USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl -125:sc= -0.366 (180deg=0) USER MOD Set 1.2: A 67 GLN : amide:sc= -2.34! C(o=-2.7!,f=-8.3!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.33) USER MOD Set 3.1: A 14 CYS SG : rot 145:sc= -0.0968 USER MOD Set 3.2: A 17 CYS SG : rot -156:sc= -0.524 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.556 (180deg=-1.37!) USER MOD Single : A 1 MET N :NH3+ -161:sc= -4.26! (180deg=-5.16!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -18:sc= 0.828 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.78 K(o=-0.78,f=-4.7!) USER MOD Single : A 12 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00757 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.584 K(o=-0.58,f=-1.4) USER MOD Single : A 37 MET CE :methyl -107:sc= -2.08 (180deg=-6.46!) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.055) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= 0.0379 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 60 GLN :FLIP amide:sc= 0.948 F(o=-0.021,f=0.95) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -2.76! F(o=-3.6,f=-2.8!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.947 -3.488 11.876 1.00 0.00 N ATOM 2 CA MET A 1 2.739 -3.456 11.007 1.00 0.00 C ATOM 3 C MET A 1 2.934 -2.603 9.769 1.00 0.00 C ATOM 4 O MET A 1 2.964 -1.377 9.841 1.00 0.00 O ATOM 5 CB MET A 1 1.568 -2.918 11.818 1.00 0.00 C ATOM 6 CG MET A 1 0.213 -3.154 11.174 1.00 0.00 C ATOM 7 SD MET A 1 -1.150 -2.548 12.186 1.00 0.00 S ATOM 8 CE MET A 1 -0.695 -3.201 13.791 1.00 0.00 C ATOM 0 H1 MET A 1 3.894 -4.307 12.514 1.00 0.00 H new ATOM 0 H2 MET A 1 4.799 -3.565 11.284 1.00 0.00 H new ATOM 0 H3 MET A 1 3.994 -2.614 12.438 1.00 0.00 H new ATOM 0 HA MET A 1 2.544 -4.473 10.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.577 -3.384 12.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.705 -1.847 11.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.186 -2.661 10.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.081 -4.221 10.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.578 -3.246 14.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.282 -4.203 13.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.052 -2.552 14.249 1.00 0.00 H new ATOM 20 N PHE A 2 3.034 -3.264 8.627 1.00 0.00 N ATOM 21 CA PHE A 2 3.201 -2.568 7.365 1.00 0.00 C ATOM 22 C PHE A 2 1.865 -2.025 6.886 1.00 0.00 C ATOM 23 O PHE A 2 0.823 -2.654 7.072 1.00 0.00 O ATOM 24 CB PHE A 2 3.803 -3.502 6.318 1.00 0.00 C ATOM 25 CG PHE A 2 5.219 -3.896 6.623 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.272 -3.066 6.277 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.494 -5.093 7.261 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.575 -3.422 6.563 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.794 -5.457 7.549 1.00 0.00 C ATOM 30 CZ PHE A 2 7.836 -4.622 7.200 1.00 0.00 C ATOM 0 H PHE A 2 3.002 -4.281 8.550 1.00 0.00 H new ATOM 0 HA PHE A 2 3.884 -1.732 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.190 -4.400 6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.770 -3.015 5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.072 -2.129 5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.682 -5.750 7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.388 -2.766 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.995 -6.394 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.854 -4.905 7.424 1.00 0.00 H new ATOM 40 N LYS A 3 1.898 -0.850 6.279 1.00 0.00 N ATOM 41 CA LYS A 3 0.687 -0.216 5.782 1.00 0.00 C ATOM 42 C LYS A 3 0.645 -0.259 4.263 1.00 0.00 C ATOM 43 O LYS A 3 1.531 0.270 3.596 1.00 0.00 O ATOM 44 CB LYS A 3 0.614 1.235 6.263 1.00 0.00 C ATOM 45 CG LYS A 3 0.010 1.389 7.648 1.00 0.00 C ATOM 46 CD LYS A 3 1.075 1.312 8.731 1.00 0.00 C ATOM 47 CE LYS A 3 0.851 2.360 9.810 1.00 0.00 C ATOM 48 NZ LYS A 3 1.190 1.843 11.164 1.00 0.00 N ATOM 0 H LYS A 3 2.751 -0.315 6.118 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.171 -0.764 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.618 1.659 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.025 1.815 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.511 2.344 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.733 0.609 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.067 0.319 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.060 1.453 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.459 3.239 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.191 2.681 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.024 2.587 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.593 1.020 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.191 1.561 11.187 1.00 0.00 H new ATOM 62 N VAL A 4 -0.382 -0.893 3.713 1.00 0.00 N ATOM 63 CA VAL A 4 -0.507 -0.981 2.265 1.00 0.00 C ATOM 64 C VAL A 4 -1.566 -0.033 1.734 1.00 0.00 C ATOM 65 O VAL A 4 -2.719 -0.056 2.166 1.00 0.00 O ATOM 66 CB VAL A 4 -0.834 -2.404 1.779 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.157 -2.402 0.292 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.323 -3.333 2.050 1.00 0.00 C ATOM 0 H VAL A 4 -1.129 -1.347 4.238 1.00 0.00 H new ATOM 0 HA VAL A 4 0.471 -0.697 1.875 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.707 -2.757 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.385 -3.417 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.018 -1.760 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.299 -2.027 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.075 -4.335 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.208 -2.974 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.523 -3.362 3.121 1.00 0.00 H new ATOM 78 N TYR A 5 -1.165 0.780 0.770 1.00 0.00 N ATOM 79 CA TYR A 5 -2.068 1.724 0.142 1.00 0.00 C ATOM 80 C TYR A 5 -2.471 1.204 -1.230 1.00 0.00 C ATOM 81 O TYR A 5 -1.716 1.326 -2.191 1.00 0.00 O ATOM 82 CB TYR A 5 -1.398 3.095 0.006 1.00 0.00 C ATOM 83 CG TYR A 5 -1.342 3.894 1.292 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.287 3.269 2.533 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.341 5.281 1.258 1.00 0.00 C ATOM 86 CE1 TYR A 5 -1.236 4.007 3.699 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.289 6.025 2.421 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.239 5.384 3.638 1.00 0.00 C ATOM 89 OH TYR A 5 -1.189 6.120 4.799 1.00 0.00 O ATOM 0 H TYR A 5 -0.213 0.803 0.405 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.956 1.834 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.383 2.955 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.934 3.675 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.284 2.190 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.382 5.788 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.194 3.507 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.288 7.104 2.375 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.197 7.075 4.581 1.00 0.00 H new ATOM 99 N GLY A 6 -3.651 0.606 -1.316 1.00 0.00 N ATOM 100 CA GLY A 6 -4.109 0.067 -2.579 1.00 0.00 C ATOM 101 C GLY A 6 -5.610 -0.122 -2.613 1.00 0.00 C ATOM 102 O GLY A 6 -6.362 0.708 -2.099 1.00 0.00 O ATOM 0 H GLY A 6 -4.297 0.485 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.811 0.736 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.620 -0.890 -2.761 1.00 0.00 H new ATOM 106 N TYR A 7 -6.045 -1.216 -3.225 1.00 0.00 N ATOM 107 CA TYR A 7 -7.457 -1.522 -3.336 1.00 0.00 C ATOM 108 C TYR A 7 -7.797 -2.809 -2.593 1.00 0.00 C ATOM 109 O TYR A 7 -6.916 -3.621 -2.307 1.00 0.00 O ATOM 110 CB TYR A 7 -7.836 -1.655 -4.804 1.00 0.00 C ATOM 111 CG TYR A 7 -7.728 -0.359 -5.568 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.683 0.640 -5.424 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.662 -0.130 -6.427 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.578 1.828 -6.121 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.549 1.055 -7.126 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.508 2.031 -6.971 1.00 0.00 C ATOM 117 OH TYR A 7 -7.400 3.212 -7.668 1.00 0.00 O ATOM 0 H TYR A 7 -5.431 -1.908 -3.654 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.024 -0.709 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.192 -2.399 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.858 -2.027 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.519 0.486 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.907 -0.893 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.329 2.595 -6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.713 1.216 -7.791 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.269 3.664 -7.682 1.00 0.00 H new ATOM 127 N ASP A 8 -9.074 -2.989 -2.280 1.00 0.00 N ATOM 128 CA ASP A 8 -9.520 -4.180 -1.571 1.00 0.00 C ATOM 129 C ASP A 8 -9.700 -5.350 -2.534 1.00 0.00 C ATOM 130 O ASP A 8 -8.848 -6.236 -2.612 1.00 0.00 O ATOM 131 CB ASP A 8 -10.827 -3.900 -0.831 1.00 0.00 C ATOM 132 CG ASP A 8 -10.590 -3.437 0.592 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.475 -2.956 0.882 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.519 -3.556 1.418 1.00 0.00 O ATOM 0 H ASP A 8 -9.817 -2.327 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.754 -4.449 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.392 -3.139 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.438 -4.803 -0.821 1.00 0.00 H new ATOM 139 N SER A 9 -10.812 -5.348 -3.266 1.00 0.00 N ATOM 140 CA SER A 9 -11.104 -6.411 -4.230 1.00 0.00 C ATOM 141 C SER A 9 -12.532 -6.290 -4.754 1.00 0.00 C ATOM 142 O SER A 9 -12.802 -6.582 -5.920 1.00 0.00 O ATOM 143 CB SER A 9 -10.906 -7.793 -3.595 1.00 0.00 C ATOM 144 OG SER A 9 -11.511 -8.804 -4.382 1.00 0.00 O ATOM 0 H SER A 9 -11.527 -4.623 -3.211 1.00 0.00 H new ATOM 0 HA SER A 9 -10.410 -6.301 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.841 -7.999 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.335 -7.802 -2.593 1.00 0.00 H new ATOM 0 HG SER A 9 -11.370 -9.676 -3.958 1.00 0.00 H new ATOM 150 N ASN A 10 -13.440 -5.858 -3.883 1.00 0.00 N ATOM 151 CA ASN A 10 -14.845 -5.699 -4.244 1.00 0.00 C ATOM 152 C ASN A 10 -15.100 -4.348 -4.904 1.00 0.00 C ATOM 153 O ASN A 10 -16.076 -4.177 -5.635 1.00 0.00 O ATOM 154 CB ASN A 10 -15.722 -5.834 -2.999 1.00 0.00 C ATOM 155 CG ASN A 10 -15.439 -7.106 -2.223 1.00 0.00 C ATOM 156 OD1 ASN A 10 -14.447 -7.793 -2.470 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.315 -7.426 -1.278 1.00 0.00 N ATOM 0 H ASN A 10 -13.226 -5.611 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.097 -6.482 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.561 -4.973 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.771 -5.818 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.180 -8.271 