USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 64 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.19) USER MOD Set 1.2: A 83 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 73 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 31 THR OG1 : rot 129:sc= 0.335 USER MOD Set 3.2: A 41 GLN : amide:sc= -4.75! K(o=-4.4!,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 16:sc= 0.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0535 K(o=-0.054,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0102) USER MOD Single : A 18 GLN : amide:sc= -0.986 K(o=-0.99,f=-4.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0.259 USER MOD Single : A 36 SER OG : rot -160:sc= -0.63 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.456 K(o=-0.46,f=-5.8!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.971! C(o=-0.97!,f=-4.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 48:sc= 0.226 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.693 -25.854 14.462 1.00 0.00 N ATOM 2 CA GLY A 1 1.594 -25.414 13.413 1.00 0.00 C ATOM 3 C GLY A 1 2.763 -24.613 13.951 1.00 0.00 C ATOM 4 O GLY A 1 3.749 -25.180 14.422 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.089 -26.397 14.043 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.211 -26.455 15.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.311 -25.026 14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.971 -26.283 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.042 -24.808 12.695 1.00 0.00 H new ATOM 8 N SER A 2 2.655 -23.290 13.880 1.00 0.00 N ATOM 9 CA SER A 2 3.713 -22.409 14.360 1.00 0.00 C ATOM 10 C SER A 2 3.247 -21.608 15.571 1.00 0.00 C ATOM 11 O SER A 2 2.071 -21.261 15.685 1.00 0.00 O ATOM 12 CB SER A 2 4.158 -21.459 13.246 1.00 0.00 C ATOM 13 OG SER A 2 3.061 -20.719 12.739 1.00 0.00 O ATOM 0 H SER A 2 1.845 -22.805 13.494 1.00 0.00 H new ATOM 0 HA SER A 2 4.559 -23.028 14.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.916 -20.776 13.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.620 -22.029 12.440 1.00 0.00 H new ATOM 0 HG SER A 2 3.372 -20.118 12.030 1.00 0.00 H new ATOM 19 N SER A 3 4.177 -21.319 16.475 1.00 0.00 N ATOM 20 CA SER A 3 3.862 -20.562 17.681 1.00 0.00 C ATOM 21 C SER A 3 4.866 -19.433 17.892 1.00 0.00 C ATOM 22 O SER A 3 4.488 -18.287 18.132 1.00 0.00 O ATOM 23 CB SER A 3 3.853 -21.486 18.901 1.00 0.00 C ATOM 24 OG SER A 3 2.857 -22.487 18.775 1.00 0.00 O ATOM 0 H SER A 3 5.155 -21.598 16.395 1.00 0.00 H new ATOM 0 HA SER A 3 2.871 -20.125 17.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.831 -21.954 19.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.673 -20.901 19.803 1.00 0.00 H new ATOM 0 HG SER A 3 2.873 -23.065 19.566 1.00 0.00 H new ATOM 30 N GLY A 4 6.150 -19.767 17.802 1.00 0.00 N ATOM 31 CA GLY A 4 7.190 -18.771 17.985 1.00 0.00 C ATOM 32 C GLY A 4 8.420 -19.336 18.667 1.00 0.00 C ATOM 33 O GLY A 4 8.559 -20.552 18.804 1.00 0.00 O ATOM 0 H GLY A 4 6.488 -20.709 17.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.472 -18.362 17.015 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.797 -17.945 18.577 1.00 0.00 H new ATOM 37 N SER A 5 9.317 -18.453 19.094 1.00 0.00 N ATOM 38 CA SER A 5 10.545 -18.871 19.761 1.00 0.00 C ATOM 39 C SER A 5 11.012 -17.811 20.753 1.00 0.00 C ATOM 40 O SER A 5 10.707 -16.627 20.604 1.00 0.00 O ATOM 41 CB SER A 5 11.643 -19.141 18.730 1.00 0.00 C ATOM 42 OG SER A 5 11.517 -20.440 18.179 1.00 0.00 O ATOM 0 H SER A 5 9.217 -17.443 18.990 1.00 0.00 H new ATOM 0 HA SER A 5 10.337 -19.790 20.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.589 -18.398 17.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.621 -19.035 19.199 1.00 0.00 H new ATOM 0 HG SER A 5 10.623 -20.792 18.372 1.00 0.00 H new ATOM 48 N SER A 6 11.755 -18.245 21.767 1.00 0.00 N ATOM 49 CA SER A 6 12.262 -17.334 22.787 1.00 0.00 C ATOM 50 C SER A 6 13.735 -17.019 22.549 1.00 0.00 C ATOM 51 O SER A 6 14.436 -17.756 21.857 1.00 0.00 O ATOM 52 CB SER A 6 12.077 -17.941 24.179 1.00 0.00 C ATOM 53 OG SER A 6 12.291 -16.972 25.190 1.00 0.00 O ATOM 0 H SER A 6 12.019 -19.221 21.904 1.00 0.00 H new ATOM 0 HA SER A 6 11.695 -16.405 22.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.071 -18.350 24.270 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.772 -18.770 24.313 1.00 0.00 H new ATOM 0 HG SER A 6 12.165 -17.384 26.070 1.00 0.00 H new ATOM 59 N GLY A 7 14.199 -15.915 23.128 1.00 0.00 N ATOM 60 CA GLY A 7 15.586 -15.520 22.968 1.00 0.00 C ATOM 61 C GLY A 7 15.851 -14.866 21.626 1.00 0.00 C ATOM 62 O GLY A 7 15.496 -13.707 21.413 1.00 0.00 O ATOM 0 H GLY A 7 13.639 -15.288 23.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.858 -14.829 23.766 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.225 -16.397 23.074 1.00 0.00 H new ATOM 66 N GLU A 8 16.478 -15.610 20.721 1.00 0.00 N ATOM 67 CA GLU A 8 16.793 -15.093 19.394 1.00 0.00 C ATOM 68 C GLU A 8 15.522 -14.896 18.572 1.00 0.00 C ATOM 69 O GLU A 8 14.688 -15.795 18.473 1.00 0.00 O ATOM 70 CB GLU A 8 17.743 -16.045 18.664 1.00 0.00 C ATOM 71 CG GLU A 8 18.138 -15.565 17.277 1.00 0.00 C ATOM 72 CD GLU A 8 18.971 -14.299 17.313 1.00 0.00 C ATOM 73 OE1 GLU A 8 20.133 -14.365 17.767 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.461 -13.241 16.888 1.00 0.00 O ATOM 0 H GLU A 8 16.778 -16.572 20.882 1.00 0.00 H new ATOM 0 HA GLU A 8 17.281 -14.126 19.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.643 -16.177 19.264 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.270 -17.023 18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.699 -16.350 16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.238 -15.387 16.688 1.00 0.00 H new ATOM 81 N GLY A 9 15.383 -13.711 17.984 1.00 0.00 N ATOM 82 CA GLY A 9 14.212 -13.416 17.179 1.00 0.00 C ATOM 83 C GLY A 9 14.400 -12.189 16.309 1.00 0.00 C ATOM 84 O GLY A 9 15.371 -12.096 15.558 1.00 0.00 O ATOM 0 H GLY A 9 16.060 -12.951 18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.984 -14.274 16.547 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.354 -13.265 17.834 1.00 0.00 H new ATOM 88 N ASP A 10 13.470 -11.246 16.410 1.00 0.00 N ATOM 89 CA ASP A 10 13.538 -10.019 15.626 1.00 0.00 C ATOM 90 C ASP A 10 12.482 -9.019 16.089 1.00 0.00 C ATOM 91 O ASP A 10 11.279 -9.268 16.010 1.00 0.00 O ATOM 92 CB ASP A 10 13.349 -10.326 14.139 1.00 0.00 C ATOM 93 CG ASP A 10 12.167 -11.240 13.883 1.00 0.00 C ATOM 94 OD1 ASP A 10 12.261 -12.439 14.220 1.00 0.00 O ATOM 95 OD2 ASP A 10 11.149 -10.757 13.344 1.00 0.00 O ATOM 0 H ASP A 10 12.660 -11.308 17.027 1.00 0.00 H new ATOM 0 HA ASP A 10 14.523 -9.577 15.775 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.208 -9.393 13.593 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.255 -10.790 13.749 1.00 0.00 H new ATOM 100 N PRO A 11 12.941 -7.860 16.585 1.00 0.00 N ATOM 101 CA PRO A 11 12.053 -6.800 17.071 1.00 0.00 C ATOM 102 C PRO A 11 11.284 -6.125 15.941 1.00 0.00 C ATOM 103 O PRO A 11 11.581 -6.333 14.765 1.00 0.00 O ATOM 104 CB PRO A 11 13.014 -5.808 17.731 1.00 0.00 C ATOM 105 CG PRO A 11 14.318 -6.031 17.048 1.00 0.00 C ATOM 106 CD PRO A 11 14.363 -7.496 16.708 1.00 0.00 C ATOM 0 HA PRO A 11 11.288 -7.186 17.744 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.671 -4.781 17.604 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.093 -5.987 18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.397 -5.419 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.150 -5.755 17.696 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.906 -7.677 15.780 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.860 -8.074 17.487 1.00 0.00 H new ATOM 114 N GLU A 12 10.295 -5.315 16.305 1.00 0.00 N ATOM 115 CA GLU A 12 9.483 -4.610 15.321 1.00 0.00 C ATOM 116 C GLU A 12 10.240 -3.415 14.748 1.00 0.00 C ATOM 117 O GLU A 12 10.313 -2.356 15.371 1.00 0.00 O ATOM 118 CB GLU A 12 8.170 -4.142 15.950 1.00 0.00 C ATOM 119 CG GLU A 12 7.079 -3.847 14.935 1.00 0.00 C ATOM 120 CD GLU A 12 5.748 -3.523 15.585 1.00 0.00 C ATOM 121 OE1 GLU A 12 5.235 -4.373 16.343 1.00 0.00 O ATOM 122 OE2 GLU A 12 5.219 -2.420 15.336 1.00 0.00 O ATOM 0 H GLU A 12 10.037 -5.131 17.274 1.00 0.00 H new ATOM 0 HA GLU A 12 9.261 -5.302 14.509 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.815 -4.907 16.640 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.359 -3.244 16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.387 -3.009 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.958 -4.708 14.277 1.00 0.00 H new ATOM 129 N ASN A 13 10.801 -3.593 13.556 1.00 0.00 N ATOM 130 CA ASN A 13 11.553 -2.530 12.899 1.00 0.00 C ATOM 131 C ASN A 13 10.629 -1.641 12.072 1.00 0.00 C ATOM 132 O ASN A 13 10.435 -0.468 12.387 1.00 0.00 O ATOM 133 CB ASN A 13 12.641 -3.126 12.004 1.00 0.00 C ATOM 134 CG ASN A 13 13.932 -3.386 12.757 1.00 0.00 C ATOM 135 OD1 ASN A 13 13.965 -3.343 13.987 1.00 0.00 O ATOM 136 ND2 ASN A 13 15.002 -3.659 12.020 1.00 0.00 N ATOM 0 H ASN A 13 10.749 -4.463 13.026 1.00 0.00 H new ATOM 0 HA ASN A 13 12.021 -1.919 13.671 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.281 -4.060 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.838 -2.447 11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.898 -3.844 12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.928 -3.684 11.003 1.00 0.00 H new ATOM 143 N GLY A 14 10.061 -2.210 11.014 1.00 0.00 N ATOM 144 CA GLY A 14 9.164 -1.455 10.158 1.00 0.00 C ATOM 145 C GLY A 14 7.924 -0.983 10.892 1.00 0.00 C ATOM 146 O GLY A 14 7.714 -1.328 12.054 1.00 0.00 O ATOM 0 H GLY A 14 10.206 -3.180 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.693 -0.593 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.868 -2.074 9.311 1.00 0.00 H new ATOM 150 N GLU A 15 7.102 -0.189 10.212 1.00 0.00 N ATOM 151 CA GLU A 15 5.878 0.333 10.809 1.00 0.00 C ATOM 152 C GLU A 15 4.750 0.380 9.782 1.00 0.00 C ATOM 153 O GLU A 15 4.993 0.423 8.576 1.00 0.00 O ATOM 154 CB GLU A 15 6.120 1.731 11.382 1.00 0.00 C ATOM 155 CG GLU A 15 4.844 2.458 11.773 1.00 0.00 C ATOM 156 CD GLU A 15 5.111 3.705 12.593 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.647 4.682 12.031 1.00 0.00 O ATOM 158 OE2 GLU A 15 4.783 3.702 13.798 1.00 0.00 O ATOM 0 H GLU A 15 7.261 0.106 9.249 1.00 0.00 H new ATOM 0 HA GLU A 15 5.583 -0.337 11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.764 1.649 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.657 2.328 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.295 2.731 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.206 1.783 12.343 1.00 0.00 H new ATOM 165 N LYS A 16 3.514 0.372 10.270 1.00 0.00 N ATOM 166 CA LYS A 16 2.347 0.415 9.397 1.00 0.00 C ATOM 167 C LYS A 16 2.093 1.833 8.896 1.00 0.00 C ATOM 168 O LYS A 16 1.855 2.748 9.686 1.00 0.00 O ATOM 169 CB LYS A 16 1.112 -0.104 10.138 1.00 0.00 C ATOM 170 CG LYS A 16 1.224 -1.558 10.563 1.00 0.00 C ATOM 171 CD LYS A 16 0.393 -1.842 11.803 1.00 0.00 C ATOM 172 CE LYS A 16 -1.044 -2.190 11.444 1.00 0.00 C ATOM 173 NZ LYS A 16 -1.905 -0.978 11.366 1.00 0.00 N ATOM 0 H LYS A 16 3.295 0.336 11.266 1.00 0.00 H new ATOM 0 HA LYS A 16 2.544 -0.225 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.943 0.512 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.238 0.012 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.895 -2.203 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.268 -1.801 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.839 -2.665 12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.405 -0.970 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.063 -2.711 10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.449 -2.876 12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.894 -1.264 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.827 -0.439 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.596 -0.383 10.571 1.00 0.00 H new ATOM 187 N LEU A 17 2.144 2.008 7.580 1.00 0.00 N ATOM 188 CA LEU A 17 1.919 3.316 6.973 1.00 0.00 C ATOM 189 C LEU A 17 0.813 3.246 5.925 1.00 0.00 C ATOM 190 O LEU A 17 0.777 2.326 5.108 1.00 0.00 O ATOM 191 CB LEU A 17 3.209 3.833 6.336 1.00 0.00 C ATOM 192 CG LEU A 17 4.441 3.862 7.242 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.710 3.683 6.423 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.492 5.161 8.032 1.00 0.00 C ATOM 0 H LEU A 17 2.339 1.261 6.913 1.00 0.00 H new ATOM 0 HA LEU A 17 1.608 4.005 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.436 3.214 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.029 4.843 5.968 1.00 0.00 H new ATOM 0 HG LEU A 17 4.369 3.034 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.576 3.706 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.676 2.725 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.789 4.489 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.375 5.164 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.540 6.004 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.598 5.247 8.649 1.00 0.00 H new ATOM 206 N GLN A 18 -0.085 4.225 5.954 1.00 0.00 N ATOM 207 CA GLN A 18 -1.191 4.275 5.005 1.00 0.00 C ATOM 208 C GLN A 18 -0.948 5.340 3.941 1.00 0.00 C ATOM 209 O GLN A 18 -0.291 6.349 4.198 1.00 0.00 O ATOM 210 CB GLN A 18 -2.505 4.556 5.735 1.00 0.00 C ATOM 211 CG GLN A 18 -3.737 4.105 4.966 1.00 0.00 C ATOM 212 CD GLN A 18 -4.892 3.740 5.877 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.211 2.564 6.053 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.526 4.749 6.463 1.00 0.00 N ATOM 0 H GLN A 18 -0.069 4.994 6.624 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.258 3.305 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.488 4.055 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.581 5.626 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.050 4.901 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.480 3.244 4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.228 5.709 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.311 4.564 7.087 1.00 0.00 H new ATOM 223 N ILE A 19 -1.481 5.108 2.746 1.00 0.00 N ATOM 224 CA ILE A 19 -1.322 6.049 1.644 1.00 0.00 C ATOM 225 C ILE A 19 -2.657 6.325 0.960 1.00 0.00 C ATOM 226 O ILE A 19 -3.403 5.401 0.633 1.00 0.00 O ATOM 227 CB ILE A 19 -0.320 5.526 0.598 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.006 5.162 1.268 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.101 6.566 -0.492 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.754 6.356 1.817 1.00 0.00 C ATOM 0 H ILE A 19 -2.026 4.277 2.516 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.938 6.975 2.072 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.732 4.628 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.813 4.460 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.640 4.648 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.610 6.182 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.049 6.782 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.293 7.480 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.684 6.022 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.979 7.049 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.139 6.858 2.564 1.00 0.00 H new ATOM 242 N THR A 20 -2.952 7.603 0.744 1.00 0.00 N ATOM 243 CA THR A 20 -4.196 8.001 0.098 1.00 0.00 C ATOM 244 C THR A 20 -3.930 8.649 -1.256 1.00 0.00 C ATOM 245 O THR A 20 -3.473 9.791 -1.329 1.00 0.00 O ATOM 246 CB THR A 20 -4.996 8.983 0.975 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.078 8.486 2.316 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.396 9.189 0.419 1.00 0.00 C ATOM 0 H THR A 20 -2.346 8.380 1.007 1.00 0.00 H new ATOM 0 HA THR A 20 -4.782 7.093 -0.045 1.00 0.00 H new ATOM 0 HB THR A 20 -4.478 9.942 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.586 9.116 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.941 9.886 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.330 9.594 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.921 8.234 0.393 1.00 0.00 H new ATOM 256 N ILE A 21 -4.218 7.915 -2.325 1.00 0.00 N ATOM 257 CA ILE A 21 -4.011 8.421 -3.677 1.00 0.00 C ATOM 258 C ILE A 21 -5.330 8.843 -4.314 1.00 0.00 C ATOM 259 O ILE A 21 -6.180 8.006 -4.620 1.00 0.00 O ATOM 260 CB ILE A 21 -3.335 7.367 -4.574 1.00 0.00 C ATOM 261 CG1 ILE A 21 -1.964 6.988 -4.009 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.202 7.890 -5.997 1.00 0.00 C ATOM 263 CD1 ILE A 21 -1.150 6.113 -4.936 1.00 0.00 C ATOM 0 H ILE A 21 -4.595 6.968 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.357 9.289 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.958 6.473 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.403 7.898 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.102 6.469 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.723 7.134 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.191 8.114 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.597 8.797 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.191 5.884 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.690 5.186 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.981 6.638 -5.876 1.00 0.00 H new ATOM 275 N ARG A 22 -5.494 10.147 -4.512 1.00 0.00 N ATOM 276 CA ARG A 22 -6.710 10.681 -5.114 1.00 0.00 C ATOM 277 C ARG A 22 -6.671 10.542 -6.633 1.00 0.00 C ATOM 278 O ARG A 22 -5.703 10.944 -7.279 1.00 0.00 O ATOM 279 CB ARG A 22 -6.891 12.151 -4.730 1.00 0.00 C ATOM 280 CG ARG A 22 -7.650 12.351 -3.428 1.00 0.00 C ATOM 281 CD ARG A 22 -8.215 13.759 -3.324 1.00 0.00 C ATOM 282 NE ARG A 22 -7.185 14.740 -2.993 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.554 14.777 -1.825 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.847 13.893 -0.881 1.00 0.00 N ATOM 285 NH2 ARG A 22 -5.628 15.701 -1.599 1.00 0.00 N ATOM 0 H ARG A 22 -4.801 10.853 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.556 10.107 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.910 12.619 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.421 12.665 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.462 11.626 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.985 12.161 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.685 14.032 -4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.995 13.781 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.937 15.435 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.559 13.182 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.361 13.924 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.401 16.383 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.144 15.729 -0.702 1.00 0.00 H new ATOM 299 N ARG A 23 -7.731 9.971 -7.197 1.00 0.00 N ATOM 300 CA ARG A 23 -7.817 9.777 -8.640 1.00 0.00 C ATOM 301 C ARG A 23 -7.499 11.072 -9.382 1.00 0.00 C ATOM 302 O ARG A 23 -8.366 11.928 -9.557 1.00 0.00 O ATOM 303 CB ARG A 23 -9.212 9.284 -9.027 1.00 0.00 C ATOM 304 CG ARG A 23 -9.242 8.502 -10.330 1.00 0.00 C ATOM 305 CD ARG A 23 -10.596 7.849 -10.557 1.00 0.00 C ATOM 306 NE ARG A 23 -10.911 7.722 -11.977 1.00 0.00 N ATOM 307 CZ ARG A 23 -11.457 8.694 -12.699 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.748 9.858 -12.136 1.00 0.00 N ATOM 309 NH2 ARG A 23 -11.714 8.502 -13.987 1.00 0.00 N ATOM 0 H ARG A 23 -8.542 9.635 -6.677 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.081 9.025 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.601 8.655 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.880 10.141 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.015 9.169 -11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.466 7.737 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.605 6.862 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.370 8.439 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.700 6.838 -12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.553 10.009 -11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.167 10.603 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.492 7.607 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.133 9.249 -14.540 1.00 0.00 H new ATOM 323 N GLY A 24 -6.250 11.209 -9.816 1.00 0.00 N ATOM 324 CA GLY A 24 -5.840 12.402 -10.533 1.00 0.00 C ATOM 325 C GLY A 24 -5.395 12.102 -11.951 1.00 0.00 C ATOM 326 O GLY A 24 -6.019 11.302 -12.649 1.00 0.00 O ATOM 0 H GLY A 24 -5.515 10.515 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.668 13.110 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.024 12.884 -9.994 1.00 0.00 H new ATOM 330 N LYS A 25 -4.315 12.746 -12.379 1.00 0.00 N ATOM 331 CA LYS A 25 -3.786 12.545 -13.723 1.00 0.00 C ATOM 332 C LYS A 25 -3.742 11.061 -14.074 1.00 0.00 C ATOM 333 O LYS A 25 -2.854 10.334 -13.628 1.00 0.00 O ATOM 334 CB LYS A 25 -2.385 13.149 -13.838 1.00 0.00 C ATOM 335 CG LYS A 25 -2.378 14.668 -13.871 1.00 0.00 C ATOM 336 CD LYS A 25 -0.963 15.220 -13.834 1.00 0.00 C ATOM 337 CE LYS A 25 -0.244 14.997 -15.156 1.00 0.00 C ATOM 338 NZ LYS A 25 -0.577 16.052 -16.153 1.00 0.00 N ATOM 0 H LYS A 25 -3.788 13.412 -11.814 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.450 13.047 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.782 12.809 -12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.909 12.772 -14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.882 15.016 -14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.942 15.054 -13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.993 16.286 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.405 14.741 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.833 14.984 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.515 14.020 -15.