USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=19 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 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -4.39! C(o=-4.4!,f=-4.9!) 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.209 USER MOD Single : A 36 SER OG : rot -159:sc= -1.43 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 45 SER OG : rot 34:sc= 0.434 USER MOD Single : A 55 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.029) USER MOD Single : A 56 GLN : amide:sc= -0.159 K(o=-0.16,f=-4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.88 K(o=-1.9,f=-8.5!) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.57 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.265 USER MOD Single : A 95 SER OG : rot 180:sc= 0 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 1.314 -8.808 42.893 1.00 0.00 N ATOM 2 CA GLY A 1 -0.069 -8.406 42.716 1.00 0.00 C ATOM 3 C GLY A 1 -0.198 -7.059 42.031 1.00 0.00 C ATOM 4 O GLY A 1 -0.613 -6.079 42.649 1.00 0.00 O ATOM 0 H1 GLY A 1 1.349 -9.734 43.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.778 -8.875 41.964 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.808 -8.103 43.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.591 -9.161 42.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.559 -8.364 43.689 1.00 0.00 H new ATOM 8 N SER A 2 0.160 -7.011 40.752 1.00 0.00 N ATOM 9 CA SER A 2 0.088 -5.773 39.984 1.00 0.00 C ATOM 10 C SER A 2 0.352 -6.035 38.505 1.00 0.00 C ATOM 11 O SER A 2 0.857 -7.094 38.131 1.00 0.00 O ATOM 12 CB SER A 2 1.095 -4.755 40.522 1.00 0.00 C ATOM 13 OG SER A 2 2.420 -5.114 40.170 1.00 0.00 O ATOM 0 H SER A 2 0.503 -7.815 40.226 1.00 0.00 H new ATOM 0 HA SER A 2 -0.918 -5.367 40.089 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.865 -3.766 40.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.008 -4.691 41.607 1.00 0.00 H new ATOM 0 HG SER A 2 3.045 -4.447 40.524 1.00 0.00 H new ATOM 19 N SER A 3 0.007 -5.063 37.667 1.00 0.00 N ATOM 20 CA SER A 3 0.203 -5.189 36.228 1.00 0.00 C ATOM 21 C SER A 3 1.648 -4.878 35.847 1.00 0.00 C ATOM 22 O SER A 3 2.112 -3.749 35.997 1.00 0.00 O ATOM 23 CB SER A 3 -0.746 -4.252 35.478 1.00 0.00 C ATOM 24 OG SER A 3 -2.051 -4.799 35.406 1.00 0.00 O ATOM 0 H SER A 3 -0.410 -4.179 37.960 1.00 0.00 H new ATOM 0 HA SER A 3 -0.016 -6.219 35.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.781 -3.286 35.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.367 -4.074 34.472 1.00 0.00 H new ATOM 0 HG SER A 3 -2.639 -4.181 34.924 1.00 0.00 H new ATOM 30 N GLY A 4 2.354 -5.891 35.353 1.00 0.00 N ATOM 31 CA GLY A 4 3.738 -5.707 34.958 1.00 0.00 C ATOM 32 C GLY A 4 4.394 -7.003 34.524 1.00 0.00 C ATOM 33 O GLY A 4 4.295 -8.018 35.213 1.00 0.00 O ATOM 0 H GLY A 4 1.992 -6.835 35.220 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.787 -4.987 34.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.297 -5.282 35.791 1.00 0.00 H new ATOM 37 N SER A 5 5.066 -6.969 33.377 1.00 0.00 N ATOM 38 CA SER A 5 5.736 -8.152 32.849 1.00 0.00 C ATOM 39 C SER A 5 6.876 -7.758 31.915 1.00 0.00 C ATOM 40 O SER A 5 7.079 -6.578 31.628 1.00 0.00 O ATOM 41 CB SER A 5 4.737 -9.041 32.106 1.00 0.00 C ATOM 42 OG SER A 5 5.169 -10.391 32.092 1.00 0.00 O ATOM 0 H SER A 5 5.161 -6.136 32.796 1.00 0.00 H new ATOM 0 HA SER A 5 6.152 -8.709 33.688 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.760 -8.973 32.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.617 -8.683 31.083 1.00 0.00 H new ATOM 0 HG SER A 5 4.513 -10.939 31.613 1.00 0.00 H new ATOM 48 N SER A 6 7.619 -8.755 31.445 1.00 0.00 N ATOM 49 CA SER A 6 8.741 -8.515 30.546 1.00 0.00 C ATOM 50 C SER A 6 8.699 -9.468 29.356 1.00 0.00 C ATOM 51 O SER A 6 8.483 -10.669 29.516 1.00 0.00 O ATOM 52 CB SER A 6 10.065 -8.675 31.296 1.00 0.00 C ATOM 53 OG SER A 6 10.202 -9.986 31.815 1.00 0.00 O ATOM 0 H SER A 6 7.464 -9.737 31.672 1.00 0.00 H new ATOM 0 HA SER A 6 8.663 -7.494 30.