0.00 C ATOM 392 O ARG A 72 10.623 -3.411 -0.607 1.00 0.00 O ATOM 393 CB ARG A 72 7.943 -4.029 1.268 1.00 0.00 C ATOM 394 CG ARG A 72 8.712 -3.058 2.163 1.00 0.00 C ATOM 395 CD ARG A 72 8.090 -3.018 3.558 1.00 0.00 C ATOM 396 NE ARG A 72 8.473 -4.154 4.402 1.00 0.00 N ATOM 397 CZ ARG A 72 7.827 -4.506 5.519 1.00 0.00 C ATOM 398 NH1 ARG A 72 6.757 -3.820 5.930 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.270 -5.534 6.228 1.00 0.00 N ATOM 0 H ARG A 72 6.705 -5.161 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 72 8.240 -2.850 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.873 -3.848 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.128 -5.051 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.756 -3.364 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.701 -2.061 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.385 -2.093 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.004 -2.996 3.463 1.00 0.00 H new ATOM 0 HE ARG A 72 9.281 -4.709 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.426 -3.020 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.271 -4.096 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.096 -6.048 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.785 -5.811 7.082 1.00 0.00 H new ATOM 413 N GLN A 73 10.090 -5.579 -0.386 1.00 0.00 N ATOM 414 CA GLN A 73 11.444 -6.056 -0.566 1.00 0.00 C ATOM 415 C GLN A 73 11.952 -5.845 -1.991 1.00 0.00 C ATOM 416 O GLN A 73 13.128 -5.539 -2.185 1.00 0.00 O ATOM 417 CB GLN A 73 11.478 -7.544 -0.188 1.00 0.00 C ATOM 418 CG GLN A 73 12.887 -8.094 0.046 1.00 0.00 C ATOM 419 CD GLN A 73 13.707 -7.222 0.993 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.411 -7.132 2.183 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.745 -6.572 0.483 1.00 0.00 N ATOM 0 H GLN A 73 9.404 -6.318 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 73 12.110 -5.482 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.886 -7.693 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.001 -8.121 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.816 -9.102 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.405 -8.174 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.968 -6.665 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.320 -5.980 1.082 1.00 0.00 H new ATOM 430 N ASN A 74 11.085 -5.993 -2.989 1.00 0.00 N ATOM 431 CA ASN A 74 11.469 -5.849 -4.386 1.00 0.00 C ATOM 432 C ASN A 74 11.847 -4.422 -4.782 1.00 0.00 C ATOM 433 O ASN A 74 12.830 -4.227 -5.505 1.00 0.00 O ATOM 434 CB ASN A 74 10.353 -6.370 -5.309 1.00 0.00 C ATOM 435 CG ASN A 74 10.277 -7.891 -5.282 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.304 -8.554 -5.436 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.100 -8.470 -5.121 1.00 0.00 N ATOM 0 H ASN A 74 10.099 -6.216 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 74 12.369 -6.451 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.396 -5.950 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.534 -6.031 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.028 -9.487 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.264 -7.899 -4.995 1.00 0.00 H new ATOM 444 N GLU A 75 11.112 -3.425 -4.294 1.00 0.00 N ATOM 445 CA GLU A 75 11.318 -2.006 -4.602 1.00 0.00 C ATOM 446 C GLU A 75 11.956 -1.255 -3.417 1.00 0.00 C ATOM 447 O GLU A 75 11.928 -0.027 -3.355 1.00 0.00 O ATOM 448 CB GLU A 75 9.971 -1.394 -5.028 1.00 0.00 C ATOM 449 CG GLU A 75 9.249 -2.141 -6.174 1.00 0.00 C ATOM 450 CD GLU A 75 9.678 -1.727 -7.583 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.879 -1.468 -7.820 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.815 -1.751 -8.498 1.00 0.00 O ATOM 0 H GLU A 75 10.333 -3.584 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 75 12.024 -1.909 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.311 -1.365 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.139 -0.362 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.422 -3.211 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.176 -1.979 -6.074 1.00 0.00 H new ATOM 459 N ILE A 76 12.567 -1.984 -2.476 1.00 0.00 N ATOM 460 CA ILE A 76 13.215 -1.489 -1.254 1.00 0.00 C ATOM 461 C ILE A 76 14.299 -0.419 -1.461 1.00 0.00 C ATOM 462 O ILE A 76 14.745 0.216 -0.501 1.00 0.00 O ATOM 463 CB ILE A 76 13.764 -2.715 -0.486 1.00 0.00 C ATOM 464 CG1 ILE A 76 13.929 -2.467 1.027 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.050 -3.252 -1.144 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.593 -2.347 1.767 1.00 0.00 C ATOM 0 H ILE A 76 12.626 -2.999 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 76 12.457 -0.958 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 76 13.007 -3.495 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.506 -3.283 