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.123 -6.827 -1.108 1.00 0.00 H new ATOM 164 N ILE A 11 -14.224 -3.386 -4.639 1.00 0.00 N ATOM 165 CA ILE A 11 -14.369 -2.050 -5.204 1.00 0.00 C ATOM 166 C ILE A 11 -13.593 -1.901 -6.508 1.00 0.00 C ATOM 167 O ILE A 11 -14.053 -1.243 -7.444 1.00 0.00 O ATOM 168 CB ILE A 11 -13.879 -0.960 -4.228 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.440 -1.184 -2.823 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.265 0.417 -4.745 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.659 -2.200 -2.018 1.00 0.00 C ATOM 0 H ILE A 11 -13.408 -3.505 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.435 -1.921 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.792 -1.021 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.447 -0.235 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.476 -1.513 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.914 1.179 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.809 0.580 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.349 0.481 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.112 -2.309 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.673 -3.161 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.628 -1.863 -1.908 1.00 0.00 H new ATOM 183 N HIS A 12 -12.406 -2.493 -6.554 1.00 0.00 N ATOM 184 CA HIS A 12 -11.554 -2.404 -7.732 1.00 0.00 C ATOM 185 C HIS A 12 -10.589 -3.590 -7.779 1.00 0.00 C ATOM 186 O HIS A 12 -10.149 -4.087 -6.742 1.00 0.00 O ATOM 187 CB HIS A 12 -10.808 -1.070 -7.708 1.00 0.00 C ATOM 188 CG HIS A 12 -10.290 -0.617 -9.044 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.062 -0.525 -10.183 1.00 0.00 N ATOM 190 CD2 HIS A 12 -9.041 -0.235 -9.412 1.00 0.00 C ATOM 191 CE1 HIS A 12 -10.269 -0.114 -11.186 1.00 0.00 C ATOM 192 NE2 HIS A 12 -9.034 0.074 -10.771 1.00 0.00 N ATOM 0 H HIS A 12 -12.012 -3.040 -5.789 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.162 -2.445 -8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.475 -0.303 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.969 -1.150 -7.016 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.186 -0.179 -8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.602 0.042 -12.202 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.237 0.382 -11.328 1.00 0.00 H new ATOM 200 N LYS A 13 -10.298 -4.058 -8.988 1.00 0.00 N ATOM 201 CA LYS A 13 -9.421 -5.219 -9.176 1.00 0.00 C ATOM 202 C LYS A 13 -7.969 -4.938 -8.797 1.00 0.00 C ATOM 203 O LYS A 13 -7.524 -3.791 -8.763 1.00 0.00 O ATOM 204 CB LYS A 13 -9.484 -5.724 -10.619 1.00 0.00 C ATOM 205 CG LYS A 13 -9.209 -7.219 -10.749 1.00 0.00 C ATOM 206 CD LYS A 13 -8.828 -7.615 -12.167 1.00 0.00 C ATOM 207 CE LYS A 13 -8.393 -9.071 -12.232 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.522 -9.349 -13.409 1.00 0.00 N ATOM 0 H LYS A 13 -10.654 -3.655 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.793 -5.989 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.470 -5.506 -11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.760 -5.175 -11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.405 -7.499 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.094 -7.777 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.676 -7.456 -12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.020 -6.975 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.858 -9.329 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.275 -9.710 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.251 -10.353 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.040 -9.128 -14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.667 -8.760 -13.355 1.00 0.00 H new ATOM 222 N CYS A 14 -7.238 -6.021 -8.511 1.00 0.00 N ATOM 223 CA CYS A 14 -5.832 -5.943 -8.126 1.00 0.00 C ATOM 224 C CYS A 14 -5.294 -7.324 -7.751 1.00 0.00 C ATOM 225 O CYS A 14 -5.713 -7.911 -6.754 1.00 0.00 O ATOM 226 CB CYS A 14 -5.658 -4.993 -6.942 1.00 0.00 C ATOM 227 SG CYS A 14 -6.880 -5.218 -5.626 1.00 0.00 S ATOM 0 H CYS A 14 -7.607 -6.972 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.270 -5.565 -8.980 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.661 -5.130 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.714 -3.966 -7.303 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.320 -5.005 -4.472 1.00 0.00 H new ATOM 233 N VAL A 15 -4.359 -7.840 -8.546 1.00 0.00 N ATOM 234 CA VAL A 15 -3.768 -9.152 -8.278 1.00 0.00 C ATOM 235 C VAL A 15 -2.532 -9.027 -7.395 1.00 0.00 C ATOM 236 O VAL A 15 -2.276 -9.876 -6.541 1.00 0.00 O ATOM 237 CB VAL A 15 -3.370 -9.878 -9.576 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.599 -10.412 -10.293 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.571 -8.958 -10.484 1.00 0.00 C ATOM 0 H VAL A 15 -3.995 -7.374 -9.377 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.533 -9.734 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.738 -10.726 -9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.294 -10.921 -11.207 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.123 -11.114 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.263 -9.584 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.300 -9.491 -11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.173 -8.086 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.666 -8.636 -9.970 1.00 0.00 H new ATOM 249 N TYR A 16 -1.764 -7.963 -7.614 1.00 0.00 N ATOM 250 CA TYR A 16 -0.549 -7.726 -6.845 1.00 0.00 C ATOM 251 C TYR A 16 -0.866 -7.540 -5.368 1.00 0.00 C ATOM 252 O TYR A 16 -0.049 -7.856 -4.503 1.00 0.00 O ATOM 253 CB TYR A 16 0.191 -6.503 -7.387 1.00 0.00 C ATOM 254 CG TYR A 16 1.302 -6.856 -8.347 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.572 -7.171 -7.884 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.080 -6.879 -9.719 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.591 -7.499 -8.757 1.00 0.00 C ATOM 258 CE2 TYR A 16 2.093 -7.207 -10.600 1.00 0.00 C ATOM 259 CZ TYR A 16 3.346 -7.516 -10.115 1.00 0.00 C ATOM 260 OH TYR A 16 4.358 -7.843 -10.988 1.00 0.00 O ATOM 0 H TYR A 16 -1.963 -7.252 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 16 0.093 -8.601 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.521 -5.849 -7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.607 -5.939 -6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.767 -7.159 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.100 -6.637 -10.103 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.573 -7.741 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.904 -7.221 -11.663 1.00 0.00 H new ATOM 0 HH TYR A 16 4.021 -7.809 -11.907 1.00 0.00 H new ATOM 270 N CYS A 17 -2.058 -7.029 -5.080 1.00 0.00 N ATOM 271 CA CYS A 17 -2.476 -6.813 -3.701 1.00 0.00 C ATOM 272 C CYS A 17 -2.437 -8.125 -2.925 1.00 0.00 C ATOM 273 O CYS A 17 -1.895 -8.194 -1.824 1.00 0.00 O ATOM 274 CB CYS A 17 -3.888 -6.224 -3.659 1.00 0.00 C ATOM 275 SG CYS A 17 -3.938 -4.417 -3.714 1.00 0.00 S ATOM 0 H CYS A 17 -2.749 -6.758 -5.780 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.786 -6.108 -3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.459 -6.618 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.384 -6.563 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.044 -3.997 -3.175 1.00 0.00 H new ATOM 281 N ASP A 18 -3.014 -9.163 -3.519 1.00 0.00 N ATOM 282 CA ASP A 18 -3.055 -10.484 -2.898 1.00 0.00 C ATOM 283 C ASP A 18 -1.648 -11.029 -2.647 1.00 0.00 C ATOM 284 O ASP A 18 -1.439 -11.825 -1.732 1.00 0.00 O ATOM 285 CB ASP A 18 -3.836 -11.458 -3.784 1.00 0.00 C ATOM 286 CG ASP A 18 -5.291 -11.568 -3.378 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.920 -10.516 -3.132 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.805 -12.704 -3.304 1.00 0.00 O ATOM 0 H ASP A 18 -3.462 -9.116 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.557 -10.383 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.775 -11.130 -4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.372 -12.443 -3.733 1.00 0.00 H new ATOM 293 N ASN A 19 -0.690 -10.606 -3.468 1.00 0.00 N ATOM 294 CA ASN A 19 0.689 -11.066 -3.326 1.00 0.00 C ATOM 295 C ASN A 19 1.359 -10.431 -2.111 1.00 0.00 C ATOM 296 O ASN A 19 1.843 -11.131 -1.221 1.00 0.00 O ATOM 297 CB ASN A 19 1.495 -10.755 -4.590 1.00 0.00 C ATOM 298 CG ASN A 19 1.276 -11.783 -5.684 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.889 -12.851 -5.680 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.399 -11.465 -6.628 1.00 0.00 N ATOM 0 H ASN A 19 -0.841 -9.950 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 19 0.664 -12.146 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.217 -9.769 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.555 -10.714 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.210 -12.117 -7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.087 -10.569 -6.592 1.00 0.00 H new ATOM 307 N ALA A 20 1.387 -9.102 -2.081 1.00 0.00 N ATOM 308 CA ALA A 20 2.001 -8.376 -0.975 1.00 0.00 C ATOM 309 C ALA A 20 1.402 -8.795 0.364 1.00 0.00 C ATOM 310 O ALA A 20 2.053 -8.698 1.405 1.00 0.00 O ATOM 311 CB ALA A 20 1.849 -6.877 -1.181 1.00 0.00 C ATOM 0 H ALA A 20 0.992 -8.507 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 20 3.062 -8.624 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.311 -6.347 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.336 -6.586 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.790 -6.622 -1.230 1.00 0.00 H new ATOM 317 N LYS A 21 0.159 -9.267 0.332 1.00 0.00 N ATOM 318 CA LYS A 21 -0.521 -9.705 1.547 1.00 0.00 C ATOM 319 C LYS A 21 0.129 -10.974 2.090 1.00 0.00 C ATOM 320 O LYS A 21 0.602 -11.007 3.226 1.00 0.00 O ATOM 321 CB LYS A 21 -2.004 -9.956 1.264 1.00 0.00 C ATOM 322 CG LYS A 21 -2.927 -9.449 2.360 1.00 0.00 C ATOM 323 CD LYS A 21 -4.381 -9.472 1.917 1.00 0.00 C ATOM 324 CE LYS A 21 -5.133 -8.245 2.407 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.578 -8.302 2.057 1.00 0.00 N ATOM 0 H LYS A 21 -0.396 -9.356 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.434 -8.918 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.272 -9.475 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.164 -11.026 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.807 -10.064 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.645 -8.432 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.430 -9.520 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.864 -10.372 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.025 -8.161 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.689 -7.350 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.054 -7.447 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.683 -8.356 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.008 -9.142 2.493 1.00 0.00 H new ATOM 339 N ARG A 22 0.157 -12.015 1.263 1.00 0.00 N ATOM 340 CA ARG A 22 0.758 -13.285 1.654 1.00 0.00 C ATOM 341 C ARG A 22 2.250 -13.112 1.919 1.00 0.00 C ATOM 342 O ARG A 22 2.834 -13.831 2.730 1.00 0.00 O ATOM 343 CB ARG A 22 0.539 -14.335 0.562 1.00 0.00 C ATOM 344 CG ARG A 22 -0.748 -15.126 0.730 1.00 0.00 C ATOM 345 CD ARG A 22 -0.579 -16.568 0.280 1.00 0.00 C ATOM 346 NE ARG A 22 -1.840 -17.304 0.316 1.00 0.00 N ATOM 347 CZ ARG A 22 -2.055 -18.439 -0.347 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.097 -18.972 -1.095 1.00 0.00 N ATOM 349 NH2 ARG A 22 -3.232 -19.045 -0.260 1.00 0.00 N ATOM 0 H ARG A 22 -0.229 -12.004 0.319 1.00 0.00 H new ATOM 0 HA ARG A 22 0.277 -13.624 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.528 -13.840 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.382 -15.025 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.056 -15.104 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.544 -14.655 0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.177 -16.587 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.149 -17.065 0.921 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.600 -16.927 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.189 -18.512 -1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.269 -19.841 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.972 -18.642 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.397 -19.914 -0.768 1.00 0.00 H new ATOM 363 N LEU A 23 2.856 -12.141 1.238 1.00 0.00 N ATOM 364 CA LEU A 23 4.277 -11.854 1.398 1.00 0.00 C ATOM 365 C LEU A 23 4.595 -11.574 2.859 1.00 0.00 C ATOM 366 O LEU A 23 5.437 -12.235 3.464 1.00 0.00 O ATOM 367 CB LEU A 23 4.659 -10.642 0.539 1.00 0.00 C ATOM 368 CG LEU A 23 6.149 -10.493 0.213 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.422 -9.126 -0.399 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.001 -10.689 1.457 1.00 0.00 C ATOM 0 H LEU A 23 2.380 -11.538 0.567 1.00 0.00 H new ATOM 0 HA LEU A 23 4.853 -12.721 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.106 -10.697 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.327 -9.739 1.052 1.00 0.00 H new ATOM 0 HG LEU A 23 6.416 -11.264 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.484 -9.034 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.845 -9.016 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.133 -8.347 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.054 -10.578 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.731 -9.943 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.830 -11.687 1.862 1.00 0.00 H new ATOM 382 N LEU A 24 3.904 -10.592 3.425 1.00 0.00 N ATOM 383 CA LEU A 24 4.110 -10.225 4.820 1.00 0.00 C ATOM 384 C LEU A 24 3.878 -11.426 5.730 1.00 0.00 C ATOM 385 O LEU A 24 4.609 -11.639 6.698 1.00 0.00 O ATOM 386 CB LEU A 24 3.175 -9.077 5.214 1.00 0.00 C ATOM 387 CG LEU A 24 3.147 -7.877 4.257 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.948 -6.587 5.035 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.422 -7.795 3.430 1.00 0.00 C ATOM 0 H LEU A 24 3.198 -10.037 2.941 1.00 0.00 H new ATOM 0 HA LEU A 24 5.142 -9.894 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.163 -9.472 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.464 -8.722 6.203 1.00 0.00 H new ATOM 0 HG LEU A 24 2.310 -8.017 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.930 -5.744 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.004 -6.631 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.767 -6.459 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.369 -6.934 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.280 -7.687 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.532 -8.705 2.840 1.00 0.00 H new ATOM 401 N THR A 25 2.856 -12.213 5.406 1.00 0.00 N ATOM 402 CA THR A 25 2.529 -13.398 6.187 1.00 0.00 C ATOM 403 C THR A 25 3.707 -14.370 6.194 1.00 0.00 C ATOM 404 O THR A 25 3.964 -15.047 7.188 1.00 0.00 O ATOM 405 CB THR A 25 1.289 -14.086 5.611 1.00 0.00 C ATOM 406 OG1 THR A 25 0.303 -13.131 5.260 1.00 0.00 O ATOM 407 CG2 THR A 25 0.653 -15.073 6.566 1.00 0.00 C ATOM 0 H THR A 25 2.241 -12.050 4.608 1.00 0.00 H new ATOM 0 HA THR A 25 2.319 -13.091 7.212 1.00 0.00 H new ATOM 0 HB THR A 25 1.642 -14.630 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.481 -13.590 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.220 -15.524 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.373 -15.852 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.348 -14.555 7.475 1.00 0.00 H new ATOM 415 N VAL A 26 4.421 -14.420 5.073 1.00 0.00 N ATOM 416 CA VAL A 26 5.577 -15.300 4.931 1.00 0.00 C ATOM 417 C VAL A 26 6.676 -14.941 5.927 1.00 0.00 C ATOM 418 O VAL A 26 7.186 -15.803 6.641 1.00 0.00 O ATOM 419 CB VAL A 26 6.151 -15.229 3.500 1.00 0.00 C ATOM 420 CG1 VAL A 26 7.232 -16.275 3.300 1.00 0.00 C ATOM 421 CG2 VAL A 26 5.043 -15.395 2.470 1.00 0.00 C ATOM 0 H VAL A 26 4.218 -13.859 4.246 1.00 0.00 H new ATOM 0 HA VAL A 26 5.233 -16.314 5.134 1.00 0.00 H new ATOM 0 HB VAL A 26 6.602 -14.246 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.622 -16.206 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.040 -16.104 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.812 -17.268 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.467 -15.342 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.559 -16.362 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.308 -14.600 2.595 1.00 0.00 H new ATOM 431 N LYS A 27 7.044 -13.664 5.961 1.00 0.00 N ATOM 432 CA LYS A 27 8.090 -13.188 6.865 1.00 0.00 C ATOM 433 C LYS A 27 7.657 -13.299 8.324 1.00 0.00 C ATOM 434 O LYS A 27 8.488 -13.226 9.230 1.00 0.00 O ATOM 435 CB LYS A 27 8.444 -11.734 6.542 1.00 0.00 C ATOM 436 CG LYS A 27 9.934 -11.497 6.330 1.00 0.00 C ATOM 437 CD LYS A 27 10.484 -10.380 7.214 1.00 0.00 C ATOM 438 CE LYS A 27 9.639 -9.114 7.153 1.00 0.00 C ATOM 439 NZ LYS A 27 10.035 -8.133 8.201 1.00 0.00 N ATOM 0 H LYS A 27 6.634 -12.938 5.373 1.00 0.00 H new ATOM 0 HA LYS A 27 8.967 -13.818 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.906 -11.429 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.096 -11.096 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.477 -12.419 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.113 -11.249 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.534 -10.729 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.503 -10.147 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.741 -8.656 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.587 -9.373 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.437 -7.285 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.913 -8.561 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.031 -7.866 8.068 1.00 0.00 H new ATOM 453 N LYS A 28 6.353 -13.457 8.549 1.00 0.00 N ATOM 454 CA LYS A 28 5.815 -13.558 9.903 1.00 0.00 C ATOM 455 C LYS A 28 5.785 -12.183 10.559 1.00 0.00 C ATOM 456 O LYS A 28 6.135 -12.028 11.730 1.00 0.00 O ATOM 457 CB LYS A 28 6.643 -14.530 10.751 1.00 0.00 C ATOM 458 CG LYS A 28 5.805 -15.378 11.695 1.00 0.00 C ATOM 459 CD LYS A 28 5.513 -14.645 12.994 1.00 0.00 C ATOM 460 CE LYS A 28 4.235 -13.828 12.896 1.00 0.00 C ATOM 461 NZ LYS A 28 3.051 -14.590 13.381 1.00 0.00 N ATOM 0 H LYS A 28 5.651 -13.518 7.811 1.00 0.00 H new ATOM 0 HA LYS A 28 4.798 -13.944 9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.207 -15.187 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.370 -13.963 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.867 -15.646 11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.329 -16.309 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.425 -15.365 13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.348 -13.989 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.343 -12.914 13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.074 -13.528 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.200 -13.999 13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.933 -15.450 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.193 -14.855 14.377 1.00 0.00 H new ATOM 475 N GLN A 29 5.361 -11.187 9.789 1.00 0.00 N ATOM 476 CA GLN A 29 5.277 -9.821 10.277 1.00 0.00 C ATOM 477 C GLN A 29 3.842 -9.319 10.185 1.00 0.00 C ATOM 478 O GLN A 29 3.157 -9.569 9.192 1.00 0.00 O ATOM 479 CB GLN A 29 6.203 -8.907 9.464 1.00 0.00 C ATOM 480 CG GLN A 29 7.024 -7.952 10.315 1.00 0.00 C ATOM 481 CD GLN A 29 7.829 -8.663 11.385 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.601 -9.576 11.095 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.657 -8.239 12.633 1.00 0.00 N ATOM 0 H GLN A 29 5.069 -11.304 8.819 1.00 0.00 H new ATOM 0 HA GLN A 29 5.593 -9.804 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.879 -9.524 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.602 -8.329 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.700 -7.389 9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.358 -7.230 10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.006 -7.478 12.828 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.176 -8.674 13.396 1.00 0.00 H new ATOM 492 N PRO A 30 3.363 -8.597 11.208 1.00 0.00 N ATOM 493 CA PRO A 30 2.006 -8.059 11.207 1.00 0.00 C ATOM 494 C PRO A 30 1.892 -6.873 10.269 1.00 0.00 C ATOM 495 O PRO A 30 2.895 -6.243 9.946 1.00 0.00 O ATOM 496 CB PRO A 30 1.809 -7.616 12.654 1.00 0.00 C ATOM 497 CG PRO A 30 3.178 -7.235 13.093 1.00 0.00 C ATOM 498 CD PRO A 30 4.100 -8.226 12.434 1.00 0.00 C ATOM 0 HA PRO A 30 1.262 -8.781 10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.117 -6.777 12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.400 -8.419 13.267 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.417 -6.215 12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.268 -7.276 14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.070 -7.785 12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.286 -9.091 13.071 1.00 0.00 H new ATOM 506 N PHE A 31 0.679 -6.569 9.829 1.00 0.00 N ATOM 507 CA PHE A 31 0.469 -5.450 8.919 1.00 0.00 C ATOM 508 C PHE A 31 -0.990 -5.001 8.905 1.00 0.00 C ATOM 509 O PHE A 31 -1.860 -5.666 9.469 1.00 0.00 O ATOM 510 CB PHE A 31 0.917 -5.828 7.522 1.00 0.00 C ATOM 511 CG PHE A 31 0.104 -6.933 6.946 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.121 -6.669 6.374 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.556 -8.236 6.998 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.889 -7.688 5.857 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.201 -9.264 6.481 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.430 -8.992 5.908 1.00 0.00 C ATOM 0 H PHE A 31 -0.168 -7.076 10.084 