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.068 15.865 -17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.601 16.047 -16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.295 16.982 -15.782 1.00 0.00 H new ATOM 352 N ASP A 26 -4.703 10.619 -14.877 1.00 0.00 N ATOM 353 CA ASP A 26 -4.772 9.222 -15.290 1.00 0.00 C ATOM 354 C ASP A 26 -5.042 8.314 -14.094 1.00 0.00 C ATOM 355 O ASP A 26 -4.407 7.272 -13.937 1.00 0.00 O ATOM 356 CB ASP A 26 -3.471 8.807 -15.978 1.00 0.00 C ATOM 357 CG ASP A 26 -3.679 7.695 -16.988 1.00 0.00 C ATOM 358 OD1 ASP A 26 -4.130 6.603 -16.583 1.00 0.00 O ATOM 359 OD2 ASP A 26 -3.389 7.916 -18.182 1.00 0.00 O ATOM 0 H ASP A 26 -5.445 11.208 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.596 9.118 -15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.036 9.672 -16.479 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.753 8.481 -15.225 1.00 0.00 H new ATOM 364 N GLY A 27 -5.988 8.719 -13.252 1.00 0.00 N ATOM 365 CA GLY A 27 -6.324 7.931 -12.080 1.00 0.00 C ATOM 366 C GLY A 27 -5.124 7.674 -11.191 1.00 0.00 C ATOM 367 O GLY A 27 -4.183 8.468 -11.160 1.00 0.00 O ATOM 0 H GLY A 27 -6.527 9.578 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.093 8.448 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.749 6.978 -12.396 1.00 0.00 H new ATOM 371 N PHE A 28 -5.155 6.562 -10.464 1.00 0.00 N ATOM 372 CA PHE A 28 -4.063 6.203 -9.567 1.00 0.00 C ATOM 373 C PHE A 28 -2.769 5.985 -10.347 1.00 0.00 C ATOM 374 O PHE A 28 -2.470 4.872 -10.777 1.00 0.00 O ATOM 375 CB PHE A 28 -4.416 4.939 -8.779 1.00 0.00 C ATOM 376 CG PHE A 28 -5.786 4.979 -8.165 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.141 5.999 -7.297 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.718 3.996 -8.456 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.400 6.037 -6.730 1.00 0.00 C ATOM 380 CE2 PHE A 28 -7.980 4.030 -7.892 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.321 5.052 -7.028 1.00 0.00 C ATOM 0 H PHE A 28 -5.925 5.893 -10.479 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.913 7.027 -8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.349 4.076 -9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.677 4.794 -7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.425 6.773 -7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.456 3.194 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.664 6.837 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.698 3.258 -8.127 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.306 5.081 -6.586 1.00 0.00 H new ATOM 391 N GLY A 29 -2.005 7.058 -10.524 1.00 0.00 N ATOM 392 CA GLY A 29 -0.752 6.965 -11.252 1.00 0.00 C ATOM 393 C GLY A 29 0.016 5.700 -10.924 1.00 0.00 C ATOM 394 O GLY A 29 0.814 5.223 -11.730 1.00 0.00 O ATOM 0 H GLY A 29 -2.231 7.990 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.954 6.996 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.134 7.832 -11.019 1.00 0.00 H new ATOM 398 N PHE A 30 -0.224 5.156 -9.735 1.00 0.00 N ATOM 399 CA PHE A 30 0.454 3.940 -9.301 1.00 0.00 C ATOM 400 C PHE A 30 -0.349 2.701 -9.689 1.00 0.00 C ATOM 401 O PHE A 30 -1.577 2.744 -9.775 1.00 0.00 O ATOM 402 CB PHE A 30 0.672 3.965 -7.787 1.00 0.00 C ATOM 403 CG PHE A 30 -0.472 3.384 -7.006 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.680 4.056 -6.918 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.339 2.165 -6.361 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.734 3.524 -6.199 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.390 1.627 -5.642 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.589 2.307 -5.562 1.00 0.00 C ATOM 0 H PHE A 30 -0.882 5.538 -9.056 1.00 0.00 H new ATOM 0 HA PHE A 30 1.422 3.896 -9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.581 3.412 -7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.833 4.995 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.800 5.006 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.597 1.629 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.670 4.059 -6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.273 0.676 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.412 1.888 -5.002 1.00 0.00 H new ATOM 418 N THR A 31 0.354 1.597 -9.924 1.00 0.00 N ATOM 419 CA THR A 31 -0.291 0.347 -10.305 1.00 0.00 C ATOM 420 C THR A 31 0.042 -0.766 -9.319 1.00 0.00 C ATOM 421 O THR A 31 1.008 -0.669 -8.562 1.00 0.00 O ATOM 422 CB THR A 31 0.129 -0.093 -11.720 1.00 0.00 C ATOM 423 OG1 THR A 31 1.456 0.364 -12.002 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.833 0.454 -12.765 1.00 0.00 C ATOM 0 H THR A 31 1.370 1.544 -9.857 1.00 0.00 H new ATOM 0 HA THR A 31 -1.366 0.529 -10.293 1.00 0.00 H new ATOM 0 HB THR A 31 0.104 -1.182 -11.760 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.001 -0.388 -12.315 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.516 0.130 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.838 0.081 -12.565 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.835 1.543 -12.723 1.00 0.00 H new ATOM 432 N ILE A 32 -0.763 -1.823 -9.334 1.00 0.00 N ATOM 433 CA ILE A 32 -0.552 -2.956 -8.441 1.00 0.00 C ATOM 434 C ILE A 32 -1.030 -4.256 -9.080 1.00 0.00 C ATOM 435 O ILE A 32 -2.195 -4.380 -9.460 1.00 0.00 O ATOM 436 CB ILE A 32 -1.280 -2.758 -7.099 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.794 -2.858 -7.295 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.906 -1.417 -6.486 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.336 -4.258 -7.116 1.00 0.00 C ATOM 0 H ILE A 32 -1.567 -1.919 -9.954 1.00 0.00 H new ATOM 0 HA ILE A 32 0.521 -3.018 -8.257 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.969 -3.547 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.288 -2.193 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.047 -2.505 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.429 -1.292 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.170 -1.383 -6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.191 -0.614 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.415 -4.253 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.869 -4.924 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.115 -4.608 -6.108 1.00 0.00 H new ATOM 451 N CYS A 33 -0.125 -5.221 -9.192 1.00 0.00 N ATOM 452 CA CYS A 33 -0.454 -6.513 -9.784 1.00 0.00 C ATOM 453 C CYS A 33 0.355 -7.631 -9.134 1.00 0.00 C ATOM 454 O CYS A 33 1.586 -7.602 -9.137 1.00 0.00 O ATOM 455 CB CYS A 33 -0.194 -6.489 -11.291 1.00 0.00 C ATOM 456 SG CYS A 33 -0.424 -8.086 -12.105 1.00 0.00 S ATOM 0 H CYS A 33 0.842 -5.134 -8.881 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.512 -6.706 -9.609 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.859 -5.759 -11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.826 -6.147 -11.468 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.183 -7.964 -13.377 1.00 0.00 H new ATOM 462 N CYS A 34 -0.344 -8.613 -8.576 1.00 0.00 N ATOM 463 CA CYS A 34 0.309 -9.740 -7.920 1.00 0.00 C ATOM 464 C CYS A 34 -0.719 -10.753 -7.428 1.00 0.00 C ATOM 465 O CYS A 34 -1.915 -10.612 -7.681 1.00 0.00 O ATOM 466 CB CYS A 34 1.162 -9.250 -6.749 1.00 0.00 C ATOM 467 SG CYS A 34 2.635 -10.251 -6.439 1.00 0.00 S ATOM 0 H CYS A 34 -1.363 -8.652 -8.565 1.00 0.00 H new ATOM 0 HA CYS A 34 0.954 -10.230 -8.650 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.469 -8.222 -6.942 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.549 -9.236 -5.848 1.00 0.00 H new ATOM 0 HG CYS A 34 3.292 -9.756 -5.432 1.00 0.00 H new ATOM 473 N ASP A 35 -0.244 -11.775 -6.725 1.00 0.00 N ATOM 474 CA ASP A 35 -1.122 -12.814 -6.197 1.00 0.00 C ATOM 475 C ASP A 35 -1.102 -12.819 -4.672 1.00 0.00 C ATOM 476 O ASP A 35 -0.037 -12.772 -4.055 1.00 0.00 O ATOM 477 CB ASP A 35 -0.703 -14.185 -6.730 1.00 0.00 C ATOM 478 CG ASP A 35 0.451 -14.781 -5.949 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.608 -14.393 -6.212 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.197 -15.638 -5.076 1.00 0.00 O ATOM 0 H ASP A 35 0.744 -11.907 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.138 -12.600 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.555 -14.864 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.419 -14.093 -7.778 1.00 0.00 H new ATOM 485 N SER A 36 -2.285 -12.876 -4.069 1.00 0.00 N ATOM 486 CA SER A 36 -2.404 -12.883 -2.616 1.00 0.00 C ATOM 487 C SER A 36 -1.200 -13.568 -1.976 1.00 0.00 C ATOM 488 O SER A 36 -0.913 -14.738 -2.227 1.00 0.00 O ATOM 489 CB SER A 36 -3.692 -13.589 -2.191 1.00 0.00 C ATOM 490 OG SER A 36 -3.726 -13.790 -0.789 1.00 0.00 O ATOM 0 H SER A 36 -3.175 -12.918 -4.565 1.00 0.00 H new ATOM 0 HA SER A 36 -2.436 -11.848 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.553 -12.995 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.769 -14.549 -2.701 1.00 0.00 H new ATOM 0 HG SER A 36 -4.370 -14.498 -0.575 1.00 0.00 H new ATOM 496 N PRO A 37 -0.477 -12.821 -1.128 1.00 0.00 N ATOM 497 CA PRO A 37 -0.808 -11.426 -0.822 1.00 0.00 C ATOM 498 C PRO A 37 -0.559 -10.498 -2.006 1.00 0.00 C ATOM 499 O PRO A 37 0.321 -10.748 -2.829 1.00 0.00 O ATOM 500 CB PRO A 37 0.135 -11.083 0.334 1.00 0.00 C ATOM 501 CG PRO A 37 1.288 -12.012 0.170 1.00 0.00 C ATOM 502 CD PRO A 37 0.720 -13.281 -0.403 1.00 0.00 C ATOM 0 HA PRO A 37 -1.864 -11.301 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.455 -10.042 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.353 -11.224 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.040 -11.587 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.777 -12.200 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.429 -13.774 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.466 -13.997 0.379 1.00 0.00 H new ATOM 510 N VAL A 38 -1.340 -9.425 -2.085 1.00 0.00 N ATOM 511 CA VAL A 38 -1.203 -8.458 -3.168 1.00 0.00 C ATOM 512 C VAL A 38 -0.078 -7.470 -2.883 1.00 0.00 C ATOM 513 O VAL A 38 0.054 -6.969 -1.766 1.00 0.00 O ATOM 514 CB VAL A 38 -2.512 -7.678 -3.393 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.304 -6.567 -4.410 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.622 -8.618 -3.838 1.00 0.00 C ATOM 0 H VAL A 38 -2.074 -9.204 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.966 -9.023 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.810 -7.222 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.240 -6.027 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.541 -5.879 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.982 -6.997 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.540 -8.050 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.335 -9.104 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.788 -9.374 -3.071 1.00 0.00 H new ATOM 526 N ARG A 39 0.731 -7.193 -3.900 1.00 0.00 N ATOM 527 CA ARG A 39 1.846 -6.264 -3.759 1.00 0.00 C ATOM 528 C ARG A 39 1.744 -5.133 -4.778 1.00 0.00 C ATOM 529 O ARG A 39 0.923 -5.181 -5.694 1.00 0.00 O ATOM 530 CB ARG A 39 3.176 -7.001 -3.930 1.00 0.00 C ATOM 531 CG ARG A 39 3.609 -7.771 -2.694 1.00 0.00 C ATOM 532 CD ARG A 39 4.960 -8.439 -2.898 1.00 0.00 C ATOM 533 NE ARG A 39 5.217 -9.472 -1.898 1.00 0.00 N ATOM 534 CZ ARG A 39 6.379 -10.103 -1.776 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.387 -9.807 -2.585 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.536 -11.032 -0.841 1.00 0.00 N ATOM 0 H ARG A 39 0.635 -7.599 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 39 1.803 -5.833 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.093 -7.693 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.951 -6.279 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.662 -7.093 -1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.861 -8.527 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.999 -8.881 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.747 -7.686 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 39 4.463 -9.722 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.271 -9.093 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.278 -10.294 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.764 -11.262 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.429 -11.516 -0.748 1.00 0.00 H new ATOM 550 N VAL A 40 2.584 -4.117 -4.612 1.00 0.00 N ATOM 551 CA VAL A 40 2.589 -2.973 -5.517 1.00 0.00 C ATOM 552 C VAL A 40 3.398 -3.272 -6.774 1.00 0.00 C ATOM 553 O VAL A 40 4.393 -3.995 -6.726 1.00 0.00 O ATOM 554 CB VAL A 40 3.166 -1.719 -4.834 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.387 -0.611 -5.852 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.247 -1.252 -3.716 1.00 0.00 C ATOM 0 H VAL A 40 3.270 -4.062 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 40 1.552 -2.782 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 40 4.131 -1.975 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.795 0.267 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.087 -0.952 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.437 -0.353 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.670 -0.365 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.267 -1.012 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.145 -2.044 -2.974 1.00 0.00 H new ATOM 566 N GLN A 41 2.965 -2.709 -7.898 1.00 0.00 N ATOM 567 CA GLN A 41 3.650 -2.915 -9.168 1.00 0.00 C ATOM 568 C GLN A 41 4.732 -1.861 -9.381 1.00 0.00 C ATOM 569 O GLN A 41 5.924 -2.164 -9.340 1.00 0.00 O ATOM 570 CB GLN A 41 2.648 -2.875 -10.324 1.00 0.00 C ATOM 571 CG GLN A 41 3.220 -3.371 -11.642 1.00 0.00 C ATOM 572 CD GLN A 41 4.119 -2.349 -12.310 1.00 0.00 C ATOM 573 OE1 GLN A 41 3.648 -1.456 -13.014 1.00 0.00 O ATOM 574 NE2 GLN A 41 5.423 -2.475 -12.091 1.00 0.00 N ATOM 0 H GLN A 41 2.143 -2.107 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 41 4.125 -3.896 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.780 -3.481 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.295 -1.852 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.785 -4.287 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.402 -3.625 -12.316 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.770 -3.231 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.077 -1.816 -12.514 1.00 0.00 H new ATOM 583 N ALA A 42 4.307 -0.622 -9.608 1.00 0.00 N ATOM 584 CA ALA A 42 5.240 0.477 -9.826 1.00 0.00 C ATOM 585 C ALA A 42 4.609 1.814 -9.454 1.00 0.00 C ATOM 586 O ALA A 42 3.388 1.967 -9.489 1.00 0.00 O ATOM 587 CB ALA A 42 5.705 0.495 -11.274 1.00 0.00 C ATOM 0 H ALA A 42 3.323 -0.354 -9.646 1.00 0.00 H new ATOM 0 HA ALA A 42 6.104 0.321 -9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.401 1.321 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.203 -0.446 -11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.845 0.623 -11.931 1.00 0.00 H new ATOM 593 N VAL A 43 5.449 2.781 -9.096 1.00 0.00 N ATOM 594 CA VAL A 43 4.973 4.106 -8.718 1.00 0.00 C ATOM 595 C VAL A 43 5.275 5.130 -9.806 1.00 0.00 C ATOM 596 O VAL A 43 6.373 5.155 -10.362 1.00 0.00 O ATOM 597 CB VAL A 43 5.610 4.575 -7.396 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.967 5.870 -6.923 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.490 3.492 -6.334 1.00 0.00 C ATOM 0 H VAL A 43 6.462 2.671 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 43 3.894 4.029 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 43 6.669 4.766 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.430 6.186 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.109 6.644 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.901 5.710 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.945 3.840 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.438 3.268 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.001 2.591 -6.673 1.00 0.00 H new ATOM 609 N ASP A 44 4.293 5.974 -10.105 1.00 0.00 N ATOM 610 CA ASP A 44 4.454 7.002 -11.127 1.00 0.00 C ATOM 611 C ASP A 44 5.351 8.130 -10.626 1.00 0.00 C ATOM 612 O ASP A 44 5.068 8.753 -9.603 1.00 0.00 O ATOM 613 CB ASP A 44 3.091 7.561 -11.536 1.00 0.00 C ATOM 614 CG ASP A 44 3.196 8.585 -12.650 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.376 9.781 -12.341 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.097 8.189 -13.831 1.00 0.00 O ATOM 0 H ASP A 44 3.378 5.966 -9.655 1.00 0.00 H new ATOM 0 HA ASP A 44 4.927 6.545 -11.997 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.448 6.742 -11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.614 8.019 -10.669 1.00 0.00 H new ATOM 621 N SER A 45 6.433 8.386 -11.353 1.00 0.00 N ATOM 622 CA SER A 45 7.374 9.435 -10.980 1.00 0.00 C ATOM 623 C SER A 45 6.733 10.813 -11.113 1.00 0.00 C ATOM 624 O SER A 45 6.467 11.283 -12.219 1.00 0.00 O ATOM 625 CB SER A 45 8.629 9.358 -11.853 1.00 0.00 C ATOM 626 OG SER A 45 9.456 8.275 -11.462 1.00 0.00 O ATOM 0 H SER A 45 6.680 7.881 -12.204 1.00 0.00 H new ATOM 0 HA SER A 45 7.654 9.283 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.342 9.242 -12.898 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.187 10.291 -11.777 1.00 0.00 H new ATOM 0 HG SER A 45 10.250 8.246 -12.036 1.00 0.00 H new ATOM 632 N GLY A 46 6.486 11.456 -9.976 1.00 0.00 N ATOM 633 CA GLY A 46 5.877 12.774 -9.986 1.00 0.00 C ATOM 634 C GLY A 46 4.377 12.718 -10.201 1.00 0.00 C ATOM 635 O GLY A 46 3.817 13.533 -10.933 1.00 0.00 O ATOM 0 H GLY A 46 6.697 11.088 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.087 13.275 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.332 13.375 -10.774 1.00 0.00 H new ATOM 639 N GLY A 47 3.725 11.751 -9.562 1.00 0.00 N ATOM 640 CA GLY A 47 2.287 11.609 -9.701 1.00 0.00 C ATOM 641 C GLY A 47 1.562 11.728 -8.375 1.00 0.00 C ATOM 642 O GLY A 47 2.165 11.992 -7.335 1.00 0.00 O ATOM 0 H GLY A 47 4.167 11.064 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.914 12.371 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.062 10.641 -10.149 1.00 0.00 H new ATOM 646 N PRO A 48 0.236 11.532 -8.402 1.00 0.00 N ATOM 647 CA PRO A 48 -0.602 11.614 -7.202 1.00 0.00 C ATOM 648 C PRO A 48 -0.352 10.458 -6.240 1.00 0.00 C ATOM 649 O PRO A 48 -1.002 10.352 -5.200 1.00 0.00 O ATOM 650 CB PRO A 48 -2.026 11.549 -7.758 1.00 0.00 C ATOM 651 CG PRO A 48 -1.894 10.828 -9.055 1.00 0.00 C ATOM 652 CD PRO A 48 -0.549 11.213 -9.607 1.00 0.00 C ATOM 0 HA PRO A 48 -0.397 12.514 -6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.693 11.020 -7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.441 12.547 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.963 9.750 -8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.693 11.110 -9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.100 10.399 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.620 12.069 -10.278 1.00 0.00 H new ATOM 660 N ALA A 49 0.595 9.595 -6.593 1.00 0.00 N ATOM 661 CA ALA A 49 0.932 8.448 -5.759 1.00 0.00 C ATOM 662 C ALA A 49 2.187 8.717 -4.937 1.00 0.00 C ATOM 663 O ALA A 49 2.147 8.710 -3.707 1.00 0.00 O ATOM 664 CB ALA A 49 1.118 7.207 -6.619 1.00 0.00 C ATOM 0 H ALA A 49 1.142 9.668 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 49 0.107 8.277 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.369 6.358 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.194 6.996 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.924 7.377 -7.333 1.00 0.00 H new ATOM 670 N GLU A 50 3.300 8.954 -5.624 1.00 0.00 N ATOM 671 CA GLU A 50 4.567 9.225 -4.955 1.00 0.00 C ATOM 672 C GLU A 50 4.497 10.526 -4.162 1.00 0.00 C ATOM 673 O GLU A 50 4.925 10.586 -3.009 1.00 0.00 O ATOM 674 CB GLU A 50 5.703 9.299 -5.978 1.00 0.00 C ATOM 675 CG GLU A 50 7.081 9.083 -5.374 1.00 0.00 C ATOM 676 CD GLU A 50 7.075 8.051 -4.262 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.704 8.408 -3.125 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.442 6.888 -4.530 1.00 0.00 O ATOM 0 H GLU A 50 3.350 8.964 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 50 4.764 8.408 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.533 8.550 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.678 10.273 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.771 8.765 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.455 10.030 -4.984 1.00 0.00 H new ATOM 685 N ARG A 51 3.955 11.566 -4.788 1.00 0.00 N ATOM 686 CA ARG A 51 3.830 12.866 -4.142 1.00 0.00 C ATOM 687 C ARG A 51 3.302 12.718 -2.718 1.00 0.00 C ATOM 688 O ARG A 51 3.594 13.538 -1.848 1.00 0.00 O ATOM 689 CB ARG A 51 2.901 13.774 -4.950 1.00 0.00 C ATOM 690 CG ARG A 51 1.425 13.474 -4.743 1.00 0.00 C ATOM 691 CD ARG A 51 0.545 14.531 -5.392 1.00 0.00 C ATOM 692 NE ARG A 51 1.023 14.899 -6.722 1.00 0.00 N ATOM 693 CZ ARG A 51 1.894 15.877 -6.945 1.00 0.00 C ATOM 694 NH1 ARG A 51 2.380 16.580 -5.931 1.00 0.00 N ATOM 695 NH2 ARG A 51 2.281 16.153 -8.184 1.00 0.00 N ATOM 0 H ARG A 51 3.596 11.533 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 51 4.821 13.318 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.094 14.812 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.139 13.673 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.189 12.496 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.209 13.424 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.477 14.158 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.516 15.418 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 51 0.669 14.377 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.085 16.370 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.049 17.330 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.910 15.614 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.950 16.904 -8.354 1.00 0.00 H new ATOM 709 N ALA A 52 2.522 11.667 -2.489 1.00 0.00 N ATOM 710 CA ALA A 52 1.954 11.410 -1.171 1.00 0.00 C ATOM 711 C ALA A 52 2.910 10.591 -0.311 1.00 0.00 C ATOM 712 O ALA A 52 2.990 10.782 0.901 1.00 0.00 O ATOM 713 CB ALA A 52 0.617 10.696 -1.303 1.00 0.00 C ATOM 0 H ALA A 52 2.269 10.980 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 52 1.795 12.369 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.204 10.510 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.073 11.318 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.761 9.747 -1.820 1.00 0.00 H new ATOM 719 N GLY A 53 3.635 9.676 -0.948 1.00 0.00 N ATOM 720 CA GLY A 53 4.577 8.840 -0.225 1.00 0.00 C ATOM 721 C GLY A 53 4.324 7.361 -0.442 1.00 0.00 C ATOM 722 O GLY A 53 4.446 6.560 0.486 1.00 0.00 O ATOM 0 H GLY A 53 3.587 9.499 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.591 9.082 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.514 9.064 0.840 1.00 0.00 H new ATOM 726 N LEU A 54 3.971 6.997 -1.669 1.00 0.00 N ATOM 727 CA LEU A 54 3.699 5.604 -2.005 1.00 0.00 C ATOM 728 C LEU A 54 4.912 4.956 -2.666 1.00 0.00 C ATOM 729 O LEU A 54 5.434 5.464 -3.657 1.00 0.00 O ATOM 730 CB LEU A 54 2.487 5.510 -2.934 1.00 0.00 C ATOM 731 CG LEU A 54 1.964 4.100 -3.214 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.491 4.143 -3.590 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.778 3.439 -4.316 1.00 0.00 C ATOM 0 H LEU A 54 3.866 7.647 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 54 3.483 5.069 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.677 6.097 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.746 5.975 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 54 2.069 3.506 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.136 3.131 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.081 4.576 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.361 4.752 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.392 2.437 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.704 4.031 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.822 3.375 -4.009 1.00 0.00 H new ATOM 745 N GLN A 55 5.352 3.832 -2.110 1.00 0.00 N ATOM 746 CA GLN A 55 6.502 3.114 -2.647 1.00 0.00 C ATOM 747 C GLN A 55 6.078 1.779 -3.249 