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.504 -1.554 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.413 -4.113 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.836 -3.551 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.811 -2.472 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.778 -2.173 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.023 -1.513 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.025 -3.269 1.645 1.00 0.00 H new ATOM 478 N ASN A 77 14.769 -0.235 -2.692 1.00 0.00 N ATOM 479 CA ASN A 77 15.798 0.738 -3.037 1.00 0.00 C ATOM 480 C ASN A 77 15.200 1.958 -3.735 1.00 0.00 C ATOM 481 O ASN A 77 15.940 2.783 -4.268 1.00 0.00 O ATOM 482 CB ASN A 77 16.911 0.054 -3.842 1.00 0.00 C ATOM 483 CG ASN A 77 17.770 -0.838 -2.965 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.794 -2.050 -3.151 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.464 -0.276 -1.994 1.00 0.00 N ATOM 0 H ASN A 77 14.437 -0.771 -3.494 1.00 0.00 H new ATOM 0 HA ASN A 77 16.254 1.123 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.469 -0.539 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.537 0.811 -4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.037 -0.852 -1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.427 0.734 -1.860 1.00 0.00 H new ATOM 492 N ASN A 78 13.869 2.080 -3.756 1.00 0.00 N ATOM 493 CA ASN A 78 13.162 3.192 -4.366 1.00 0.00 C ATOM 494 C ASN A 78 12.276 3.825 -3.299 1.00 0.00 C ATOM 495 O ASN A 78 11.474 3.119 -2.676 1.00 0.00 O ATOM 496 CB ASN A 78 12.357 2.735 -5.585 1.00 0.00 C ATOM 497 CG ASN A 78 12.588 3.739 -6.700 1.00 0.00 C ATOM 498 OD1 ASN A 78 13.546 3.635 -7.456 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.741 4.745 -6.804 1.00 0.00 N ATOM 0 H ASN A 78 13.246 1.389 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 78 13.870 3.933 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.670 1.739 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.297 2.673 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.878 5.454 -7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.949 4.813 -6.164 1.00 0.00 H new ATOM 506 N PRO A 79 12.354 5.149 -3.107 1.00 0.00 N ATOM 507 CA PRO A 79 11.589 5.851 -2.093 1.00 0.00 C ATOM 508 C PRO A 79 10.093 5.935 -2.395 1.00 0.00 C ATOM 509 O PRO A 79 9.305 6.198 -1.483 1.00 0.00 O ATOM 510 CB PRO A 79 12.278 7.207 -1.953 1.00 0.00 C ATOM 511 CG PRO A 79 12.828 7.460 -3.353 1.00 0.00 C ATOM 512 CD PRO A 79 13.242 6.068 -3.793 1.00 0.00 C ATOM 0 HA PRO A 79 11.590 5.311 -1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.579 7.985 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.072 7.181 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.075 7.889 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.671 8.150 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.156 5.959 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.282 5.871 -3.535 1.00 0.00 H new ATOM 520 N LYS A 80 9.657 5.677 -3.635 1.00 0.00 N ATOM 521 CA LYS A 80 8.231 5.721 -3.965 1.00 0.00 C ATOM 522 C LYS A 80 7.443 4.686 -3.176 1.00 0.00 C ATOM 523 O LYS A 80 6.306 4.966 -2.816 1.00 0.00 O ATOM 524 CB LYS A 80 7.980 5.446 -5.449 1.00 0.00 C ATOM 525 CG LYS A 80 7.961 6.731 -6.280 1.00 0.00 C ATOM 526 CD LYS A 80 7.323 6.460 -7.649 1.00 0.00 C ATOM 527 CE LYS A 80 8.277 5.580 -8.459 1.00 0.00 C ATOM 528 NZ LYS A 80 7.754 5.207 -9.780 1.00 0.00 N ATOM 0 H LYS A 80 10.266 5.438 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 80 7.901 6.728 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.755 4.781 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.029 4.926 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.401 7.505 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.977 7.105 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.360 5.964 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.135 7.397 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.223 6.106 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.491 4.673 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.450 4.612 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.866 4.678 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.575 6.066 -10.338 1.00 0.00 H new ATOM 542 N PHE A 81 8.040 3.520 -2.936 1.00 0.00 N ATOM 543 CA PHE A 81 7.459 2.392 -2.227 1.00 0.00 C ATOM 544 C PHE A 81 7.779 2.405 -0.734 1.00 0.00 C ATOM 545 O PHE A 81 7.330 1.508 -0.020 1.00 0.00 O ATOM 546 CB PHE A 81 7.984 1.116 -2.885 1.00 0.00 C ATOM 547 CG PHE A 81 7.447 0.824 -4.280 1.00 0.00 C ATOM 548 CD1 PHE A 81 7.859 1.569 -5.402 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.543 -0.238 -4.463 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.341 1.276 -6.677 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.063 -0.562 -5.746 1.00 0.00 C ATOM 552 CZ PHE A 81 6.454 0.206 -6.854 1.00 0.00 C ATOM 0 H PHE A 81 8.992 3.331 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 81 6.373 2.449 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.071 1.178 -2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.745 0.271 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.575 2.368 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.213 -0.811 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.629 1.880 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.395 -1.400 -5.878 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.073 -0.027 -7.838 1.00 0.00 H new ATOM 562 N ASN A 82 8.522 3.398 -0.230 1.00 0.00 N ATOM 563 CA ASN A 82 8.881 3.489 1.181 1.00 0.00 C ATOM 564 C ASN A 82 7.669 3.456 2.115 1.00 0.00 C ATOM 565 O ASN A 82 7.823 3.039 3.258 1.00 0.00 O ATOM 566 CB ASN A 82 9.710 4.740 1.438 1.00 0.00 C ATOM 567 CG ASN A 82 11.204 4.547 1.303 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.703 3.612 0.679 1.00 0.00 O ATOM 569 ND2 ASN A 82 11.945 5.470 1.876 1.00 0.00 N ATOM 0 H ASN A 82 8.890 4.162 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 82 9.474 2.603 1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.394 5.518 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.494 5.103 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.962 5.422 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.503 6.234 2.387 1.00 0.00 H new ATOM 576 N PHE A 83 6.469 3.830 1.654 1.00 0.00 N ATOM 577 CA PHE A 83 5.251 3.817 2.460 1.00 0.00 C ATOM 578 C PHE A 83 4.947 2.407 2.984 1.00 0.00 C ATOM 579 O PHE A 83 4.197 2.260 3.950 1.00 0.00 O ATOM 580 CB PHE A 83 4.070 4.389 1.659 1.00 0.00 C ATOM 581 CG PHE A 83 3.677 3.575 0.437 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.888 2.417 0.581 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.107 3.953 -0.849 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.586 1.626 -0.538 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.854 3.133 -1.954 1.00 0.00 C ATOM 586 CZ PHE A 83 3.094 1.968 -1.799 1.00 0.00 C ATOM 0 H PHE A 83 6.319 4.153 0.698 1.00 0.00 H new ATOM 0 HA PHE A 83 5.408 4.456 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.206 4.469 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.321 5.400 1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.515 2.137 1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.637 4.884 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.961 0.752 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.245 3.399 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.899 1.333 -2.650 1.00 0.00 H new ATOM 596 N LEU A 84 5.502 1.366 2.352 1.00 0.00 N ATOM 597 CA LEU A 84 5.320 -0.021 2.748 1.00 0.00 C ATOM 598 C LEU A 84 6.079 -0.315 4.048 1.00 0.00 C ATOM 599 O LEU A 84 5.745 -1.281 4.742 1.00 0.00 O ATOM 600 CB LEU A 84 5.754 -0.946 1.598 1.00 0.00 C ATOM 601 CG LEU A 84 4.794 -0.943 0.398 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.362 -1.796 -0.738 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.421 -1.496 0.793 1.00 0.00 C ATOM 0 H LEU A 84 6.102 1.475 1.534 1.00 0.00 H new ATOM 0 HA LEU A 84 4.265 -0.209 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.745 -0.646 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.842 -1.964 1.977 1.00 0.00 H new ATOM 0 HG LEU A 84 4.682 0.089 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.672 -1.785 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.324 -1.391 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.495 -2.821 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.760 -1.483 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.530 -2.520 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.994 -0.879 1.584 1.00 0.00 H new ATOM 615 N ASN A 85 7.116 0.463 4.371 1.00 0.00 N ATOM 616 CA ASN A 85 7.906 0.343 5.593 1.00 0.00 C ATOM 617 C ASN A 85 7.308 1.261 6.669 1.00 0.00 C ATOM 618 O ASN A 85 6.719 2.294 6.356 1.00 0.00 O ATOM 619 CB ASN A 85 9.353 0.805 5.385 1.00 0.00 C ATOM 620 CG ASN A 85 10.299 -0.308 4.990 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.917 -0.955 5.839 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.409 -0.575 3.707 1.00 0.00 N ATOM 0 H ASN A 85 7.437 1.219 3.766 1.00 0.00 H new ATOM 0 HA ASN A 85 7.892 -0.707 5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.371 1.575 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.713 1.266 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.016 -1.332 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.887 -0.025 3.025 1.00 0.00 H new ATOM 629 N PRO A 86 7.544 0.958 7.954 1.00 0.00 N ATOM 630 CA PRO A 86 7.044 1.737 9.088 1.00 0.00 C ATOM 631 C PRO A 86 7.755 3.080 9.284 1.00 0.00 C ATOM 632 O PRO A 86 7.314 