1.00 0.00 H new ATOM 0 HA PHE A 31 1.067 -4.611 9.275 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.850 -4.955 6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.965 -6.127 7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.483 -5.652 6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.513 -8.452 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.849 -7.470 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.164 -10.280 6.523 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.029 -9.794 5.502 1.00 0.00 H new ATOM 526 N GLU A 32 -1.253 -3.871 8.249 1.00 0.00 N ATOM 527 CA GLU A 32 -2.607 -3.340 8.155 1.00 0.00 C ATOM 528 C GLU A 32 -2.853 -2.746 6.773 1.00 0.00 C ATOM 529 O GLU A 32 -2.045 -1.965 6.271 1.00 0.00 O ATOM 530 CB GLU A 32 -2.839 -2.277 9.234 1.00 0.00 C ATOM 531 CG GLU A 32 -3.757 -2.737 10.353 1.00 0.00 C ATOM 532 CD GLU A 32 -4.088 -1.626 11.330 1.00 0.00 C ATOM 533 OE1 GLU A 32 -4.427 -0.514 10.871 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.009 -1.866 12.553 1.00 0.00 O ATOM 0 H GLU A 32 -0.545 -3.308 7.776 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.309 -4.159 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.878 -1.987 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.263 -1.387 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.681 -3.125 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.285 -3.559 10.890 1.00 0.00 H new ATOM 541 N PHE A 33 -3.965 -3.127 6.159 1.00 0.00 N ATOM 542 CA PHE A 33 -4.310 -2.642 4.837 1.00 0.00 C ATOM 543 C PHE A 33 -5.119 -1.354 4.914 1.00 0.00 C ATOM 544 O PHE A 33 -5.727 -1.049 5.939 1.00 0.00 O ATOM 545 CB PHE A 33 -5.108 -3.703 4.087 1.00 0.00 C ATOM 546 CG PHE A 33 -5.107 -3.496 2.607 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.981 -3.787 1.865 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.226 -3.002 1.964 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.965 -3.590 0.499 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.222 -2.801 0.597 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.087 -3.095 -0.137 1.00 0.00 C ATOM 0 H PHE A 33 -4.644 -3.774 6.561 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.383 -2.432 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.695 -4.686 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.136 -3.699 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.102 -4.174 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.113 -2.771 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.078 -3.822 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.102 -2.416 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.078 -2.938 -1.205 1.00 0.00 H new ATOM 561 N ILE A 34 -5.128 -0.608 3.814 1.00 0.00 N ATOM 562 CA ILE A 34 -5.870 0.641 3.738 1.00 0.00 C ATOM 563 C ILE A 34 -6.397 0.863 2.332 1.00 0.00 C ATOM 564 O ILE A 34 -5.632 0.941 1.369 1.00 0.00 O ATOM 565 CB ILE A 34 -5.021 1.855 4.149 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.225 1.543 5.414 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.909 3.072 4.362 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.194 2.595 5.755 1.00 0.00 C ATOM 0 H ILE A 34 -4.626 -0.850 2.960 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.698 0.551 4.441 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.318 2.077 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.915 1.438 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.725 0.582 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.295 3.924 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.437 3.304 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.633 2.861 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.667 2.307 6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.481 2.684 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.690 3.553 5.911 1.00 0.00 H new ATOM 580 N ASN A 35 -7.708 0.961 2.227 1.00 0.00 N ATOM 581 CA ASN A 35 -8.363 1.173 0.945 1.00 0.00 C ATOM 582 C ASN A 35 -8.550 2.661 0.680 1.00 0.00 C ATOM 583 O ASN A 35 -9.320 3.333 1.366 1.00 0.00 O ATOM 584 CB ASN A 35 -9.715 0.456 0.909 1.00 0.00 C ATOM 585 CG ASN A 35 -10.654 0.934 1.999 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.525 0.548 3.160 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.612 1.775 1.625 1.00 0.00 N ATOM 0 H ASN A 35 -8.347 0.897 3.019 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.727 0.758 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.181 0.615 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.557 -0.617 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.278 2.127 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.681 2.068 0.651 1.00 0.00 H new ATOM 594 N ILE A 36 -7.836 3.167 -0.317 1.00 0.00 N ATOM 595 CA ILE A 36 -7.917 4.576 -0.678 1.00 0.00 C ATOM 596 C ILE A 36 -9.052 4.824 -1.669 1.00 0.00 C ATOM 597 O ILE A 36 -8.860 5.463 -2.702 1.00 0.00 O ATOM 598 CB ILE A 36 -6.586 5.071 -1.281 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.644 6.573 -1.561 1.00 0.00 C ATOM 600 CG2 ILE A 36 -6.256 4.299 -2.550 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.296 7.254 -1.470 1.00 0.00 C ATOM 0 H ILE A 36 -7.193 2.621 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.119 5.134 0.236 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.793 4.892 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.057 6.734 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.328 7.041 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.314 4.661 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.166 3.238 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.051 4.444 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.411 8.317 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.890 7.124 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.615 6.812 -2.197 1.00 0.00 H new ATOM 613 N MET A 37 -10.233 4.309 -1.346 1.00 0.00 N ATOM 614 CA MET A 37 -11.396 4.461 -2.208 1.00 0.00 C ATOM 615 C MET A 37 -12.658 3.962 -1.501 1.00 0.00 C ATOM 616 O MET A 37 -12.917 2.759 -1.462 1.00 0.00 O ATOM 617 CB MET A 37 -11.173 3.688 -3.510 1.00 0.00 C ATOM 618 CG MET A 37 -12.367 3.696 -4.448 1.00 0.00 C ATOM 619 SD MET A 37 -12.165 2.548 -5.823 1.00 0.00 S ATOM 620 CE MET A 37 -11.835 3.669 -7.180 1.00 0.00 C ATOM 0 H MET A 37 -10.409 3.782 -0.491 1.00 0.00 H new ATOM 0 HA MET A 37 -11.532 5.518 -2.438 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.314 4.112 -4.029 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.921 2.655 -3.268 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.266 3.436 -3.890 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.514 4.703 -4.837 1.00 0.00 H new ATOM 0 HE1 MET A 37 -12.708 3.719 -7.831 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.618 4.662 -6.787 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.978 3.309 -7.749 1.00 0.00 H new ATOM 630 N PRO A 38 -13.457 4.879 -0.922 1.00 0.00 N ATOM 631 CA PRO A 38 -14.687 4.512 -0.209 1.00 0.00 C ATOM 632 C PRO A 38 -15.733 3.904 -1.136 1.00 0.00 C ATOM 633 O PRO A 38 -16.538 3.070 -0.719 1.00 0.00 O ATOM 634 CB PRO A 38 -15.188 5.844 0.359 1.00 0.00 C ATOM 635 CG PRO A 38 -14.563 6.887 -0.501 1.00 0.00 C ATOM 636 CD PRO A 38 -13.227 6.334 -0.908 1.00 0.00 C ATOM 0 HA PRO A 38 -14.502 3.754 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.276 5.904 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.895 5.964 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.182 7.097 -1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.449 7.825 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.919 6.703 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.444 6.611 -0.202 1.00 0.00 H new ATOM 644 N GLU A 39 -15.715 4.329 -2.392 1.00 0.00 N ATOM 645 CA GLU A 39 -16.658 3.830 -3.380 1.00 0.00 C ATOM 646 C GLU A 39 -15.981 3.689 -4.737 1.00 0.00 C ATOM 647 O GLU A 39 -14.959 4.320 -4.999 1.00 0.00 O ATOM 648 CB GLU A 39 -17.860 4.772 -3.492 1.00 0.00 C ATOM 649 CG GLU A 39 -19.169 4.056 -3.781 1.00 0.00 C ATOM 650 CD GLU A 39 -20.314 5.016 -4.039 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.197 5.844 -4.967 1.00 0.00 O ATOM 652 OE2 GLU A 39 -21.328 4.940 -3.313 1.00 0.00 O ATOM 0 H GLU A 39 -15.056 5.020 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.007 2.849 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.960 5.333 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.670 5.498 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.041 3.408 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.421 3.414 -2.937 1.00 0.00 H new ATOM 659 N LYS A 40 -16.558 2.861 -5.600 1.00 0.00 N ATOM 660 CA LYS A 40 -16.004 2.645 -6.933 1.00 0.00 C ATOM 661 C LYS A 40 -16.193 3.865 -7.819 1.00 0.00 C ATOM 662 O LYS A 40 -15.674 3.933 -8.934 1.00 0.00 O ATOM 663 CB LYS A 40 -16.627 1.411 -7.586 1.00 0.00 C ATOM 664 CG LYS A 40 -18.133 1.515 -7.770 1.00 0.00 C ATOM 665 CD LYS A 40 -18.624 0.593 -8.873 1.00 0.00 C ATOM 666 CE LYS A 40 -18.651 1.300 -10.218 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.790 2.253 -10.323 1.00 0.00 N ATOM 0 H LYS A 40 -17.406 2.330 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.933 2.476 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.161 1.250 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.403 0.536 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.633 1.264 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.401 2.544 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.976 -0.281 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.624 0.233 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.714 1.837 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.722 0.560 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.885 2.573 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.667 1.779 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.614 3.073 -9.708 1.00 0.00 H new ATOM 681 N GLY A 41 -16.943 4.816 -7.308 1.00 0.00 N ATOM 682 CA GLY A 41 -17.216 6.041 -8.037 1.00 0.00 C ATOM 683 C GLY A 41 -16.481 7.242 -7.471 1.00 0.00 C ATOM 684 O GLY A 41 -16.309 8.246 -8.163 1.00 0.00 O ATOM 0 H GLY A 41 -17.378 4.767 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.933 5.907 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.288 6.237 -8.020 1.00 0.00 H new ATOM 688 N VAL A 42 -16.050 7.151 -6.214 1.00 0.00 N ATOM 689 CA VAL A 42 -15.338 8.260 -5.582 1.00 0.00 C ATOM 690 C VAL A 42 -14.195 7.787 -4.690 1.00 0.00 C ATOM 691 O VAL A 42 -14.392 7.021 -3.747 1.00 0.00 O ATOM 692 CB VAL A 42 -16.284 9.128 -4.734 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.582 10.401 -4.287 1.00 0.00 C ATOM 694 CG2 VAL A 42 -17.555 9.451 -5.502 1.00 0.00 C ATOM 0 H VAL A 42 -16.179 