1.00 0.00 C ATOM 748 O GLN A 55 5.045 1.222 -2.880 1.00 0.00 O ATOM 749 CB GLN A 55 7.544 2.886 -1.551 1.00 0.00 C ATOM 750 CG GLN A 55 8.529 4.034 -1.398 1.00 0.00 C ATOM 751 CD GLN A 55 8.012 5.129 -0.486 1.00 0.00 C ATOM 752 OE1 GLN A 55 7.569 6.180 -0.949 1.00 0.00 O ATOM 753 NE2 GLN A 55 8.067 4.887 0.819 1.00 0.00 N ATOM 0 H GLN A 55 4.930 3.399 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 55 6.943 3.723 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.032 2.729 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.096 1.972 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.469 3.651 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.745 4.456 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.442 4.001 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.734 5.587 1.482 1.00 0.00 H new ATOM 762 N GLN A 56 6.883 1.272 -4.177 1.00 0.00 N ATOM 763 CA GLN A 56 6.590 0.001 -4.830 1.00 0.00 C ATOM 764 C GLN A 56 7.336 -1.144 -4.154 1.00 0.00 C ATOM 765 O GLN A 56 8.168 -0.922 -3.273 1.00 0.00 O ATOM 766 CB GLN A 56 6.966 0.067 -6.312 1.00 0.00 C ATOM 767 CG GLN A 56 8.436 0.369 -6.553 1.00 0.00 C ATOM 768 CD GLN A 56 8.828 0.236 -8.011 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.992 1.232 -8.715 1.00 0.00 O ATOM 770 NE2 GLN A 56 8.981 -1.000 -8.473 1.00 0.00 N ATOM 0 H GLN A 56 7.742 1.721 -4.494 1.00 0.00 H new ATOM 0 HA GLN A 56 5.520 -0.186 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.717 -0.883 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.362 0.833 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.656 1.381 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.045 -0.308 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.835 -1.798 -7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.245 -1.152 -9.447 1.00 0.00 H new ATOM 779 N LEU A 57 7.033 -2.368 -4.571 1.00 0.00 N ATOM 780 CA LEU A 57 7.675 -3.550 -4.005 1.00 0.00 C ATOM 781 C LEU A 57 7.289 -3.730 -2.540 1.00 0.00 C ATOM 782 O LEU A 57 8.077 -4.232 -1.737 1.00 0.00 O ATOM 783 CB LEU A 57 9.195 -3.439 -4.133 1.00 0.00 C ATOM 784 CG LEU A 57 9.732 -3.162 -5.538 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.142 -2.597 -5.469 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.704 -4.430 -6.379 1.00 0.00 C ATOM 0 H LEU A 57 6.347 -2.568 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 57 7.332 -4.422 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.538 -2.644 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.639 -4.367 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 57 9.089 -2.421 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.507 -2.406 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.133 -1.665 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.798 -3.314 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.090 -4.214 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.323 -5.193 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.679 -4.792 -6.457 1.00 0.00 H new ATOM 798 N ASP A 58 6.072 -3.320 -2.199 1.00 0.00 N ATOM 799 CA ASP A 58 5.580 -3.439 -0.832 1.00 0.00 C ATOM 800 C ASP A 58 4.388 -4.389 -0.764 1.00 0.00 C ATOM 801 O ASP A 58 3.775 -4.708 -1.784 1.00 0.00 O ATOM 802 CB ASP A 58 5.185 -2.066 -0.288 1.00 0.00 C ATOM 803 CG ASP A 58 3.844 -1.597 -0.819 1.00 0.00 C ATOM 804 OD1 ASP A 58 2.854 -2.345 -0.677 1.00 0.00 O ATOM 805 OD2 ASP A 58 3.785 -0.481 -1.376 1.00 0.00 O ATOM 0 H ASP A 58 5.408 -2.902 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 58 6.383 -3.847 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.147 -2.107 0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.952 -1.339 -0.553 1.00 0.00 H new ATOM 810 N THR A 59 4.065 -4.841 0.444 1.00 0.00 N ATOM 811 CA THR A 59 2.949 -5.756 0.645 1.00 0.00 C ATOM 812 C THR A 59 1.707 -5.012 1.119 1.00 0.00 C ATOM 813 O THR A 59 1.793 -4.102 1.944 1.00 0.00 O ATOM 814 CB THR A 59 3.299 -6.853 1.668 1.00 0.00 C ATOM 815 OG1 THR A 59 4.409 -7.626 1.197 1.00 0.00 O ATOM 816 CG2 THR A 59 2.107 -7.765 1.912 1.00 0.00 C ATOM 0 H THR A 59 4.561 -4.588 1.298 1.00 0.00 H new ATOM 0 HA THR A 59 2.744 -6.221 -0.319 1.00 0.00 H new ATOM 0 HB THR A 59 3.566 -6.370 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.626 -8.320 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.378 -8.532 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.273 -7.179 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.814 -8.239 0.975 1.00 0.00 H new ATOM 824 N VAL A 60 0.550 -5.405 0.594 1.00 0.00 N ATOM 825 CA VAL A 60 -0.711 -4.776 0.966 1.00 0.00 C ATOM 826 C VAL A 60 -1.314 -5.440 2.199 1.00 0.00 C ATOM 827 O VAL A 60 -1.530 -6.653 2.222 1.00 0.00 O ATOM 828 CB VAL A 60 -1.731 -4.837 -0.187 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.008 -4.103 0.190 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.130 -4.260 -1.460 1.00 0.00 C ATOM 0 H VAL A 60 0.461 -6.156 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.490 -3.733 1.190 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.983 -5.881 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.716 -4.157 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.446 -4.566 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.778 -3.059 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.864 -4.311 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.848 -3.221 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.246 -4.835 -1.738 1.00 0.00 H new ATOM 840 N LEU A 61 -1.586 -4.639 3.223 1.00 0.00 N ATOM 841 CA LEU A 61 -2.166 -5.148 4.461 1.00 0.00 C ATOM 842 C LEU A 61 -3.689 -5.092 4.412 1.00 0.00 C ATOM 843 O LEU A 61 -4.359 -6.123 4.468 1.00 0.00 O ATOM 844 CB LEU A 61 -1.652 -4.344 5.657 1.00 0.00 C ATOM 845 CG LEU A 61 -0.178 -4.539 6.013 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.123 -3.948 7.381 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.189 -6.016 5.976 1.00 0.00 C ATOM 0 H LEU A 61 -1.414 -3.634 3.221 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.863 -6.189 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.820 -3.286 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.253 -4.603 6.529 1.00 0.00 H new ATOM 0 HG LEU A 61 0.427 -4.016 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.177 -4.096 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.101 -2.881 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.491 -4.442 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.242 -6.136 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.423 -6.561 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.012 -6.410 4.975 1.00 0.00 H new ATOM 859 N GLN A 62 -4.228 -3.882 4.306 1.00 0.00 N ATOM 860 CA GLN A 62 -5.673 -3.692 4.249 1.00 0.00 C ATOM 861 C GLN A 62 -6.027 -2.460 3.423 1.00 0.00 C ATOM 862 O GLN A 62 -5.234 -1.524 3.313 1.00 0.00 O ATOM 863 CB GLN A 62 -6.248 -3.558 5.660 1.00 0.00 C ATOM 864 CG GLN A 62 -5.884 -2.250 6.343 1.00 0.00 C ATOM 865 CD GLN A 62 -6.033 -2.318 7.850 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.072 -2.108 8.591 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.242 -2.612 8.313 1.00 0.00 N ATOM 0 H GLN A 62 -3.687 -3.019 4.258 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.111 -4.567 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.334 -3.643 5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.891 -4.388 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.855 -1.989 6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.518 -1.453 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.010 -2.779 7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.403 -2.671 9.319 1.00 0.00 H new ATOM 876 N LEU A 63 -7.224 -2.465 2.846 1.00 0.00 N ATOM 877 CA LEU A 63 -7.684 -1.347 2.030 1.00 0.00 C ATOM 878 C LEU A 63 -9.053 -0.860 2.495 1.00 0.00 C ATOM 879 O LEU A 63 -9.905 -1.656 2.885 1.00 0.00 O ATOM 880 CB LEU A 63 -7.749 -1.757 0.557 1.00 0.00 C ATOM 881 CG LEU A 63 -8.585 -0.858 -0.354 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.750 0.305 -0.868 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.159 -1.659 -1.513 1.00 0.00 C ATOM 0 H LEU A 63 -7.893 -3.231 2.928 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.971 -0.530 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.732 -1.792 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.148 -2.770 0.500 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.414 -0.454 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.362 0.934 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.389 0.894 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.901 -0.079 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.751 -1.003 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.345 -2.092 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.793 -2.457 -1.125 1.00 0.00 H new ATOM 895 N ASN A 64 -9.256 0.453 2.448 1.00 0.00 N ATOM 896 CA ASN A 64 -10.522 1.045 2.864 1.00 0.00 C ATOM 897 C ASN A 64 -11.019 0.414 4.160 1.00 0.00 C ATOM 898 O ASN A 64 -12.208 0.133 4.309 1.00 0.00 O ATOM 899 CB ASN A 64 -11.573 0.876 1.765 1.00 0.00 C ATOM 900 CG ASN A 64 -11.583 2.038 0.790 1.00 0.00 C ATOM 901 OD1 ASN A 64 -12.466 2.894 0.837 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.598 2.072 -0.100 1.00 0.00 N ATOM 0 H ASN A 64 -8.561 1.126 2.126 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.357 2.108 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.381 -0.049 1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.559 0.779 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.552 2.830 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.887 1.341 -0.102 1.00 0.00 H new ATOM 909 N GLU A 65 -10.100 0.194 5.095 1.00 0.00 N ATOM 910 CA GLU A 65 -10.446 -0.405 6.379 1.00 0.00 C ATOM 911 C GLU A 65 -11.015 -1.808 6.189 1.00 0.00 C ATOM 912 O GLU A 65 -11.892 -2.240 6.938 1.00 0.00 O ATOM 913 CB GLU A 65 -11.457 0.472 7.120 1.00 0.00 C ATOM 914 CG GLU A 65 -10.925 1.851 7.471 1.00 0.00 C ATOM 915 CD GLU A 65 -10.219 1.879 8.813 1.00 0.00 C ATOM 916 OE1 GLU A 65 -10.912 1.840 9.850 1.00 0.00 O ATOM 917 OE2 GLU A 65 -8.971 1.940 8.824 1.00 0.00 O ATOM 0 H GLU A 65 -9.111 0.421 4.988 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.536 -0.479 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.350 0.582 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.762 -0.034 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.234 2.178 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.751 2.563 7.484 1.00 0.00 H new ATOM 924 N ARG A 66 -10.510 -2.514 5.183 1.00 0.00 N ATOM 925 CA ARG A 66 -10.969 -3.867 4.893 1.00 0.00 C ATOM 926 C ARG A 66 -9.787 -4.822 4.743 1.00 0.00 C ATOM 927 O ARG A 66 -8.752 -4.482 4.171 1.00 0.00 O ATOM 928 CB ARG A 66 -11.813 -3.880 3.617 1.00 0.00 C ATOM 929 CG ARG A 66 -13.139 -3.150 3.757 1.00 0.00 C ATOM 930 CD ARG A 66 -13.608 -2.587 2.425 1.00 0.00 C ATOM 931 NE ARG A 66 -15.003 -2.155 2.474 1.00 0.00 N ATOM 932 CZ ARG A 66 -16.033 -2.977 2.308 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.826 -4.267 2.084 1.00 0.00 N ATOM 934 NH2 ARG A 66 -17.273 -2.508 2.367 1.00 0.00 N ATOM 0 H ARG A 66 -9.783 -2.172 4.555 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.582 -4.203 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.241 -3.425 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.005 -4.914 