3.913 10.081 1.00 0.00 O ATOM 633 CB PRO A 86 7.296 0.847 10.311 1.00 0.00 C ATOM 634 CG PRO A 86 8.487 -0.009 9.889 1.00 0.00 C ATOM 635 CD PRO A 86 8.240 -0.230 8.408 1.00 0.00 C ATOM 0 HA PRO A 86 5.997 1.992 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.521 1.439 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.426 0.235 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.434 0.500 10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.522 -0.950 10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.178 -0.366 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.642 -1.125 8.238 1.00 0.00 H new ATOM 643 N ASN A 87 8.877 3.299 8.600 1.00 0.00 N ATOM 644 CA ASN A 87 9.674 4.518 8.706 1.00 0.00 C ATOM 645 C ASN A 87 9.054 5.684 7.925 1.00 0.00 C ATOM 646 O ASN A 87 9.603 6.787 7.959 1.00 0.00 O ATOM 647 CB ASN A 87 11.131 4.242 8.288 1.00 0.00 C ATOM 648 CG ASN A 87 11.686 2.958 8.897 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.618 1.853 8.176 1.00 0.00 O flip ATOM 650 ND2 ASN A 87 12.107 2.903 10.051 1.00 0.00 N flip ATOM 0 H ASN A 87 9.264 2.620 7.944 1.00 0.00 H new ATOM 0 HA ASN A 87 9.679 4.829 9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.187 4.177 7.201 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.756 5.082 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.163 3.751 10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.400 2.009 10.445 1.00 0.00 H new ATOM 657 N ASP A 88 7.938 5.475 7.215 1.00 0.00 N ATOM 658 CA ASP A 88 7.248 6.511 6.441 1.00 0.00 C ATOM 659 C ASP A 88 5.993 6.954 7.199 1.00 0.00 C ATOM 660 O ASP A 88 5.333 6.129 7.838 1.00 0.00 O ATOM 661 CB ASP A 88 6.873 5.995 5.040 1.00 0.00 C ATOM 662 CG ASP A 88 7.837 6.482 3.958 1.00 0.00 C ATOM 663 OD1 ASP A 88 9.050 6.588 4.240 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.375 6.765 2.823 1.00 0.00 O ATOM 0 H ASP A 88 7.482 4.564 7.162 1.00 0.00 H new ATOM 0 HA ASP A 88 7.917 7.362 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.863 4.905 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.862 6.321 4.795 1.00 0.00 H new ATOM 669 N PRO A 89 5.608 8.237 7.108 1.00 0.00 N ATOM 670 CA PRO A 89 4.444 8.783 7.792 1.00 0.00 C ATOM 671 C PRO A 89 3.123 8.306 7.187 1.00 0.00 C ATOM 672 O PRO A 89 2.124 8.178 7.899 1.00 0.00 O ATOM 673 CB PRO A 89 4.594 10.301 7.682 1.00 0.00 C ATOM 674 CG PRO A 89 5.485 10.528 6.465 1.00 0.00 C ATOM 675 CD PRO A 89 6.315 9.264 6.369 1.00 0.00 C ATOM 0 HA PRO A 89 4.407 8.445 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.625 10.784 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.044 10.718 8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.894 10.685 5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.114 11.409 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.448 8.968 5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.310 9.423 6.785 1.00 0.00 H new ATOM 683 N TYR A 90 3.091 8.013 5.889 1.00 0.00 N ATOM 684 CA TYR A 90 1.878 7.548 5.224 1.00 0.00 C ATOM 685 C TYR A 90 1.584 6.089 5.546 1.00 0.00 C ATOM 686 O TYR A 90 0.480 5.629 5.275 1.00 0.00 O ATOM 687 CB TYR A 90 1.989 7.759 3.716 1.00 0.00 C ATOM 688 CG TYR A 90 1.836 9.217 3.341 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.906 10.112 3.515 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.589 9.695 2.899 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.741 11.483 3.269 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.414 11.064 2.648 1.00 0.00 C ATOM 693 CZ TYR A 90 1.482 11.965 2.851 1.00 0.00 C ATOM 694 OH TYR A 90 1.266 13.295 2.679 1.00 0.00 O ATOM 0 H TYR A 90 3.900 8.091 5.273 1.00 0.00 H new ATOM 0 HA TYR A 90 1.042 8.137 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.955 7.393 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.224 7.171 3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.866 9.740 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.232 9.009 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.570 12.164 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.540 11.430 2.299 1.00 0.00 H new ATOM 0 HH TYR A 90 0.342 13.441 2.388 1.00 0.00 H new ATOM 704 N HIS A 91 2.526 5.376 6.166 1.00 0.00 N ATOM 705 CA HIS A 91 2.361 3.976 6.516 1.00 0.00 C ATOM 706 C HIS A 91 1.090 3.734 7.335 1.00 0.00 C ATOM 707 O HIS A 91 0.331 2.831 7.007 1.00 0.00 O ATOM 708 CB HIS A 91 3.605 3.511 7.263 1.00 0.00 C ATOM 709 CG HIS A 91 3.644 2.029 7.489 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.939 1.099 6.525 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.456 1.368 8.670 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.999 -0.097 7.122 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.737 0.022 8.433 1.00 0.00 N ATOM 0 H HIS A 91 3.430 5.763 6.439 1.00 0.00 H new ATOM 0 