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.896 -8.458 30.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.115 -7.951 32.110 1.00 0.00 H new ATOM 0 HG SER A 6 11.057 -10.063 32.288 1.00 0.00 H new ATOM 59 N GLY A 7 8.907 -8.924 28.161 1.00 0.00 N ATOM 60 CA GLY A 7 8.889 -9.739 26.961 1.00 0.00 C ATOM 61 C GLY A 7 10.104 -9.508 26.084 1.00 0.00 C ATOM 62 O GLY A 7 10.902 -10.418 25.867 1.00 0.00 O ATOM 0 H GLY A 7 9.088 -7.933 28.003 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.842 -10.791 27.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.986 -9.520 26.391 1.00 0.00 H new ATOM 66 N GLU A 8 10.242 -8.286 25.578 1.00 0.00 N ATOM 67 CA GLU A 8 11.368 -7.940 24.718 1.00 0.00 C ATOM 68 C GLU A 8 11.665 -9.066 23.732 1.00 0.00 C ATOM 69 O GLU A 8 12.804 -9.515 23.611 1.00 0.00 O ATOM 70 CB GLU A 8 12.610 -7.643 25.560 1.00 0.00 C ATOM 71 CG GLU A 8 12.741 -6.183 25.959 1.00 0.00 C ATOM 72 CD GLU A 8 13.254 -5.313 24.827 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.615 -5.296 23.755 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.295 -4.649 25.016 1.00 0.00 O ATOM 0 H GLU A 8 9.590 -7.521 25.748 1.00 0.00 H new ATOM 0 HA GLU A 8 11.100 -7.047 24.153 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.583 -8.256 26.461 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.497 -7.939 25.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.770 -5.811 26.287 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.417 -6.102 26.810 1.00 0.00 H new ATOM 81 N GLY A 9 10.631 -9.518 23.028 1.00 0.00 N ATOM 82 CA GLY A 9 10.802 -10.588 22.063 1.00 0.00 C ATOM 83 C GLY A 9 11.477 -10.117 20.790 1.00 0.00 C ATOM 84 O GLY A 9 12.685 -10.284 20.622 1.00 0.00 O ATOM 0 H GLY A 9 9.679 -9.162 23.109 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.394 -11.386 22.511 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.828 -11.012 21.819 1.00 0.00 H new ATOM 88 N ASP A 10 10.696 -9.530 19.890 1.00 0.00 N ATOM 89 CA ASP A 10 11.226 -9.034 18.625 1.00 0.00 C ATOM 90 C ASP A 10 10.985 -7.535 18.485 1.00 0.00 C ATOM 91 O ASP A 10 9.899 -7.027 18.763 1.00 0.00 O ATOM 92 CB ASP A 10 10.585 -9.778 17.452 1.00 0.00 C ATOM 93 CG ASP A 10 11.087 -9.286 16.110 1.00 0.00 C ATOM 94 OD1 ASP A 10 12.174 -9.730 15.683 1.00 0.00 O ATOM 95 OD2 ASP A 10 10.393 -8.457 15.485 1.00 0.00 O ATOM 0 H ASP A 10 9.694 -9.386 20.013 1.00 0.00 H new ATOM 0 HA ASP A 10 12.301 -9.213 18.615 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.792 -10.844 17.545 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.503 -9.658 17.498 1.00 0.00 H new ATOM 100 N PRO A 11 12.022 -6.807 18.044 1.00 0.00 N ATOM 101 CA PRO A 11 11.948 -5.355 17.858 1.00 0.00 C ATOM 102 C PRO A 11 11.051 -4.966 16.687 1.00 0.00 C ATOM 103 O PRO A 11 10.467 -5.826 16.029 1.00 0.00 O ATOM 104 CB PRO A 11 13.399 -4.959 17.574 1.00 0.00 C ATOM 105 CG PRO A 11 14.024 -6.189 17.012 1.00 0.00 C ATOM 106 CD PRO A 11 13.347 -7.346 17.693 1.00 0.00 C ATOM 0 HA PRO A 11 11.517 -4.854 18.725 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.452 -4.130 16.868 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.907 -4.637 18.483 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.887 -6.238 15.932 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.098 -6.201 17.