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.892 -3.833 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.035 -2.340 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.977 -1.743 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.490 -3.344 1.650 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.196 -1.168 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.874 -4.630 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.619 -4.896 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.435 -1.516 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.064 -3.140 2.239 1.00 0.00 H new ATOM 948 N PRO A 67 -9.944 -6.045 5.270 1.00 0.00 N ATOM 949 CA PRO A 67 -8.901 -7.073 5.208 1.00 0.00 C ATOM 950 C PRO A 67 -8.693 -7.602 3.793 1.00 0.00 C ATOM 951 O PRO A 67 -9.583 -8.225 3.215 1.00 0.00 O ATOM 952 CB PRO A 67 -9.439 -8.180 6.119 1.00 0.00 C ATOM 953 CG PRO A 67 -10.918 -7.998 6.103 1.00 0.00 C ATOM 954 CD PRO A 67 -11.152 -6.519 5.967 1.00 0.00 C ATOM 0 HA PRO A 67 -7.929 -6.686 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.158 -9.167 5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.040 -8.090 7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.369 -8.542 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.368 -8.382 7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.055 -6.306 5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.269 -6.040 6.939 1.00 0.00 H new ATOM 962 N VAL A 68 -7.510 -7.351 3.241 1.00 0.00 N ATOM 963 CA VAL A 68 -7.184 -7.804 1.893 1.00 0.00 C ATOM 964 C VAL A 68 -5.854 -8.548 1.871 1.00 0.00 C ATOM 965 O VAL A 68 -5.270 -8.762 0.809 1.00 0.00 O ATOM 966 CB VAL A 68 -7.117 -6.624 0.906 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.235 -5.631 1.182 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.758 -5.944 0.982 1.00 0.00 C ATOM 0 H VAL A 68 -6.762 -6.837 3.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.981 -8.481 1.584 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.250 -7.010 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.171 -4.805 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.199 -6.128 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.138 -5.247 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.727 -5.112 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.594 -5.570 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.977 -6.662 0.730 1.00 0.00 H new ATOM 978 N GLU A 69 -5.382 -8.941 3.050 1.00 0.00 N ATOM 979 CA GLU A 69 -4.119 -9.662 3.165 1.00 0.00 C ATOM 980 C GLU A 69 -4.167 -10.970 2.381 1.00 0.00 C ATOM 981 O GLU A 69 -3.141 -11.464 1.912 1.00 0.00 O ATOM 982 CB GLU A 69 -3.800 -9.945 4.634 1.00 0.00 C ATOM 983 CG GLU A 69 -2.311 -9.998 4.934 1.00 0.00 C ATOM 984 CD GLU A 69 -1.679 -11.313 4.522 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.652 -12.244 5.353 1.00 0.00 O ATOM 986 OE2 GLU A 69 -1.212 -11.411 3.368 1.00 0.00 O ATOM 0 H GLU A 69 -5.854 -8.773 3.938 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.332 -9.036 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.259 -9.174 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.254 -10.894 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.810 -9.180 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.154 -9.842 6.001 1.00 0.00 H new ATOM 993 N HIS A 70 -5.366 -11.528 2.245 1.00 0.00 N ATOM 994 CA HIS A 70 -5.549 -12.780 1.518 1.00 0.00 C ATOM 995 C HIS A 70 -6.272 -12.541 0.196 1.00 0.00 C ATOM 996 O HIS A 70 -6.840 -13.464 -0.387 1.00 0.00 O ATOM 997 CB HIS A 70 -6.334 -13.778 2.370 1.00 0.00 C ATOM 998 CG HIS A 70 -5.588 -14.253 3.578 1.00 0.00 C ATOM 999 ND1 HIS A 70 -4.943 -15.471 3.633 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.383 -13.666 4.780 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -4.376 -15.613 4.817 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -4.628 -14.532 5.532 1.00 0.00 N ATOM 0 H HIS A 70 -6.225 -11.133 2.628 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.564 -13.194 1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.268 -13.315 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.599 -14.638 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.746 -12.697 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.803 -16.468 5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.313 -14.367 6.488 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.247 -11.297 -0.269 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.901 -10.937 -1.522 1.00 0.00 C ATOM 1013 C TRP A 71 -5.917 -10.994 -2.686 1.00 0.00 C ATOM 1014 O TRP A 71 -4.715 -10.797 -2.506 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.508 -9.537 -1.420 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.716 -9.476 -0.535 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.086 -10.390 0.411 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.713 -8.449 -0.514 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.253 -9.992 1.018 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.657 -8.804 0.469 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.899 -7.263 -1.229 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.770 -8.016 0.752 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.004 -6.482 -0.948 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.927 -6.860 0.036 1.00 0.00 C ATOM 0 H TRP A 71 -5.781 -10.521 0.202 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.697 -11.658 -1.708 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.753 -8.848 -1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.780 -9.193 -2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.541 -11.292 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.739 -10.499 1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.192 -6.962 -1.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.483 -8.307 1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.159 -5.565 -1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.779 -6.227 0.233 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.435 -11.264 -3.879 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.602 -11.346 -5.074 1.00 0.00 C ATOM 1037 C LYS A 72 -5.859 -10.160 -5.997 1.00 0.00 C ATOM 1038 O LYS A 72 -6.895 -9.501 -5.904 1.00 0.00 O ATOM 1039 CB LYS A 72 -5.872 -12.655 -5.820 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.642 -13.896 -4.974 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.358 -15.114 -5.837 1.00 0.00 C ATOM 1042 CE LYS A 72 -5.782 -16.399 -5.144 1.00 0.00 C ATOM 1043 NZ LYS A 72 -5.077 -17.588 -5.699 1.00 0.00 N ATOM 0 H LYS A 72 -7.428 -11.430 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.558 -11.322 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.902 -12.654 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.230 -12.701 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.805 -13.726 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.520 -14.084 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.886 -15.020 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.294 -15.158 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.576 -16.321 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.858 -16.532 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.394 -18.444 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.293 -17.678 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.051 -17.474 -5.573 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.910 -9.894 -6.888 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.033 -8.787 -7.830 1.00 0.00 C ATOM 1059 C CYS A 73 -6.488 -8.583 -8.242 1.00 0.00 C ATOM 1060 O CYS A 73 -7.003 -7.466 -8.207 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.172 -9.044 -9.067 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.283 -7.750 -10.325 1.00 0.00 S ATOM 0 H CYS A 73 -4.047 -10.430 -6.978 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.683 -7.881 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.132 -9.147 -8.758 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.468 -9.994 -9.511 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.519 -8.056 -11.331 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.144 -9.671 -8.633 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.540 -9.612 -9.052 1.00 0.00 C ATOM 1070 C VAL A 74 -9.435 -9.130 -7.916 1.00 0.00 C ATOM 1071 O VAL A 74 -10.228 -8.206 -8.088 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.038 -10.987 -9.537 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.843 -12.038 -8.455 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -10.499 -10.906 -9.956 1.00 0.00 C ATOM 0 H VAL A 74 -6.732 -10.603 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.594 -8.902 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.450 -11.282 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.201 -13.002 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.784 -12.113 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.404 -11.753 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.835 -11.886 -10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.104 -10.590 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.606 -10.185 -10.766 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.301 -9.764 -6.755 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.099 -9.399 -5.591 1.00 0.00 C ATOM 1086 C GLU A 75 -9.928 -7.920 -5.255 1.00 0.00 C ATOM 1087 O GLU A 75 -10.907 -7.201 -5.050 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.705 -10.255 -4.385 1.00 0.00 C ATOM 1089 CG GLU A 75 -9.791 -11.750 -4.646 1.00 0.00 C ATOM 1090 CD GLU A 75 -11.199 -12.289 -4.485 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.143 -11.643 -4.987 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -11.358 -13.356 -3.856 1.00 0.00 O ATOM 0 H GLU A 75 -8.648 -10.532 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.147 -9.581 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.686 -10.004 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.352 -10.004 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.439 -11.960 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.125 -12.274 -3.961 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.679 -7.473 -5.201 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.378 -6.080 -4.890 1.00 0.00 C ATOM 1101 C LEU A 76 -8.820 -5.161 -6.025 1.00 0.00 C ATOM 1102 O LEU A 76 -9.702 -4.321 -5.849 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.880 -5.906 -4.632 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.436 -4.520 -4.162 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.487 -3.903 -3.252 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.094 -4.604 -3.450 1.00 0.00 C ATOM 0 H LEU A 76 -7.858 -8.055 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.929 -5.807 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.573 -6.637 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.343 -6.145 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.322 -3.880 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.154 -2.917 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.427 -3.808 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.634 -4.541 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.793 -3.609 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.182 -5.260 