6.332 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.927 8.848 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.564 8.562 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.266 11.003 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.707 10.144 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.269 10.970 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.208 10.065 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.302 9.994 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.068 8.525 -5.763 1.00 0.00 H new ATOM 704 N PHE A 43 -13.001 8.271 -5.000 1.00 0.00 N ATOM 705 CA PHE A 43 -11.798 7.942 -4.245 1.00 0.00 C ATOM 706 C PHE A 43 -11.781 8.651 -2.891 1.00 0.00 C ATOM 707 O PHE A 43 -12.485 9.639 -2.687 1.00 0.00 O ATOM 708 CB PHE A 43 -10.563 8.358 -5.042 1.00 0.00 C ATOM 709 CG PHE A 43 -10.149 7.352 -6.069 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.294 6.322 -5.730 1.00 0.00 C ATOM 711 CD2 PHE A 43 -10.617 7.433 -7.371 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.909 5.387 -6.668 1.00 0.00 C ATOM 713 CE2 PHE A 43 -10.235 6.502 -8.317 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.380 5.476 -7.965 1.00 0.00 C ATOM 0 H PHE A 43 -12.838 8.904 -5.783 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.792 6.866 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.762 9.309 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.735 8.524 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.922 6.248 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.288 8.233 -7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.240 4.586 -6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.604 6.576 -9.329 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.080 4.745 -8.701 1.00 0.00 H new ATOM 724 N ASP A 44 -10.948 8.152 -1.981 1.00 0.00 N ATOM 725 CA ASP A 44 -10.815 8.742 -0.651 1.00 0.00 C ATOM 726 C ASP A 44 -9.840 9.918 -0.675 1.00 0.00 C ATOM 727 O ASP A 44 -8.647 9.749 -0.425 1.00 0.00 O ATOM 728 CB ASP A 44 -10.332 7.690 0.350 1.00 0.00 C ATOM 729 CG ASP A 44 -11.017 7.813 1.697 1.00 0.00 C ATOM 730 OD1 ASP A 44 -10.793 8.832 2.385 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.780 6.894 2.061 1.00 0.00 O ATOM 0 H ASP A 44 -10.354 7.339 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.795 9.107 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.514 6.695 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.255 7.788 0.484 1.00 0.00 H new ATOM 736 N ASP A 45 -10.353 11.107 -0.976 1.00 0.00 N ATOM 737 CA ASP A 45 -9.521 12.306 -1.034 1.00 0.00 C ATOM 738 C ASP A 45 -8.849 12.581 0.311 1.00 0.00 C ATOM 739 O ASP A 45 -7.802 13.226 0.369 1.00 0.00 O ATOM 740 CB ASP A 45 -10.362 13.515 -1.448 1.00 0.00 C ATOM 741 CG ASP A 45 -11.008 13.332 -2.807 1.00 0.00 C ATOM 742 OD1 ASP A 45 -11.502 12.219 -3.085 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.020 14.302 -3.594 1.00 0.00 O ATOM 0 H ASP A 45 -11.339 11.267 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.742 12.135 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.137 13.688 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.731 14.404 -1.465 1.00 0.00 H new ATOM 748 N GLU A 46 -9.454 12.091 1.390 1.00 0.00 N ATOM 749 CA GLU A 46 -8.905 12.290 2.727 1.00 0.00 C ATOM 750 C GLU A 46 -7.520 11.663 2.840 1.00 0.00 C ATOM 751 O GLU A 46 -6.546 12.335 3.185 1.00 0.00 O ATOM 752 CB GLU A 46 -9.838 11.690 3.780 1.00 0.00 C ATOM 753 CG GLU A 46 -9.352 11.888 5.207 1.00 0.00 C ATOM 754 CD GLU A 46 -9.884 13.162 5.833 1.00 0.00 C ATOM 755 OE1 GLU A 46 -9.565 14.254 5.321 1.00 0.00 O ATOM 756 OE2 GLU A 46 -10.622 13.066 6.837 1.00 0.00 O ATOM 0 H GLU A 46 -10.322 11.555 1.364 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.816 13.362 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.826 12.139 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.951 10.623 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.658 11.035 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.262 11.911 5.216 1.00 0.00 H new ATOM 763 N LYS A 47 -7.439 10.372 2.540 1.00 0.00 N ATOM 764 CA LYS A 47 -6.172 9.658 2.599 1.00 0.00 C ATOM 765 C LYS A 47 -5.262 10.112 1.466 1.00 0.00 C ATOM 766 O LYS A 47 -4.072 10.352 1.667 1.00 0.00 O ATOM 767 CB LYS A 47 -6.401 8.146 2.517 1.00 0.00 C ATOM 768 CG LYS A 47 -7.540 7.651 3.398 1.00 0.00 C ATOM 769 CD LYS A 47 -7.021 7.033 4.687 1.00 0.00 C ATOM 770 CE LYS A 47 -8.093 7.012 5.765 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.560 7.444 7.087 1.00 0.00 N ATOM 0 H LYS A 47 -8.234 9.801 2.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.692 9.884 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.610 7.875 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.483 7.632 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.206 8.481 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.130 6.915 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.679 6.017 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.158 7.597 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.914 7.667 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.503 6.005 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.322 7.416 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.793 6.804 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.192 8.414 7.013 1.00 0.00 H new ATOM 785 N ILE A 48 -5.833 10.244 0.276 1.00 0.00 N ATOM 786 CA ILE A 48 -5.077 10.683 -0.890 1.00 0.00 C ATOM 787 C ILE A 48 -4.292 11.957 -0.576 1.00 0.00 C ATOM 788 O ILE A 48 -3.159 12.128 -1.028 1.00 0.00 O ATOM 789 CB ILE A 48 -6.012 10.946 -2.095 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.685 9.651 -2.560 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.249 11.583 -3.248 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.933 9.888 -3.380 1.00 0.00 C ATOM 0 H ILE A 48 -6.818 10.053 0.092 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.383 9.883 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.786 11.640 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.975 9.072 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.940 9.049 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.929 11.757 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.823 12.532 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.448 10.916 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.360 8.930 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.660 10.441 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.680 10.464 -4.270 1.00 0.00 H new ATOM 804 N ALA A 49 -4.904 12.847 0.200 1.00 0.00 N ATOM 805 CA ALA A 49 -4.268 14.105 0.572 1.00 0.00 C ATOM 806 C ALA A 49 -3.060 13.866 1.467 1.00 0.00 C ATOM 807 O ALA A 49 -1.937 14.244 1.127 1.00 0.00 O ATOM 808 CB ALA A 49 -5.269 15.017 1.268 1.00 0.00 C ATOM 0 H ALA A 49 -5.841 12.719 0.583 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.921 14.591 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.781 15.953 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.101 15.224 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.643 14.528 2.167 1.00 0.00 H new ATOM 814 N GLU A 50 -3.291 13.232 2.613 1.00 0.00 N ATOM 815 CA GLU A 50 -2.207 12.947 3.545 1.00 0.00 C ATOM 816 C GLU A 50 -1.158 12.066 2.877 1.00 0.00 C ATOM 817 O GLU A 50 0.030 12.150 3.191 1.00 0.00 O ATOM 818 CB GLU A 50 -2.744 12.276 4.817 1.00 0.00 C ATOM 819 CG GLU A 50 -3.132 10.817 4.635 1.00 0.00 C ATOM 820 CD GLU A 50 -3.983 10.295 5.777 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.951 10.985 6.160 1.00 0.00 O ATOM 822 OE2 GLU A 50 -3.678 9.197 6.290 1.00 0.00 O ATOM 0 H GLU A 50 -4.210 12.909 2.916 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.741 13.890 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.987 12.344 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.614 12.831 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.678 10.704 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.229 10.212 4.553 1.00 0.00 H new ATOM 829 N LEU A 51 -1.603 11.236 1.938 1.00 0.00 N ATOM 830 CA LEU A 51 -0.708 10.347 1.215 1.00 0.00 C ATOM 831 C LEU A 51 0.373 11.154 0.505 1.00 0.00 C ATOM 832 O LEU A 51 1.562 10.864 0.631 1.00 0.00 O ATOM 833 CB LEU A 51 -1.499 9.528 0.195 1.00 0.00 C ATOM 834 CG LEU A 51 -0.833 8.230 -0.254 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.663 7.545 -1.323 1.00 0.00 C ATOM 836 CD2 LEU A 51 0.571 8.481 -0.758 1.00 0.00 C ATOM 0 H LEU A 51 -2.582 11.163 1.661 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.234 9.670 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.473 9.289 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.679 10.148 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.769 7.572 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.171 6.622 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.651 7.315 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.764 8.206 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.019 7.538 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.536 9.165 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.170 8.921 0.039 1.00 0.00 H new ATOM 848 N LEU A 52 -0.050 12.176 -0.235 1.00 0.00 N ATOM 849 CA LEU A 52 0.875 13.031 -0.958 1.00 0.00 C ATOM 850 C LEU A 52 1.926 13.613 -0.025 1.00 0.00 C ATOM 851 O LEU A 52 3.123 13.562 -0.305 1.00 0.00 O ATOM 852 CB LEU A 52 0.103 14.128 -1.635 1.00 0.00 C ATOM 853 CG LEU A 52 -0.759 13.621 -2.773 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.561 14.751 -3.323 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.098 12.987 -3.857 1.00 0.00 C ATOM 0 H LEU A 52 -1.032 12.429 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 52 1.397 12.436 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.529 14.628 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.800 14.874 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.435 12.853 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.183 14.391 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.197 15.162 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.891 15.528 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.542 12.630 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.797 13.727 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.654 12.149 -3.437 1.00 0.00 H new ATOM 867 N THR A 53 1.463 14.154 1.097 1.00 0.00 N ATOM 868 CA THR A 53 2.356 14.737 2.089 1.00 0.00 C ATOM 869 C THR A 53 3.229 13.656 2.718 1.00 0.00 C ATOM 870 O THR A 53 4.394 13.890 3.037 1.00 0.00 O ATOM 871 CB THR A 53 1.548 15.454 3.172 1.00 0.00 C ATOM 872 OG1 THR A 53 0.643 16.377 2.593 1.00 0.00 O ATOM 873 CG2 THR A 53 2.408 16.213 4.158 1.00 0.00 C ATOM 0 H THR A 53 0.474 14.200 1.341 1.00 