HA HIS A 91 2.245 3.393 5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.490 3.809 6.701 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.653 4.019 8.226 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.086 1.285 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.148 1.805 9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.226 -1.026 6.620 1.00 0.00 H new ATOM 721 N ALA A 92 0.816 4.536 8.373 1.00 0.00 N ATOM 722 CA ALA A 92 -0.388 4.354 9.192 1.00 0.00 C ATOM 723 C ALA A 92 -1.671 4.453 8.355 1.00 0.00 C ATOM 724 O ALA A 92 -2.641 3.748 8.640 1.00 0.00 O ATOM 725 CB ALA A 92 -0.410 5.363 10.341 1.00 0.00 C ATOM 0 H ALA A 92 1.409 5.313 8.664 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.353 3.348 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.309 5.214 10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.470 5.220 10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.406 6.375 9.937 1.00 0.00 H new ATOM 731 N TYR A 93 -1.694 5.337 7.355 1.00 0.00 N ATOM 732 CA TYR A 93 -2.841 5.504 6.473 1.00 0.00 C ATOM 733 C TYR A 93 -2.892 4.300 5.532 1.00 0.00 C ATOM 734 O TYR A 93 -3.967 3.743 5.311 1.00 0.00 O ATOM 735 CB TYR A 93 -2.723 6.851 5.760 1.00 0.00 C ATOM 736 CG TYR A 93 -3.499 7.004 4.470 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.905 7.019 4.453 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.789 7.166 3.274 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.601 7.236 3.247 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.473 7.370 2.065 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.882 7.420 2.042 1.00 0.00 C ATOM 742 OH TYR A 93 -5.499 7.680 0.857 1.00 0.00 O ATOM 0 H TYR A 93 -0.914 5.957 7.137 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.787 5.528 7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.049 7.631 6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.670 7.033 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.455 6.863 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.710 7.134 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.681 7.262 3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.917 7.489 1.147 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.332 8.168 1.022 1.00 0.00 H new ATOM 752 N TYR A 94 -1.733 3.836 5.047 1.00 0.00 N ATOM 753 CA TYR A 94 -1.651 2.680 4.167 1.00 0.00 C ATOM 754 C TYR A 94 -2.308 1.478 4.863 1.00 0.00 C ATOM 755 O TYR A 94 -3.088 0.750 4.247 1.00 0.00 O ATOM 756 CB TYR A 94 -0.191 2.385 3.752 1.00 0.00 C ATOM 757 CG TYR A 94 -0.034 1.114 2.931 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.174 1.114 1.531 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.210 -0.100 3.593 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.170 -0.092 0.815 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.234 -1.311 2.880 1.00 0.00 C ATOM 762 CZ TYR A 94 0.025 -1.312 1.489 1.00 0.00 C ATOM 763 OH TYR A 94 0.027 -2.482 0.802 1.00 0.00 O ATOM 0 H TYR A 94 -0.829 4.258 5.259 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.190 2.889 3.243 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.191 3.228 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.424 2.306 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.285 2.050 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.381 -0.103 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.317 -0.084 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.413 -2.241 3.400 1.00 0.00 H new ATOM 0 HH TYR A 94 0.407 -3.190 1.363 1.00 0.00 H new ATOM 773 N ARG A 95 -2.037 1.296 6.164 1.00 0.00 N ATOM 774 CA ARG A 95 -2.606 0.191 6.948 1.00 0.00 C ATOM 775 C ARG A 95 -4.135 0.234 6.908 1.00 0.00 C ATOM 776 O ARG A 95 -4.762 -0.821 6.772 1.00 0.00 O ATOM 777 CB ARG A 95 -2.157 0.208 8.422 1.00 0.00 C ATOM 778 CG ARG A 95 -0.658 0.104 8.735 1.00 0.00 C ATOM 779 CD ARG A 95 0.048 -1.104 8.108 1.00 0.00 C ATOM 780 NE ARG A 95 1.293 -1.423 8.826 1.00 0.00 N ATOM 781 CZ ARG A 95 1.401 -1.899 10.072 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.337 -2.385 10.692 1.00 0.00 N ATOM 783 NH2 ARG A 95 2.565 -1.864 10.706 1.00 0.00 N ATOM 0 H ARG A 95 -1.421 1.907 6.699 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.235 -0.725 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.525 1.131 8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.659 -0.615 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.166 1.014 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.529 0.061 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.617 -1.967 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.271 -0.896 7.062 1.00 0.00 H new ATOM 0 HE ARG A 95 2.165 -1.265 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.567 -2.397 10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.421 -2.747 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.386 -1.472 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.640 -2.229 11.656 1.00 0.00 H new ATOM 797 N HIS A 96 -4.726 1.426 7.070 1.00 0.00 N ATOM 798 CA HIS A 96 -6.171 1.624 7.043 1.00 0.00 C ATOM 799 C HIS A 96 -6.709 1.189 5.696 1.00 0.00 C ATOM 800 O HIS A 96 -7.669 0.421 5.670 1.00 0.00 O ATOM 801 CB HIS A 96 -6.545 3.094 7.333 1.00 0.00 C ATOM 802 CG HIS A 96 -8.028 3.389 7.250 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.767 3.507 6.100 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.884 3.598 8.312 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -10.091 3.749 6.472 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -10.112 3.823 7.812 1.00 0.00 N flip ATOM 0 H HIS A 96 -4.202 2.287 7.225 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.622 1.017 7.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.190 3.357 8.329 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -6.019 3.736 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.616 3.583 9.358 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.936 3.856 5.808 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.941 4.022 8.372 1.00 0.00 H new ATOM 814 N LYS A 97 -6.121 1.665 4.596 1.00 0.00 N ATOM 815 CA LYS A 97 -6.579 1.315 3.260 1.00 0.00 C ATOM 816 C LYS A 97 -6.588 -0.193 3.067 1.00 0.00 C ATOM 817 O LYS A 97 -7.577 -0.694 2.554 1.00 0.00 O ATOM 818 CB LYS A 97 -5.686 1.971 2.219 1.00 0.00 C ATOM 819 CG LYS A 97 -5.715 3.508 2.209 1.00 0.00 C ATOM 820 CD LYS A 97 -7.123 4.092 2.081 1.00 0.00 C ATOM 821 CE LYS A 97 -7.858 3.538 0.860 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.118 4.258 0.617 1.00 0.00 N ATOM 0 H LYS A 97 -5.321 2.298 4.611 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.599 1.679 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.660 1.644 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.979 1.611 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.259 3.878 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.104 3.869 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.693 3.866 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.061 5.178 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.217 3.617 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.066 2.478 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.506 3.977 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.801 4.025 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.938 5.282 0.619 1.00 0.00 H new ATOM 836 N VAL A 98 -5.543 -0.918 3.474 1.00 0.00 N ATOM 837 CA VAL A 98 -5.498 -2.376 3.326 1.00 0.00 C ATOM 838 C VAL A 98 -6.754 -2.978 3.960 1.00 0.00 C ATOM 839 O VAL A 98 -7.460 -3.748 3.318 1.00 0.00 O ATOM 840 CB VAL A 98 -4.209 -2.927 3.961 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.184 -4.462 4.019 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.972 -2.474 3.184 1.00 0.00 C ATOM 0 H VAL A 98 -4.713 -0.517 3.911 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.482 -2.652 2.272 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.195 -2.530 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.252 -4.794 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.026 -4.817 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.256 -4.865 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.077 -2.879 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.035 -2.835 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.921 -1.385 3.184 1.00 0.00 H new ATOM 852 N SER A 99 -7.035 -2.606 5.209 1.00 0.00 N ATOM 853 CA SER A 99 -8.200 -3.082 5.945 1.00 0.00 C ATOM 854 C SER A 99 -9.493 -2.732 5.187 1.00 0.00 C ATOM 855 O SER A 99 -10.388 -3.564 5.063 1.00 0.00 O ATOM 856 CB SER A 99 -8.157 -2.476 7.358 1.00 0.00 C ATOM 857 OG SER A 99 -9.055 -3.095 8.259 1.00 0.00 O ATOM 0 H SER A 99 -6.453 -1.959 5.741 1.00 0.00 H new ATOM 0 HA SER A 99 -8.185 -4.168 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.144 -2.559 7.751 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.389 -1.413 7.297 1.00 0.00 H new ATOM 0 HG SER A 99 -8.981 -2.669 9.139 1.00 0.00 H new ATOM 863 N GLU A 100 -9.582 -1.523 4.644 1.00 0.00 N ATOM 864 CA GLU A 100 -10.713 -0.980 3.900 1.00 0.00 C ATOM 865 C GLU A 100 -11.006 -1.768 2.628 1.00 0.00 C ATOM 866 O GLU A 100 -12.142 -2.185 2.393 1.00 0.00 O ATOM 867 CB GLU A 100 -10.366 0.475 3.553 1.00 0.00 C ATOM 868 CG GLU A 100 -11.473 1.463 3.912 1.00 0.00 C ATOM 869 CD GLU A 100 -11.247 2.844 3.291 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.104 3.182 2.920 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.223 3.617 3.155 1.00 0.00 O ATOM 0 H GLU A 100 -8.817 -0.853 4.716 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.613 -1.045 