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.344 -5.003 -4.133 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.202 -5.328 -7.190 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.535 -4.517 -8.354 1.00 0.00 C ATOM 1120 C ALA A 77 -10.017 -4.159 -8.369 1.00 0.00 C ATOM 1121 O ALA A 77 -10.398 -3.067 -8.791 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.153 -5.248 -9.633 1.00 0.00 C ATOM 0 H ALA A 77 -7.468 -6.018 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.966 -3.590 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.407 -4.631 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.081 -5.446 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.697 -6.191 -9.689 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.849 -5.087 -7.907 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.291 -4.869 -7.867 1.00 0.00 C ATOM 1130 C HIS A 78 -12.639 -3.702 -6.949 1.00 0.00 C ATOM 1131 O HIS A 78 -13.360 -2.785 -7.342 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.007 -6.136 -7.395 1.00 0.00 C ATOM 1133 CG HIS A 78 -13.256 -7.126 -8.491 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -12.274 -7.545 -9.364 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -14.383 -7.783 -8.851 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -12.787 -8.416 -10.215 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -14.065 -8.578 -9.925 1.00 0.00 N ATOM 0 H HIS A 78 -10.550 -5.997 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.625 -4.626 -8.876 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.411 -6.611 -6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.960 -5.859 -6.944 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -11.303 -7.232 -9.354 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.352 -7.698 -8.381 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -12.252 -8.911 -11.012 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.123 -3.744 -5.724 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.381 -2.690 -4.750 1.00 0.00 C ATOM 1148 C GLU A 79 -11.851 -1.348 -5.247 1.00 0.00 C ATOM 1149 O GLU A 79 -12.610 -0.394 -5.419 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.739 -3.039 -3.406 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.497 -2.489 -2.209 1.00 0.00 C ATOM 1152 CD GLU A 79 -12.284 -1.000 -2.017 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -12.392 -0.253 -3.012 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -12.011 -0.582 -0.873 1.00 0.00 O ATOM 0 H GLU A 79 -11.524 -4.496 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.460 -2.608 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.671 -4.123 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.720 -2.653 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.561 -2.686 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.180 -3.016 -1.309 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.543 -1.283 -5.475 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.911 -0.060 -5.952 1.00 0.00 C ATOM 1163 C ILE A 80 -10.826 0.693 -6.913 1.00 0.00 C ATOM 1164 O ILE A 80 -10.936 1.917 -6.851 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.575 -0.355 -6.658 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.544 -0.871 -5.651 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.059 0.893 -7.359 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.262 -1.352 -6.292 1.00 0.00 C ATOM 0 H ILE A 80 -9.901 -2.063 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.720 0.559 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.741 -1.128 -7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.311 -0.076 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.984 -1.688 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.114 0.668 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.787 1.221 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.906 1.685 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.578 -1.703 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.483 -2.169 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.799 -0.531 -6.840 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.481 -0.049 -7.800 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.387 0.548 -8.774 1.00 0.00 C ATOM 1182 C ARG A 81 -13.680 1.004 -8.106 1.00 0.00 C ATOM 1183 O ARG A 81 -14.197 2.081 -8.401 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.701 -0.451 -9.889 1.00 0.00 C ATOM 1185 CG ARG A 81 -11.593 -0.580 -10.921 1.00 0.00 C ATOM 1186 CD ARG A 81 -11.577 0.606 -11.873 1.00 0.00 C ATOM 1187 NE ARG A 81 -11.055 0.245 -13.189 1.00 0.00 N ATOM 1188 CZ ARG A 81 -10.674 1.135 -14.097 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -10.756 2.432 -13.835 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -10.209 0.729 -15.272 1.00 0.00 N ATOM 0 H ARG A 81 -11.401 -1.064 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.894 1.420 -9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.889 -1.429 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.619 -0.146 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.630 -0.655 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -11.728 -1.501 -11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.588 0.999 -11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.968 1.404 -11.448 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.979 -0.745 -13.423 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.113 2.749 -12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.462 3.113 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.144 -0.268 -15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.917 1.414 -15.969 1.00 0.00 H new ATOM 1204 N SER A 82 -14.198 0.175 -7.204 1.00 0.00 N ATOM 1205 CA SER A 82 -15.434 0.491 -6.497 1.00 0.00 C ATOM 1206 C SER A 82 -15.494 1.974 -6.144 1.00 0.00 C ATOM 1207 O SER A 82 -16.469 2.659 -6.457 1.00 0.00 O ATOM 1208 CB SER A 82 -15.548 -0.352 -5.226 1.00 0.00 C ATOM 1209 OG SER A 82 -16.763 -0.088 -4.546 1.00 0.00 O ATOM 0 H SER A 82 -13.781 -0.719 -6.946 1.00 0.00 H new ATOM 0 HA SER A 82 -16.271 0.258 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.493 -1.410 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.706 -0.139 -4.568 1.00 0.00 H new ATOM 0 HG SER A 82 -16.812 -0.640 -3.738 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.446 2.464 -5.492 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.378 3.866 -5.095 1.00 0.00 C ATOM 1217 C CYS A 83 -13.832 4.726 -6.229 1.00 0.00 C ATOM 1218 O CYS A 83 -12.655 4.657 -6.582 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.502 4.023 -3.851 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.407 3.901 -2.291 1.00 0.00 S ATOM 0 H CYS A 83 -13.631 1.911 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.389 4.202 -4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.725 3.259 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.000 4.990 -3.893 1.00 0.00 H new ATOM 0 HG CYS A 83 -13.581 4.044 -1.298 1.00 0.00 H new ATOM 1226 N PRO A 84 -14.707 5.556 -6.816 1.00 0.00 N ATOM 1227 CA PRO A 84 -14.335 6.446 -7.921 1.00 0.00 C ATOM 1228 C PRO A 84 -13.415 7.575 -7.471 1.00 0.00 C ATOM 1229 O PRO A 84 -12.363 7.807 -8.067 1.00 0.00 O ATOM 1230 CB PRO A 84 -15.679 7.006 -8.393 1.00 0.00 C ATOM 1231 CG PRO A 84 -16.567 6.916 -7.200 1.00 0.00 C ATOM 1232 CD PRO A 84 -16.126 5.691 -6.447 1.00 0.00 C ATOM 0 HA PRO A 84 -13.780 5.921 -8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.580 8.036 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.077 6.429 -9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.479 7.808 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.613 6.836 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.251 5.814 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.702 4.812 -6.737 1.00 0.00 H new ATOM 1240 N SER A 85 -13.818 8.276 -6.416 1.00 0.00 N ATOM 1241 CA SER A 85 -13.030 9.384 -5.888 1.00 0.00 C ATOM 1242 C SER A 85 -11.571 8.977 -5.708 1.00 0.00 C ATOM 1243 O SER A 85 -10.713 9.334 -6.514 1.00 0.00 O ATOM 1244 CB SER A 85 -13.608 9.857 -4.552 1.00 0.00 C ATOM 1245 OG SER A 85 -14.927 10.350 -4.713 1.00 0.00 O ATOM 0 H SER A 85 -14.685 8.097 -5.910 1.00 0.00 H new ATOM 0 HA SER A 85 -13.074 10.203 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.609 9.032 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.973 10.638 -4.134 1.00 0.00 H new ATOM 0 HG SER A 85 -15.274 10.644 -3.845 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.299 8.226 -4.645 1.00 0.00 N ATOM 1252 CA GLU A 86 -9.944 7.770 -4.359 1.00 0.00 C ATOM 1253 C GLU A 86 -9.964 6.454 -3.588 1.00 0.00 C ATOM 1254 O GLU A 86 -11.027 5.884 -3.340 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.184 8.831 -3.559 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.625 8.931 -2.109 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.334 7.668 -1.322 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -8.156 7.441 -0.977 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -10.286 6.906 -1.051 1.00 0.00 O ATOM 0 H GLU A 86 -11.999 7.921 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.435 7.607 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.118 8.604 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.318 9.801 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.120 9.773 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.694 9.139 -2.072 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.782 5.976 -3.213 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.663 4.728 -2.470 1.00 0.00 C ATOM 1268 C ILE A 87 -7.593 4.831 -1.389 1.00 0.00 C ATOM 1269 O ILE A 87 -6.602 5.544 -1.549 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.325 3.549 -3.402 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.015 3.818 -4.145 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.459 3.309 -4.387 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.253 2.561 -4.501 1.00 0.00 C ATOM 0 H ILE A 87 -7.893 6.435 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.631 4.545 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.200 2.651 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.232 4.372 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.381 4.455 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.204 2.473 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.373 3.078 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.613 4.204 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.336 2.828 -5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.005 2.016 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.869 1.932 -5.144 1.00 0.00 H new ATOM 1285 N ILE A 88 -7.799 4.113 -0.290 1.00 0.00 N ATOM 1286 CA ILE A 88 -6.850 4.121 0.816 1.00 0.00 C ATOM 1287 C ILE A 88 -6.258 2.734 1.043 1.00 0.00 C ATOM 1288 O ILE A 88 -6.906 1.855 1.612 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.511 4.604 2.121 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.082 6.012 1.938 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.507 4.578 3.264 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.110 6.387 2.983 1.00 0.00 C ATOM 0 H ILE A 88 -8.615 3.519 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.053 4.813 0.543 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.331 3.929 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.265 