0.00 H new ATOM 0 HA THR A 53 3.000 15.462 1.592 1.00 0.00 H new ATOM 0 HB THR A 53 1.020 14.665 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.134 16.824 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.771 16.698 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.085 15.521 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.988 16.968 3.628 1.00 0.00 H new ATOM 881 N LYS A 54 2.654 12.468 2.889 1.00 0.00 N ATOM 882 CA LYS A 54 3.374 11.344 3.475 1.00 0.00 C ATOM 883 C LYS A 54 4.521 10.904 2.571 1.00 0.00 C ATOM 884 O LYS A 54 5.592 10.528 3.047 1.00 0.00 O ATOM 885 CB LYS A 54 2.421 10.172 3.723 1.00 0.00 C ATOM 886 CG LYS A 54 1.786 10.189 5.104 1.00 0.00 C ATOM 887 CD LYS A 54 2.568 9.331 6.086 1.00 0.00 C ATOM 888 CE LYS A 54 2.294 7.851 5.872 1.00 0.00 C ATOM 889 NZ LYS A 54 3.151 6.996 6.740 1.00 0.00 N ATOM 0 H LYS A 54 1.690 12.260 2.629 1.00 0.00 H new ATOM 0 HA LYS A 54 3.791 11.668 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.634 10.189 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.966 9.237 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.739 11.214 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.760 9.826 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.634 9.525 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.301 9.608 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.245 7.642 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.469 7.597 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.660 6.305 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.837 7.592 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.555 6.493 7.429 1.00 0.00 H new ATOM 903 N LEU A 55 4.291 10.956 1.262 1.00 0.00 N ATOM 904 CA LEU A 55 5.305 10.565 0.289 1.00 0.00 C ATOM 905 C LEU A 55 6.553 11.432 0.424 1.00 0.00 C ATOM 906 O LEU A 55 7.615 10.949 0.818 1.00 0.00 O ATOM 907 CB LEU A 55 4.746 10.671 -1.131 1.00 0.00 C ATOM 908 CG LEU A 55 3.637 9.671 -1.483 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.802 9.187 -2.910 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.633 8.486 -0.527 1.00 0.00 C ATOM 0 H LEU A 55 3.410 11.265 0.851 1.00 0.00 H new ATOM 0 HA LEU A 55 5.582 9.530 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.360 11.680 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.567 10.539 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 55 2.681 10.185 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.009 8.478 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.746 10.036 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.770 8.698 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.835 7.797 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.592 7.971 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.469 8.840 0.491 1.00 0.00 H new ATOM 922 N GLY A 56 6.417 12.713 0.096 1.00 0.00 N ATOM 923 CA GLY A 56 7.544 13.625 0.187 1.00 0.00 C ATOM 924 C GLY A 56 7.347 14.882 -0.638 1.00 0.00 C ATOM 925 O GLY A 56 7.909 15.931 -0.324 1.00 0.00 O ATOM 0 H GLY A 56 5.548 13.136 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.700 13.901 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.447 13.114 -0.146 1.00 0.00 H new ATOM 929 N ARG A 57 6.554 14.775 -1.700 1.00 0.00 N ATOM 930 CA ARG A 57 6.289 15.913 -2.577 1.00 0.00 C ATOM 931 C ARG A 57 4.788 16.098 -2.791 1.00 0.00 C ATOM 932 O ARG A 57 3.974 15.528 -2.065 1.00 0.00 O ATOM 933 CB ARG A 57 6.991 15.714 -3.923 1.00 0.00 C ATOM 934 CG ARG A 57 7.988 16.811 -4.260 1.00 0.00 C ATOM 935 CD ARG A 57 8.795 16.467 -5.502 1.00 0.00 C ATOM 936 NE ARG A 57 9.094 17.649 -6.307 1.00 0.00 N ATOM 937 CZ ARG A 57 10.075 18.505 -6.032 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.854 18.316 -4.974 1.00 0.00 N ATOM 939 NH2 ARG A 57 10.279 19.553 -6.818 1.00 0.00 N ATOM 0 H ARG A 57 6.083 13.913 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 57 6.680 16.811 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.509 14.755 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.239 15.664 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.458 17.750 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.662 16.963 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.727 15.985 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.242 15.748 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 57 8.517 17.829 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.702 17.511 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.604 18.976 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.684 19.703 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.031 20.210 -6.608 1.00 0.00 H new ATOM 953 N ASP A 58 4.432 16.898 -3.791 1.00 0.00 N ATOM 954 CA ASP A 58 3.031 17.157 -4.102 1.00 0.00 C ATOM 955 C ASP A 58 2.513 16.162 -5.135 1.00 0.00 C ATOM 956 O ASP A 58 1.336 15.803 -5.133 1.00 0.00 O ATOM 957 CB ASP A 58 2.857 18.585 -4.622 1.00 0.00 C ATOM 958 CG ASP A 58 1.418 19.058 -4.547 1.00 0.00 C ATOM 959 OD1 ASP A 58 0.770 18.827 -3.505 1.00 0.00 O ATOM 960 OD2 ASP A 58 0.939 19.661 -5.531 1.00 0.00 O ATOM 0 H ASP A 58 5.095 17.378 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 58 2.453 17.039 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.488 19.259 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.200 18.636 -5.655 1.00 0.00 H new ATOM 965 N THR A 59 3.405 15.720 -6.016 1.00 0.00 N ATOM 966 CA THR A 59 3.042 14.763 -7.054 1.00 0.00 C ATOM 967 C THR A 59 3.691 13.409 -6.791 1.00 0.00 C ATOM 968 O THR A 59 4.551 13.280 -5.920 1.00 0.00 O ATOM 969 CB THR A 59 3.464 15.284 -8.430 1.00 0.00 C ATOM 970 OG1 THR A 59 3.077 14.380 -9.448 1.00 0.00 O ATOM 971 CG2 THR A 59 4.956 15.505 -8.555 1.00 0.00 C ATOM 0 H THR A 59 4.383 16.009 -6.031 1.00 0.00 H new ATOM 0 HA THR A 59 1.959 14.639 -7.038 1.00 0.00 H new ATOM 0 HB THR A 59 2.961 16.244 -8.542 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.354 14.731 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.187 15.874 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.279 16.237 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.479 14.563 -8.387 1.00 0.00 H new ATOM 979 N GLN A 60 3.276 12.401 -7.552 1.00 0.00 N ATOM 980 CA GLN A 60 3.818 11.054 -7.405 1.00 0.00 C ATOM 981 C GLN A 60 4.591 10.642 -8.651 1.00 0.00 C ATOM 982 O GLN A 60 4.004 10.250 -9.659 1.00 0.00 O ATOM 983 CB GLN A 60 2.696 10.052 -7.137 1.00 0.00 C ATOM 984 CG GLN A 60 1.662 9.980 -8.249 1.00 0.00 C ATOM 985 CD GLN A 60 0.339 9.408 -7.779 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.679 10.256 -7.704 1.00 0.00 O flip ATOM 987 NE2 GLN A 60 0.234 8.216 -7.487 1.00 0.00 N flip ATOM 0 H GLN A 60 2.565 12.492 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 60 4.501 11.058 -6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.131 9.063 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.197 10.319 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.499 10.979 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.050 9.367 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.044 7.600 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.663 7.845 -7.173 1.00 0.00 H new ATOM 996 N ILE A 61 5.911 10.738 -8.571 1.00 0.00 N ATOM 997 CA ILE A 61 6.781 10.384 -9.687 1.00 0.00 C ATOM 998 C ILE A 61 6.585 8.928 -10.114 1.00 0.00 C ATOM 999 O ILE A 61 7.340 8.039 -9.728 1.00 0.00 O ATOM 1000 CB ILE A 61 8.274 10.650 -9.359 1.00 0.00 C ATOM 1001 CG1 ILE A 61 8.837 9.653 -8.329 1.00 0.00 C ATOM 1002 CG2 ILE A 61 8.451 12.074 -8.857 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.870 9.270 -7.228 1.00 0.00 C ATOM 0 H ILE A 61 6.407 11.060 -7.740 1.00 0.00 H new ATOM 0 HA ILE A 61 6.497 11.026 -10.520 1.00 0.00 H new ATOM 0 HB ILE A 61 8.837 10.512 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.149 8.749 -8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.730 10.084 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.502 12.252 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.123 12.774 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.855 12.219 -7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.351 8.565 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.576 10.162 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.986 8.806 -7.665 1.00 0.00 H new ATOM 1015 N GLY A 62 5.559 8.698 -10.924 1.00 0.00 N ATOM 1016 CA GLY A 62 5.273 7.358 -11.402 1.00 0.00 C ATOM 1017 C GLY A 62 4.934 6.390 -10.284 1.00 0.00 C ATOM 1018 O GLY A 62 5.044 5.176 -10.456 1.00 0.00 O ATOM 0 H GLY A 62 4.918 9.417 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.441 7.399 -12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.136 6.982 -11.951 1.00 0.00 H new ATOM 1022 N LEU A 63 4.522 6.923 -9.138 1.00 0.00 N ATOM 1023 CA LEU A 63 4.167 6.086 -7.998 1.00 0.00 C ATOM 1024 C LEU A 63 2.760 5.519 -8.162 1.00 0.00 C ATOM 1025 O LEU A 63 1.832 6.232 -8.543 1.00 0.00 O ATOM 1026 CB LEU A 63 4.268 6.887 -6.696 1.00 0.00 C ATOM 1027 CG LEU A 63 5.106 6.229 -5.598 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.653 4.795 -5.370 1.00 0.00 C ATOM 1029 CD2 LEU A 63 6.583 6.269 -5.958 1.00 0.00 C ATOM 0 H LEU A 63 4.426 7.925 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 63 4.870 5.254 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.693 7.865 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.262 7.057 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 63 4.962 6.788 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.260 4.342 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.606 4.788 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.769 4.226 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.164 5.797 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.744 5.734 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.902 7.305 -6.073 1.00 0.00 H new ATOM 1041 N THR A 64 2.612 4.229 -7.880 1.00 0.00 N ATOM 1042 CA THR A 64 1.322 3.567 -8.009 1.00 0.00 C ATOM 1043 C THR A 64 1.045 2.648 -6.823 1.00 0.00 C ATOM 1044 O THR A 64 1.921 2.401 -5.993 1.00 0.00 O ATOM 1045 CB THR A 64 1.268 2.763 -9.309 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.436 1.975 -9.460 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.136 3.630 -10.543 1.00 0.00 C ATOM 0 H THR A 64 3.368 3.623 -7.561 1.00 0.00 H new ATOM 0 HA THR A 64 0.554 4.340 -8.027 1.00 0.00 H new ATOM 0 HB THR A 64 0.378 2.138 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.382 1.467 -10.296 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.103 2.998 -11.430 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.218 4.215 -10.480 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.991 4.303 -10.608 1.00 0.00 H new ATOM 1055 N MET A 65 -0.183 2.144 -6.754 1.00 0.00 N ATOM 