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.268 -8.210 17.033 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.896 -7.669 18.577 1.00 0.00 H new ATOM 114 N GLU A 12 10.948 -3.665 16.434 1.00 0.00 N ATOM 115 CA GLU A 12 10.121 -3.163 15.343 1.00 0.00 C ATOM 116 C GLU A 12 10.964 -2.389 14.333 1.00 0.00 C ATOM 117 O GLU A 12 11.393 -1.267 14.598 1.00 0.00 O ATOM 118 CB GLU A 12 9.007 -2.267 15.887 1.00 0.00 C ATOM 119 CG GLU A 12 9.519 -1.049 16.638 1.00 0.00 C ATOM 120 CD GLU A 12 8.476 -0.454 17.565 1.00 0.00 C ATOM 121 OE1 GLU A 12 7.367 -0.139 17.087 1.00 0.00 O ATOM 122 OE2 GLU A 12 8.770 -0.305 18.770 1.00 0.00 O ATOM 0 H GLU A 12 11.426 -2.940 16.969 1.00 0.00 H new ATOM 0 HA GLU A 12 9.674 -4.019 14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.381 -1.936 15.058 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.372 -2.853 16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.399 -1.328 17.218 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.837 -0.292 15.921 1.00 0.00 H new ATOM 129 N ASN A 13 11.196 -2.998 13.175 1.00 0.00 N ATOM 130 CA ASN A 13 11.989 -2.368 12.125 1.00 0.00 C ATOM 131 C ASN A 13 11.098 -1.573 11.175 1.00 0.00 C ATOM 132 O ASN A 13 11.409 -0.436 10.822 1.00 0.00 O ATOM 133 CB ASN A 13 12.772 -3.425 11.344 1.00 0.00 C ATOM 134 CG ASN A 13 13.666 -4.261 12.239 1.00 0.00 C ATOM 135 OD1 ASN A 13 14.064 -3.825 13.319 1.00 0.00 O ATOM 136 ND2 ASN A 13 13.986 -5.470 11.792 1.00 0.00 N ATOM 0 H ASN A 13 10.846 -3.927 12.940 1.00 0.00 H new ATOM 0 HA ASN A 13 12.692 -1.681 12.597 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.073 -4.078 10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.380 -2.935 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.585 -6.078 12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.633 -5.790 10.890 1.00 0.00 H new ATOM 143 N GLY A 14 9.989 -2.180 10.765 1.00 0.00 N ATOM 144 CA GLY A 14 9.070 -1.514 9.860 1.00 0.00 C ATOM 145 C GLY A 14 7.698 -1.313 10.472 1.00 0.00 C ATOM 146 O GLY A 14 7.368 -1.926 11.486 1.00 0.00 O ATOM 0 H GLY A 14 9.710 -3.121 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.483 -0.546 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.975 -2.101 8.947 1.00 0.00 H new ATOM 150 N GLU A 15 6.897 -0.450 9.854 1.00 0.00 N ATOM 151 CA GLU A 15 5.553 -0.169 10.346 1.00 0.00 C ATOM 152 C GLU A 15 4.580 0.033 9.188 1.00 0.00 C ATOM 153 O GLU A 15 4.960 0.511 8.119 1.00 0.00 O ATOM 154 CB GLU A 15 5.564 1.073 11.240 1.00 0.00 C ATOM 155 CG GLU A 15 4.178 1.528 11.666 1.00 0.00 C ATOM 156 CD GLU A 15 3.641 0.738 12.844 1.00 0.00 C ATOM 157 OE1 GLU A 15 3.889 1.152 13.997 1.00 0.00 O ATOM 158 OE2 GLU A 15 2.975 -0.292 12.615 1.00 0.00 O ATOM 0 H GLU A 15 7.155 0.066 9.013 1.00 0.00 H new ATOM 0 HA GLU A 15 5.221 -1.027 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.158 0.865 12.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.058 1.888 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.211 2.586 11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.493 1.429 10.824 1.00 0.00 H new ATOM 165 N LYS A 16 3.323 -0.336 9.408 1.00 0.00 N ATOM 166 CA LYS A 16 2.294 -0.197 8.385 1.00 0.00 C ATOM 167 C LYS A 16 1.727 1.220 8.373 1.00 0.00 C ATOM 168 O LYS A 16 0.999 1.616 9.284 1.00 0.00 O ATOM 169 CB LYS A 16 1.168 -1.206 8.624 1.00 0.00 C ATOM 170 CG LYS A 16 0.925 -1.509 10.092 1.00 0.00 C ATOM 171 CD LYS A 16 -0.477 -2.048 10.325 1.00 0.00 C ATOM 172 CE LYS A 16 -0.614 -2.665 11.708 1.00 0.00 C ATOM 173 NZ LYS A 16 -0.831 -1.631 12.758 1.00 0.00 N ATOM 0 H LYS A 16 2.992 -0.734 10.287 1.00 0.00 H new ATOM 0 HA LYS A 16 2.751 -0.395 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.248 -0.822 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.407 -2.134 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.658 -2.236 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.070 -0.603 10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.201 -1.242 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.711 -2.796 