6.733 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.536 6.086 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.989 4.922 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.143 3.560 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.669 5.233 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.472 7.397 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.945 5.688 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.655 6.346 3.972 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.021 2.545 0.595 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.339 1.265 0.750 1.00 0.00 C ATOM 1306 C LEU A 89 -3.228 1.363 1.790 1.00 0.00 C ATOM 1307 O LEU A 89 -2.380 2.255 1.727 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.760 0.808 -0.590 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.954 1.852 -1.364 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.898 1.178 -2.227 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.875 2.711 -2.218 1.00 0.00 C ATOM 0 H LEU A 89 -4.471 3.262 0.122 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.069 0.531 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.120 -0.056 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.582 0.471 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.449 2.499 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.334 1.936 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.220 0.607 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.382 0.507 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.284 3.448 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.408 2.078 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.593 3.223 -1.577 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.236 0.440 2.746 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.227 0.421 3.799 1.00 0.00 C ATOM 1325 C LEU A 90 -1.192 -0.670 3.542 1.00 0.00 C ATOM 1326 O LEU A 90 -1.540 -1.812 3.241 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.888 0.202 5.161 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.940 -0.058 6.333 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.185 1.210 6.700 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.710 -0.589 7.534 1.00 0.00 C ATOM 0 H LEU A 90 -3.930 -0.305 2.813 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.719 1.385 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.491 1.079 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.572 -0.642 5.079 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.215 -0.813 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.516 1.006 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.603 1.548 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.895 1.986 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.020 -0.768 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.458 0.143 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.205 -1.522 7.265 1.00 0.00 H new ATOM 1342 N VAL A 91 0.082 -0.311 3.665 1.00 0.00 N ATOM 1343 CA VAL A 91 1.168 -1.259 3.449 1.00 0.00 C ATOM 1344 C VAL A 91 2.183 -1.200 4.585 1.00 0.00 C ATOM 1345 O VAL A 91 2.135 -0.304 5.428 1.00 0.00 O ATOM 1346 CB VAL A 91 1.890 -0.992 2.115 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.894 -0.954 0.967 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.681 0.305 2.189 1.00 0.00 C ATOM 0 H VAL A 91 0.387 0.630 3.913 1.00 0.00 H new ATOM 0 HA VAL A 91 0.720 -2.252 3.418 1.00 0.00 H new ATOM 0 HB VAL A 91 2.589 -1.808 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.423 -0.764 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.376 -1.911 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.168 -0.160 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.185 0.479 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.003 1.133 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.422 0.234 2.985 1.00 0.00 H new ATOM 1358 N TRP A 92 3.101 -2.160 4.601 1.00 0.00 N ATOM 1359 CA TRP A 92 4.129 -2.217 5.634 1.00 0.00 C ATOM 1360 C TRP A 92 5.482 -1.785 5.079 1.00 0.00 C ATOM 1361 O TRP A 92 5.909 -2.255 4.025 1.00 0.00 O ATOM 1362 CB TRP A 92 4.227 -3.631 6.208 1.00 0.00 C ATOM 1363 CG TRP A 92 5.455 -3.852 7.038 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.703 -4.170 6.585 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.552 -3.772 8.464 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.570 -4.294 7.644 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.888 -4.054 8.807 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.640 -3.489 9.484 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.332 -4.060 10.127 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.081 -3.496 10.793 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.418 -3.779 11.106 1.00 0.00 C ATOM 0 H TRP A 92 3.154 -2.909 3.911 1.00 0.00 H new ATOM 0 HA TRP A 92 3.847 -1.528 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.345 -3.830 6.817 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.217 -4.349 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.970 -4.304 5.547 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.561 -4.527 7.575 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.608 -3.269 9.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.361 -4.279 10.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.384 -3.280 11.589 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.733 -3.775 12.139 1.00 0.00 H new ATOM 1382 N ARG A 93 6.152 -0.889 5.796 1.00 0.00 N ATOM 1383 CA ARG A 93 7.457 -0.394 5.374 1.00 0.00 C ATOM 1384 C ARG A 93 8.511 -0.658 6.445 1.00 0.00 C ATOM 1385 O ARG A 93 8.190 -0.806 7.624 1.00 0.00 O ATOM 1386 CB ARG A 93 7.385 1.104 5.073 1.00 0.00 C ATOM 1387 CG ARG A 93 8.401 1.568 4.042 1.00 0.00 C ATOM 1388 CD ARG A 93 7.864 1.427 2.627 1.00 0.00 C ATOM 1389 NE ARG A 93 6.728 2.312 2.382 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.812 2.091 1.445 1.00 0.00 C ATOM 1391 NH1 ARG A 93 5.898 1.019 0.669 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.808 2.942 1.284 1.00 0.00 N ATOM 0 H ARG A 93 5.813 -0.491 6.672 1.00 0.00 H new ATOM 0 HA ARG A 93 7.744 -0.927 4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.383 1.347 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.539 1.660 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.663 2.609 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.317 0.986 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.658 1.650 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.562 0.394 2.455 1.00 0.00 H new ATOM 0 HE ARG A 93 6.633 3.146 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.669 0.362 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.194 0.852 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.738 3.767 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.105 2.772 0.565 1.00 0.00 H new ATOM 1406 N VAL A 94 9.771 -0.716 6.026 1.00 0.00 N ATOM 1407 CA VAL A 94 10.873 -0.962 6.949 1.00 0.00 C ATOM 1408 C VAL A 94 11.910 0.153 6.876 1.00 0.00 C ATOM 1409 O VAL A 94 12.289 0.592 5.791 1.00 0.00 O ATOM 1410 CB VAL A 94 11.561 -2.308 6.656 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.634 -2.597 7.695 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.537 -3.431 6.610 1.00 0.00 C ATOM 0 H VAL A 94 10.054 -0.596 5.053 1.00 0.00 H new ATOM 0 HA VAL A 94 10.446 -0.992 7.951 1.00 0.00 H new ATOM 0 HB VAL A 94 12.042 -2.245 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.109 -3.552 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.383 -1.805 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.180 -2.641 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.041 -4.375 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.026 -3.497 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.809 -3.228 5.825 1.00 0.00 H new ATOM 1422 N SER A 95 12.365 0.608 8.040 1.00 0.00 N ATOM 1423 CA SER A 95 13.357 1.675 8.108 1.00 0.00 C ATOM 1424 C SER A 95 14.686 1.148 8.642 1.00 0.00 C ATOM 1425 O SER A 95 14.770 0.680 9.776 1.00 0.00 O ATOM 1426 CB SER A 95 12.852 2.812 8.998 1.00 0.00 C ATOM 1427 OG SER A 95 12.422 2.323 10.257 1.00 0.00 O ATOM 0 H SER A 95 12.063 0.255 8.948 1.00 0.00 H new ATOM 0 HA SER A 95 13.516 2.055 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.645 3.546 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.028 3.326 8.504 1.00 0.00 H new ATOM 0 HG SER A 95 13.101 1.718 10.622 1.00 0.00 H new ATOM 1433 N GLY A 96 15.723 1.229 7.814 1.00 0.00 N ATOM 1434 CA GLY A 96 17.034 0.757 8.219 1.00 0.00 C ATOM 1435 C GLY A 96 17.809 0.142 7.070 1.00 0.00 C ATOM 1436 O GLY A 96 17.235 -0.357 6.102 1.00 0.00 O ATOM 0 H GLY A 96 15.679 1.613 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.604 1.588 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.922 0.019 9.014 1.00 0.00 H new ATOM 1440 N PRO A 97 19.146 0.176 7.169 1.00 0.00 N ATOM 1441 CA PRO A 97 20.030 -0.376 6.138 1.00 0.00 C ATOM 1442 C PRO A 97 19.975 -1.899 6.082 1.00 0.00 C ATOM 1443 O PRO A 97 19.422 -2.542 6.974 1.00 0.00 O ATOM 1444 CB PRO A 97 21.421 0.093 6.574 1.00 0.00 C ATOM 1445 CG PRO A 97 21.308 0.295 8.046 1.00 0.00 C ATOM 1446 CD PRO A 97 19.899 0.756 8.294 1.00 0.00 C ATOM 0 HA PRO A 97 19.747 -0.044 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.182 -0.649 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.704 1.016 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 21.516 -0.630 8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 97 22.028 1.035 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 97 19.524 0.401 9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 97 19.829 1.844 8.306 1.00 0.00 H new ATOM 1454 N SER A 98 20.553 -2.469 5.030 1.00 0.00 N ATOM 1455 CA SER A 98 20.567 -3.917 4.856 1.00 0.00 C ATOM 1456 C SER A 98 21.921 -4.498 5.250 1.00 0.00 C ATOM 1457 O SER A 98 22.009 -5.358 6.126 1.00 0.00 O ATOM 1458 CB SER A 98 20.244 -4.281 3.406 1.00 0.00 C ATOM 1459 OG SER A 98 18.850 -4.217 3.162 1.00 0.00 O ATOM 0 H SER A 98 21.018 -1.950 4.285 1.00 0.00 H new ATOM 0 HA SER A 98 19.805 -4.344 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.766 -3.601 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.608 -5.285 3.190 1.00 0.00 H new ATOM 0 HG SER A 98 18.670 -4.452 2.228 1.00 0.00 H new ATOM 1465 N SER A 99 22.975 -4.022 4.594 1.00 0.00 N ATOM 1466 CA SER A 99 24.326 -4.497 4.872 1.00 0.00 C ATOM 1467 C SER A 99 24.978 -3.666 5.972 1.00 0.00 C ATOM 1468 O SER A 99 25.008 -2.438 5.903 1.00 0.00 O ATOM 1469 CB SER A 99 25.179 -4.443 3.603 1.00 0.00 C ATOM 1470 OG SER A 99 26.176 -5.450 3.616 1.00 0.00 O ATOM 0 H SER A 99 22.920 -3.309 3.867 1.00 0.00 H new ATOM 0 HA SER A 99 24.259 -5.530 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 99 24.542 -4.568 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 99 25.648 -3.463 3.518 1.00 0.00 H new ATOM 0 HG SER A 99 26.707 -5.396 2.794 1.00 0.00 H new ATOM 1476 N GLY A 100 25.500 -4.346 6.988 1.00 0.00 N ATOM 1477 CA GLY A 100 26.145 -3.656 8.090 1.00 0.00 C ATOM 1478 C GLY A 100 27.515 -4.223 8.407 1.00 0.00 C ATOM 1479 O GLY A 100 28.514 -3.819 7.812 1.00 0.00 O ATOM 0 H GLY A 100 25.488 -5.363 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.241 -2.598 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.514 -3.723 8.976 1.00 0.00 H new TER 1483 GLY A 100