1056 CA MET A 65 -0.584 1.245 -5.681 1.00 0.00 C ATOM 1057 C MET A 65 -0.316 -0.205 -6.069 1.00 0.00 C ATOM 1058 O MET A 65 -0.251 -0.535 -7.253 1.00 0.00 O ATOM 1059 CB MET A 65 -2.065 1.438 -5.353 1.00 0.00 C ATOM 1060 CG MET A 65 -2.353 2.710 -4.573 1.00 0.00 C ATOM 1061 SD MET A 65 -2.812 4.091 -5.640 1.00 0.00 S ATOM 1062 CE MET A 65 -2.250 5.479 -4.659 1.00 0.00 C ATOM 0 H MET A 65 -0.919 2.345 -7.431 1.00 0.00 H new ATOM 0 HA MET A 65 0.006 1.481 -4.795 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.635 1.454 -6.282 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.416 0.581 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.158 2.522 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.472 2.982 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.077 6.172 -4.502 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.889 5.121 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.442 5.991 -5.182 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.147 -1.095 -5.076 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.214 -0.751 -3.652 1.00 0.00 C ATOM 1074 C PRO A 66 1.034 -0.026 -3.159 1.00 0.00 C ATOM 1075 O PRO A 66 2.154 -0.340 -3.567 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.345 -2.114 -2.952 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.534 -3.113 -4.047 1.00 0.00 C ATOM 1078 CD PRO A 66 0.114 -2.522 -5.260 1.00 0.00 C ATOM 0 HA PRO A 66 -1.038 -0.068 -3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.545 -2.340 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.191 -2.122 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.078 -4.068 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.593 -3.303 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.181 -2.740 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.324 -2.902 -6.183 1.00 0.00 H new ATOM 1086 N GLN A 67 0.831 0.932 -2.260 1.00 0.00 N ATOM 1087 CA GLN A 67 1.929 1.695 -1.685 1.00 0.00 C ATOM 1088 C GLN A 67 2.080 1.353 -0.209 1.00 0.00 C ATOM 1089 O GLN A 67 1.192 1.633 0.594 1.00 0.00 O ATOM 1090 CB GLN A 67 1.679 3.195 -1.856 1.00 0.00 C ATOM 1091 CG GLN A 67 2.398 3.800 -3.049 1.00 0.00 C ATOM 1092 CD GLN A 67 1.606 4.916 -3.702 1.00 0.00 C ATOM 1093 OE1 GLN A 67 0.555 4.680 -4.298 1.00 0.00 O ATOM 1094 NE2 GLN A 67 2.109 6.140 -3.594 1.00 0.00 N ATOM 0 H GLN A 67 -0.091 1.198 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 67 2.850 1.435 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.608 3.366 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.996 3.713 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.366 4.186 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.594 3.020 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.983 6.289 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.621 6.931 -4.014 1.00 0.00 H new ATOM 1103 N VAL A 68 3.193 0.727 0.141 1.00 0.00 N ATOM 1104 CA VAL A 68 3.429 0.340 1.522 1.00 0.00 C ATOM 1105 C VAL A 68 4.099 1.457 2.310 1.00 0.00 C ATOM 1106 O VAL A 68 4.688 2.374 1.738 1.00 0.00 O ATOM 1107 CB VAL A 68 4.286 -0.940 1.625 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.095 -1.594 2.984 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.947 -1.915 0.504 1.00 0.00 C ATOM 0 H VAL A 68 3.941 0.478 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 68 2.448 0.139 1.953 1.00 0.00 H new ATOM 0 HB VAL A 68 5.334 -0.660 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.705 -2.495 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.397 -0.899 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.046 -1.857 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.565 -2.808 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.895 -2.193 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.139 -1.443 -0.459 1.00 0.00 H new ATOM 1119 N PHE A 69 4.005 1.367 3.630 1.00 0.00 N ATOM 1120 CA PHE A 69 4.595 2.365 4.514 1.00 0.00 C ATOM 1121 C PHE A 69 5.157 1.699 5.765 1.00 0.00 C ATOM 1122 O PHE A 69 4.549 0.782 6.318 1.00 0.00 O ATOM 1123 CB PHE A 69 3.544 3.408 4.903 1.00 0.00 C ATOM 1124 CG PHE A 69 3.257 4.402 3.816 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.058 5.519 3.657 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.191 4.216 2.950 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.800 6.436 2.655 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.929 5.129 1.944 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.735 6.240 1.796 1.00 0.00 C ATOM 0 H PHE A 69 3.524 0.610 4.115 1.00 0.00 H new ATOM 0 HA PHE A 69 5.409 2.861 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.619 2.898 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.883 3.941 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.894 5.676 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.558 3.348 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.431 7.306 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.095 4.973 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.534 6.954 1.011 1.00 0.00 H new ATOM 1139 N ALA A 70 6.328 2.153 6.200 1.00 0.00 N ATOM 1140 CA ALA A 70 6.978 1.588 7.381 1.00 0.00 C ATOM 1141 C ALA A 70 6.039 1.594 8.588 1.00 0.00 C ATOM 1142 O ALA A 70 5.415 2.611 8.890 1.00 0.00 O ATOM 1143 CB ALA A 70 8.251 2.354 7.701 1.00 0.00 C ATOM 0 H ALA A 70 6.847 2.910 5.754 1.00 0.00 H new ATOM 0 HA ALA A 70 7.234 0.552 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.724 1.922 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.935 2.292 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.008 3.399 7.895 1.00 0.00 H new ATOM 1149 N PRO A 71 5.943 0.459 9.310 1.00 0.00 N ATOM 1150 CA PRO A 71 5.085 0.350 10.494 1.00 0.00 C ATOM 1151 C PRO A 71 5.395 1.432 11.523 1.00 0.00 C ATOM 1152 O PRO A 71 4.565 1.749 12.375 1.00 0.00 O ATOM 1153 CB PRO A 71 5.404 -1.034 11.058 1.00 0.00 C ATOM 1154 CG PRO A 71 6.024 -1.796 9.935 1.00 0.00 C ATOM 1155 CD PRO A 71 6.678 -0.789 9.035 1.00 0.00 C ATOM 0 HA PRO A 71 4.032 0.479 10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.085 -0.963 11.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.501 -1.529 11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.756 -2.511 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.270 -2.367 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.740 -0.685 9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.598 -1.078 7.987 1.00 0.00 H new ATOM 1163 N ASP A 72 6.593 1.999 11.430 1.00 0.00 N ATOM 1164 CA ASP A 72 7.017 3.050 12.342 1.00 0.00 C ATOM 1165 C ASP A 72 8.181 3.833 11.742 1.00 0.00 C ATOM 1166 O ASP A 72 9.125 4.198 12.443 1.00 0.00 O ATOM 1167 CB ASP A 72 7.418 2.453 13.691 1.00 0.00 C ATOM 1168 CG ASP A 72 6.562 2.971 14.830 1.00 0.00 C ATOM 1169 OD1 ASP A 72 6.576 4.197 15.073 1.00 0.00 O ATOM 1170 OD2 ASP A 72 5.878 2.152 15.480 1.00 0.00 O ATOM 0 H ASP A 72 7.289 1.746 10.728 1.00 0.00 H new ATOM 0 HA ASP A 72 6.182 3.733 12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.336 1.367 13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.464 2.685 13.891 1.00 0.00 H new ATOM 1175 N GLY A 73 8.110 4.079 10.436 1.00 0.00 N ATOM 1176 CA GLY A 73 9.169 4.814 9.764 1.00 0.00 C ATOM 1177 C GLY A 73 8.659 5.677 8.627 1.00 0.00 C ATOM 1178 O GLY A 73 7.973 6.673 8.853 1.00 0.00 O ATOM 0 H GLY A 73 7.342 3.784 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.683 5.444 10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.904 4.109 9.376 1.00 0.00 H new ATOM 1182 N SER A 74 9.007 5.298 7.400 1.00 0.00 N ATOM 1183 CA SER A 74 8.589 6.048 6.217 1.00 0.00 C ATOM 1184 C SER A 74 8.142 5.114 5.100 1.00 0.00 C ATOM 1185 O SER A 74 8.154 3.892 5.248 1.00 0.00 O ATOM 1186 CB SER A 74 9.732 6.936 5.723 1.00 0.00 C ATOM 1187 OG SER A 74 9.249 7.969 4.881 1.00 0.00 O ATOM 0 H SER A 74 9.577 4.477 7.198 1.00 0.00 H new ATOM 0 HA SER A 74 7.742 6.673 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.253 7.371 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.459 6.331 5.181 1.00 0.00 H new ATOM 0 HG SER A 74 9.999 8.523 4.580 1.00 0.00 H new ATOM 1193 N HIS A 75 7.741 5.708 3.983 1.00 0.00 N ATOM 1194 CA HIS A 75 7.281 4.953 2.825 1.00 0.00 C ATOM 1195 C HIS A 75 8.342 3.959 2.363 1.00 0.00 C ATOM 1196 O HIS A 75 9.490 4.331 2.123 1.00 0.00 O ATOM 1197 CB HIS A 75 6.938 5.919 1.694 1.00 0.00 C ATOM 1198 CG HIS A 75 6.402 5.252 0.465 1.00 0.00 C ATOM 1199 ND1 HIS A 75 5.229 4.600 0.265 1.00 0.00 N flip ATOM 1200 CD2 HIS A 75 7.069 5.208 -0.740 1.00 0.00 C flip ATOM 1201 CE1 HIS A 75 5.168 4.156 -1.053 1.00 0.00 C flip ATOM 1202 NE2 HIS A 75 6.296 4.548 -1.614 1.00 0.00 N flip ATOM 0 H HIS A 75 7.725 6.720 3.855 1.00 0.00 H new ATOM 0 HA HIS A 75 6.392 4.388 3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.203 6.638 2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.832 6.483 1.428 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.505 4.458 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.042 5.630 -0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.364 3.605 -1.519 1.00 0.00 H new ATOM 1210 N ILE A 76 7.951 2.693 2.236 1.00 0.00 N ATOM 1211 CA ILE A 76 8.875 1.651 1.800 1.00 0.00 C ATOM 1212 C ILE A 76 8.773 1.433 0.295 1.00 0.00 C ATOM 1213 O ILE A 76 9.785 1.278 -0.391 1.00 0.00 O ATOM 1214 CB ILE A 76 8.610 0.313 2.521 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.690 0.499 4.036 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.599 -0.750 2.062 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.744 -0.400 4.799 1.00 0.00 C ATOM 0 H ILE A 76 7.004 2.366 2.428 1.00 0.00 H new ATOM 0 HA ILE A 76 9.878 1.992 2.055 1.00 0.00 H new ATOM 0 HB ILE A 76 7.605 -0.022 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.711 0.304 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.469 1.538 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.395 -1.686 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.497 -0.902 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.614 -0.424 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.851 -0.217 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.718 -0.189 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.979 -1.442 4.583 1.00 0.00 H new ATOM 1229 N GLY A 77 7.547 1.414 -0.211 1.00 0.00 N ATOM 1230 CA GLY A 77 7.339 1.211 -1.631 1.00 0.00 C ATOM 1231 C GLY A 77 6.247 0.205 -1.926 1.00 0.00 C ATOM 1232 O GLY A 77 5.346 -0.001 -1.115 1.00 0.00 O ATOM 0 H GLY A 77 6.694 1.535 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.085 2.163 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.270 0.873 -2.085 1.00 0.00 H new ATOM 1236 N GLY A 78 6.330 -0.416 -3.094 1.00 0.00 N ATOM 1237 CA GLY A 78 5.337 -1.399 -3.487 1.00 0.00 C ATOM 1238 C GLY A 78 5.751 -2.813 -3.128 1.00 0.00 