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.453 0.758 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.157 0.547 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.432 1.069 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.532 1.560 4.996 1.00 0.00 H new ATOM 878 N PHE A 101 -9.978 -1.952 1.798 1.00 0.00 N ATOM 879 CA PHE A 101 -10.068 -2.681 0.549 1.00 0.00 C ATOM 880 C PHE A 101 -10.363 -4.152 0.820 1.00 0.00 C ATOM 881 O PHE A 101 -11.050 -4.795 0.033 1.00 0.00 O ATOM 882 CB PHE A 101 -8.772 -2.497 -0.252 1.00 0.00 C ATOM 883 CG PHE A 101 -8.693 -1.216 -1.066 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.327 -1.155 -2.318 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.893 -0.132 -0.654 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.157 -0.034 -3.145 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.736 0.995 -1.479 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.371 1.050 -2.727 1.00 0.00 C ATOM 0 H PHE A 101 -9.044 -1.588 1.987 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.890 -2.287 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.929 -2.522 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.657 -3.345 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.949 -1.975 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.396 -0.167 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.636 -0.006 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.124 1.822 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.256 1.917 -3.360 1.00 0.00 H new ATOM 898 N LYS A 102 -9.877 -4.699 1.935 1.00 0.00 N ATOM 899 CA LYS A 102 -10.129 -6.100 2.282 1.00 0.00 C ATOM 900 C LYS A 102 -11.612 -6.304 2.546 1.00 0.00 C ATOM 901 O LYS A 102 -12.180 -7.321 2.152 1.00 0.00 O ATOM 902 CB LYS A 102 -9.311 -6.480 3.516 1.00 0.00 C ATOM 903 CG LYS A 102 -7.935 -6.986 3.104 1.00 0.00 C ATOM 904 CD LYS A 102 -6.940 -6.933 4.255 1.00 0.00 C ATOM 905 CE LYS A 102 -6.679 -8.316 4.834 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.238 -8.233 6.233 1.00 0.00 N ATOM 0 H LYS A 102 -9.307 -4.194 2.614 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.830 -6.740 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.207 -5.615 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.834 -7.250 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.019 -8.011 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.562 -6.386 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.002 -6.501 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.322 -6.277 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.587 -8.916 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.919 -8.824 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.068 -9.191 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.359 -7.680 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.975 -7.769 6.802 1.00 0.00 H new ATOM 920 N GLU A 103 -12.235 -5.341 3.221 1.00 0.00 N ATOM 921 CA GLU A 103 -13.657 -5.406 3.527 1.00 0.00 C ATOM 922 C GLU A 103 -14.488 -5.054 2.299 1.00 0.00 C ATOM 923 O GLU A 103 -15.692 -5.280 2.290 1.00 0.00 O ATOM 924 CB GLU A 103 -14.000 -4.390 4.612 1.00 0.00 C ATOM 925 CG GLU A 103 -13.196 -4.607 5.893 1.00 0.00 C ATOM 926 CD GLU A 103 -14.060 -4.904 7.106 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.834 -5.886 7.069 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.875 -4.168 8.107 1.00 0.00 O ATOM 0 H GLU A 103 -11.771 -4.501 3.568 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.880 -6.421 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.813 -3.384 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.064 -4.452 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.501 -5.432 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.597 -3.718 6.092 1.00 0.00 H new ATOM 935 N GLY A 104 -13.868 -4.465 1.276 1.00 0.00 N ATOM 936 CA GLY A 104 -14.550 -4.075 0.053 1.00 0.00 C ATOM 937 C GLY A 104 -15.505 -2.914 0.314 1.00 0.00 C ATOM 938 O GLY A 104 -16.554 -2.827 -0.329 1.00 0.00 O ATOM 0 H GLY A 104 -12.872 -4.246 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.818 -3.787 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.103 -4.924 -0.347 1.00 0.00 H new ATOM 942 N LYS A 105 -15.188 -2.051 1.289 1.00 0.00 N ATOM 943 CA LYS A 105 -16.000 -0.884 1.657 1.00 0.00 C ATOM 944 C LYS A 105 -15.365 0.426 1.210 1.00 0.00 C ATOM 945 O LYS A 105 -16.040 1.457 1.220 1.00 0.00 O ATOM 946 CB LYS A 105 -16.256 -0.871 3.180 1.00 0.00 C ATOM 947 CG LYS A 105 -15.071 -0.292 3.981 1.00 0.00 C ATOM 948 CD LYS A 105 -15.276 -0.296 5.495 1.00 0.00 C ATOM 949 CE LYS A 105 -15.020 -1.692 6.062 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.246 -1.791 7.514 1.00 0.00 N ATOM 0 H LYS A 105 -14.344 -2.147 1.854 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.952 -0.972 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.151 -0.284 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.455 -1.888 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.174 -0.865 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.891 0.732 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.602 0.423 5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.292 0.019 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.667 -2.406 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.992 -1.981 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.707 -2.595 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.931 -0.913 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.259 -1.935 7.699 1.00 0.00 H new ATOM 964 N ALA A 106 -14.067 0.386 0.900 1.00 0.00 N ATOM 965 CA ALA A 106 -13.307 1.542 0.478 1.00 0.00 C ATOM 966 C ALA A 106 -13.844 2.112 -0.825 1.00 0.00 C ATOM 967 O ALA A 106 -14.626 1.465 -1.522 1.00 0.00 O ATOM 968 CB ALA A 106 -11.857 1.125 0.227 1.00 0.00 C ATOM 0 H ALA A 106 -13.514 -0.470 0.939 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.382 2.293 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.279 1.992 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.430 0.722 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.827 0.363 -0.552 1.00 0.00 H new ATOM 974 N GLN A 107 -13.340 3.279 -1.200 1.00 0.00 N ATOM 975 CA GLN A 107 -13.718 3.945 -2.424 1.00 0.00 C ATOM 976 C GLN A 107 -12.488 3.933 -3.313 1.00 0.00 C ATOM 977 O GLN A 107 -11.616 4.800 -3.225 1.00 0.00 O ATOM 978 CB GLN A 107 -14.286 5.327 -2.133 1.00 0.00 C ATOM 979 CG GLN A 107 -15.572 5.193 -1.304 1.00 0.00 C ATOM 980 CD GLN A 107 -16.493 6.385 -1.529 1.00 0.00 C ATOM 981 OE1 GLN A 107 -16.065 7.536 -1.469 1.00 0.00 O ATOM 982 NE2 GLN A 107 -17.754 6.141 -1.842 1.00 0.00 N ATOM 0 H GLN A 107 -12.649 3.791 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.527 3.437 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.553 5.925 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.496 5.849 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -16.089 4.273 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.321 5.118 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -18.091 5.179 -1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -18.389 6.914 -2.039 1.00 0.00 H new ATOM 991 N GLU A 108 -12.377 2.857 -4.085 1.00 0.00 N ATOM 992 CA GLU A 108 -11.307 2.614 -5.029 1.00 0.00 C ATOM 993 C GLU A 108 -11.378 3.675 -6.134 1.00 0.00 C ATOM 994 O GLU A 108 -12.455 4.235 -6.369 1.00 0.00 O ATOM 995 CB GLU A 108 -11.462 1.177 -5.562 1.00 0.00 C ATOM 996 CG GLU A 108 -12.646 0.937 -6.510 1.00 0.00 C ATOM 997 CD GLU A 108 -12.992 -0.553 -6.583 1.00 0.00 C ATOM 998 OE1 GLU A 108 -12.095 -1.393 -6.828 1.00 0.00 O ATOM 999 OE2 GLU A 108 -14.145 -0.929 -6.274 1.00 0.00 O ATOM 0 H GLU A 108 -13.063 2.102 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.322 2.695 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.544 0.902 -6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.561 0.503 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.513 1.500 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.401 1.307 -7.506 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.270 3.981 -6.820 1.00 0.00 N ATOM 1007 CA PRO A 109 -10.273 4.968 -7.886 1.00 0.00 C ATOM 1008 C PRO A 109 -11.030 4.435 -9.102 1.00 0.00 C ATOM 1009 O PRO A 109 -11.528 3.308 -9.103 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.806 5.254 -8.177 1.00 0.00 C ATOM 1011 CG PRO A 109 -8.123 3.949 -7.804 1.00 0.00 C ATOM 1012 CD PRO A 109 -8.951 3.408 -6.638 1.00 0.00 C ATOM 0 HA PRO A 109 -10.788 5.888 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.645 5.509 -9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.432 6.089 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.113 3.252 -8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.085 4.112 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.988 2.319 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.522 3.700 -5.680 1.00 0.00 H new ATOM 1020 N SER A 110 -11.134 5.245 -10.148 1.00 0.00 N ATOM 1021 CA SER A 110 -11.841 4.861 -11.357 1.00 0.00 C ATOM 1022 C SER A 110 -11.237 5.527 -12.570 1.00 0.00 C ATOM 1023 O SER A 110 -10.416 6.460 -12.447 1.00 0.00 O ATOM 1024 CB SER A 110 -13.321 5.224 -11.190 1.00 0.00 C ATOM 1025 OG SER A 110 -14.047 4.792 -12.327 1.00 0.00 O ATOM 0 H SER A 110 -10.732 6.182 -10.180 1.00 0.00 H new ATOM 0 HA SER A 110 -11.751 3.786 -11.514 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.722 4.756 -10.291 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.430 6.301 -11.064 1.00 0.00 H new ATOM 0 HG SER A 110 -14.993 5.023 -12.218 1.00 0.00 H new TER 1031 SER A 110