C ATOM 1239 O GLY A 78 6.452 -3.026 -2.141 1.00 0.00 O ATOM 0 H GLY A 78 7.069 -0.257 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.388 -1.167 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.171 -1.334 -4.562 1.00 0.00 H new ATOM 1243 N PHE A 79 5.317 -3.781 -3.929 1.00 0.00 N ATOM 1244 CA PHE A 79 5.651 -5.180 -3.686 1.00 0.00 C ATOM 1245 C PHE A 79 7.141 -5.425 -3.900 1.00 0.00 C ATOM 1246 O PHE A 79 7.847 -5.853 -2.987 1.00 0.00 O ATOM 1247 CB PHE A 79 4.830 -6.088 -4.605 1.00 0.00 C ATOM 1248 CG PHE A 79 5.111 -7.553 -4.424 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.838 -8.187 -3.220 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.646 -8.300 -5.464 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.092 -9.536 -3.059 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.903 -9.649 -5.306 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.626 -10.268 -4.103 1.00 0.00 C ATOM 0 H PHE A 79 4.734 -3.623 -4.751 1.00 0.00 H new ATOM 0 HA PHE A 79 5.409 -5.415 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.770 -5.907 -4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.029 -5.815 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.423 -7.620 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.864 -7.822 -6.408 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.873 -10.018 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.320 -10.219 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.826 -11.322 -3.978 1.00 0.00 H new ATOM 1263 N ASP A 80 7.618 -5.143 -5.110 1.00 0.00 N ATOM 1264 CA ASP A 80 9.027 -5.330 -5.440 1.00 0.00 C ATOM 1265 C ASP A 80 9.910 -4.439 -4.572 1.00 0.00 C ATOM 1266 O ASP A 80 10.827 -4.915 -3.898 1.00 0.00 O ATOM 1267 CB ASP A 80 9.271 -5.020 -6.919 1.00 0.00 C ATOM 1268 CG ASP A 80 10.531 -5.679 -7.447 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.635 -5.202 -7.112 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.412 -6.672 -8.194 1.00 0.00 O ATOM 0 H ASP A 80 7.049 -4.784 -5.877 1.00 0.00 H new ATOM 0 HA ASP A 80 9.286 -6.371 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.415 -5.357 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.345 -3.941 -7.054 1.00 0.00 H new ATOM 1275 N GLN A 81 9.625 -3.139 -4.590 1.00 0.00 N ATOM 1276 CA GLN A 81 10.393 -2.181 -3.802 1.00 0.00 C ATOM 1277 C GLN A 81 10.471 -2.624 -2.348 1.00 0.00 C ATOM 1278 O GLN A 81 11.521 -2.523 -1.712 1.00 0.00 O ATOM 1279 CB GLN A 81 9.767 -0.788 -3.894 1.00 0.00 C ATOM 1280 CG GLN A 81 9.387 -0.384 -5.310 1.00 0.00 C ATOM 1281 CD GLN A 81 9.245 1.117 -5.472 1.00 0.00 C ATOM 1282 OE1 GLN A 81 8.177 1.681 -5.233 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.325 1.773 -5.882 1.00 0.00 N ATOM 0 H GLN A 81 8.871 -2.727 -5.140 1.00 0.00 H new ATOM 0 HA GLN A 81 11.404 -2.138 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.877 -0.756 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.468 -0.056 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.144 -0.750 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.447 -0.865 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.190 1.265 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.289 2.784 -6.010 1.00 0.00 H new ATOM 1292 N LEU A 82 9.355 -3.127 -1.827 1.00 0.00 N ATOM 1293 CA LEU A 82 9.307 -3.593 -0.450 1.00 0.00 C ATOM 1294 C LEU A 82 9.912 -4.981 -0.317 1.00 0.00 C ATOM 1295 O LEU A 82 10.442 -5.330 0.735 1.00 0.00 O ATOM 1296 CB LEU A 82 7.885 -3.603 0.081 1.00 0.00 C ATOM 1297 CG LEU A 82 7.780 -4.105 1.514 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.794 -3.276 2.309 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.398 -5.569 1.519 1.00 0.00 C ATOM 0 H LEU A 82 8.477 -3.221 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 82 9.896 -2.894 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.477 -2.594 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.269 -4.231 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 82 8.752 -4.000 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.738 -3.656 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.123 -2.237 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.810 -3.337 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.324 -5.922 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.436 -5.696 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.158 -6.145 0.991 1.00 0.00 H new ATOM 1311 N ARG A 83 9.850 -5.775 -1.383 1.00 0.00 N ATOM 1312 CA ARG A 83 10.421 -7.116 -1.342 1.00 0.00 C ATOM 1313 C ARG A 83 11.861 -7.032 -0.861 1.00 0.00 C ATOM 1314 O ARG A 83 12.334 -7.896 -0.128 1.00 0.00 O ATOM 1315 CB ARG A 83 10.350 -7.784 -2.716 1.00 0.00 C ATOM 1316 CG ARG A 83 9.013 -8.445 -3.003 1.00 0.00 C ATOM 1317 CD ARG A 83 9.071 -9.947 -2.769 1.00 0.00 C ATOM 1318 NE ARG A 83 9.651 -10.654 -3.908 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.507 -11.960 -4.121 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.806 -12.705 -3.274 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.067 -12.524 -5.182 1.00 0.00 N ATOM 0 H ARG A 83 9.418 -5.518 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 83 9.843 -7.727 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.549 -7.037 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.139 -8.533 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.245 -8.006 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.723 -8.248 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.661 -10.153 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.066 -10.324 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 83 10.198 -10.115 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.374 -12.277 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.699 -13.705 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.608 -11.957 -5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.957 -13.525 -5.345 1.00 0.00 H new ATOM 1335 N GLU A 84 12.544 -5.956 -1.247 1.00 0.00 N ATOM 1336 CA GLU A 84 13.918 -5.739 -0.811 1.00 0.00 C ATOM 1337 C GLU A 84 13.945 -5.656 0.712 1.00 0.00 C ATOM 1338 O GLU A 84 14.903 -6.079 1.360 1.00 0.00 O ATOM 1339 CB GLU A 84 14.482 -4.455 -1.422 1.00 0.00 C ATOM 1340 CG GLU A 84 14.964 -4.621 -2.854 1.00 0.00 C ATOM 1341 CD GLU A 84 14.860 -3.338 -3.656 1.00 0.00 C ATOM 1342 OE1 GLU A 84 13.875 -2.596 -3.463 1.00 0.00 O ATOM 1343 OE2 GLU A 84 15.765 -3.077 -4.476 1.00 0.00 O ATOM 0 H GLU A 84 12.171 -5.228 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 84 14.539 -6.570 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.714 -3.682 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.311 -4.104 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.000 -4.958 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.378 -5.399 -3.343 1.00 0.00 H new ATOM 1350 N TYR A 85 12.859 -5.124 1.271 1.00 0.00 N ATOM 1351 CA TYR A 85 12.698 -4.992 2.711 1.00 0.00 C ATOM 1352 C TYR A 85 12.548 -6.373 3.347 1.00 0.00 C ATOM 1353 O TYR A 85 12.898 -6.580 4.509 1.00 0.00 O ATOM 1354 CB TYR A 85 11.450 -4.148 2.993 1.00 0.00 C ATOM 1355 CG TYR A 85 11.375 -3.564 4.383 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.070 -4.362 5.477 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.581 -2.207 4.596 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.979 -3.825 6.746 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.489 -1.662 5.861 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.189 -2.474 6.933 1.00 0.00 C ATOM 1361 OH TYR A 85 11.095 -1.936 8.195 1.00 0.00 O ATOM 0 H TYR A 85 12.067 -4.773 0.733 1.00 0.00 H new ATOM 0 HA TYR A 85 13.576 -4.506 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.410 -3.333 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.567 -4.765 2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.901 -5.419 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.817 -1.568 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.745 -4.459 7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.651 -0.605 6.010 1.00 0.00 H new ATOM 0 HH TYR A 85 11.272 -0.973 8.154 1.00 0.00 H new ATOM 1371 N PHE A 86 12.009 -7.310 2.566 1.00 0.00 N ATOM 1372 CA PHE A 86 11.785 -8.676 3.025 1.00 0.00 C ATOM 1373 C PHE A 86 12.875 -9.626 2.534 1.00 0.00 C ATOM 1374 O PHE A 86 13.702 -10.090 3.318 1.00 0.00 O ATOM 1375 CB PHE A 86 10.409 -9.145 2.545 1.00 0.00 C ATOM 1376 CG PHE A 86 9.307 -8.646 3.426 1.00 0.00 C ATOM 1377 CD1 PHE A 86 9.025 -7.293 3.495 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.584 -9.519 4.216 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.040 -6.820 4.339 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.592 -9.055 5.057 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.322 -7.703 5.123 1.00 0.00 C ATOM 0 H PHE A 86 11.718 -7.142 1.603 1.00 0.00 H new ATOM 0 HA PHE A 86 11.821 -8.685 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.243 -8.798 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.386 -10.234 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.581 -6.599 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.797 -10.577 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.831 -5.761 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.028 -9.749 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.552 -7.336 5.785 1.00 0.00 H new ATOM 1391 N LYS A 87 12.873 -9.911 1.236 1.00 0.00 N ATOM 1392 CA LYS A 87 13.864 -10.806 0.646 1.00 0.00 C ATOM 1393 C LYS A 87 14.966 -10.014 -0.051 1.00 0.00 C ATOM 1394 O LYS A 87 14.651 -8.966 -0.651 1.00 0.00 O ATOM 1395 CB LYS A 87 13.195 -11.756 -0.350 1.00 0.00 C ATOM 1396 CG LYS A 87 12.590 -11.051 -1.553 1.00 0.00 C ATOM 1397 CD LYS A 87 13.538 -11.060 -2.740 1.00 0.00 C ATOM 1398 CE LYS A 87 12.795 -11.286 -4.047 1.00 0.00 C ATOM 1399 NZ LYS A 87 13.704 -11.748 -5.131 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.135 -10.449 0.012 1.00 0.00 O ATOM 0 H LYS A 87 12.196 -9.535 0.572 1.00 0.00 H new ATOM 0 HA LYS A 87 14.313 -11.390 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.931 -12.482 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.413 -12.315 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.655 -11.539 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.347 -10.022 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.075 -10.112 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.284 -11.843 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.008 -12.025 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.308 -10.360 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.158 -11.890 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.440 -11.032 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.150 -12.645 -4.851 1.00 0.00 H new TER 1414 LYS A 87