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.448 -3.367 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.284 -3.236 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.919 -2.092 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.023 -0.976 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.702 -1.102 12.550 1.00 0.00 H new ATOM 187 N LEU A 17 2.064 1.978 7.336 1.00 0.00 N ATOM 188 CA LEU A 17 1.588 3.350 7.204 1.00 0.00 C ATOM 189 C LEU A 17 0.566 3.466 6.078 1.00 0.00 C ATOM 190 O LEU A 17 0.647 2.753 5.078 1.00 0.00 O ATOM 191 CB LEU A 17 2.761 4.296 6.943 1.00 0.00 C ATOM 192 CG LEU A 17 3.951 4.168 7.895 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.243 4.548 7.189 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.741 5.033 9.130 1.00 0.00 C ATOM 0 H LEU A 17 2.665 1.665 6.574 1.00 0.00 H new ATOM 0 HA LEU A 17 1.104 3.631 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.116 4.131 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.393 5.321 6.990 1.00 0.00 H new ATOM 0 HG LEU A 17 4.028 3.128 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.079 4.451 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.400 3.887 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.178 5.579 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.597 4.930 9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.638 6.076 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.837 4.714 9.649 1.00 0.00 H new ATOM 206 N GLN A 18 -0.393 4.371 6.246 1.00 0.00 N ATOM 207 CA GLN A 18 -1.429 4.581 5.242 1.00 0.00 C ATOM 208 C GLN A 18 -1.075 5.752 4.331 1.00 0.00 C ATOM 209 O GLN A 18 -0.453 6.722 4.764 1.00 0.00 O ATOM 210 CB GLN A 18 -2.779 4.835 5.917 1.00 0.00 C ATOM 211 CG GLN A 18 -3.971 4.447 5.058 1.00 0.00 C ATOM 212 CD GLN A 18 -5.273 4.441 5.834 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.975 3.431 5.885 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.603 5.573 6.445 1.00 0.00 N ATOM 0 H GLN A 18 -0.474 4.970 7.068 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.498 3.679 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.819 4.277 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.855 5.892 6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.054 5.142 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.801 3.458 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.992 6.387 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.468 5.629 6.983 1.00 0.00 H new ATOM 223 N ILE A 19 -1.475 5.654 3.068 1.00 0.00 N ATOM 224 CA ILE A 19 -1.200 6.705 2.096 1.00 0.00 C ATOM 225 C ILE A 19 -2.420 6.979 1.223 1.00 0.00 C ATOM 226 O ILE A 19 -2.792 6.160 0.381 1.00 0.00 O ATOM 227 CB ILE A 19 -0.008 6.339 1.193 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.268 6.200 2.026 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.175 7.388 0.106 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.778 7.515 2.574 1.00 0.00 C ATOM 0 H ILE A 19 -1.991 4.858 2.694 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.953 7.603 2.663 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.214 5.381 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.078 5.519 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.045 5.745 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.022 7.115 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.728 7.443 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.362 8.359 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.684 7.341 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.000 8.192 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.018 7.961 3.215 1.00 0.00 H new ATOM 242 N THR A 20 -3.039 8.137 1.427 1.00 0.00 N ATOM 243 CA THR A 20 -4.216 8.521 0.658 1.00 0.00 C ATOM 244 C THR A 20 -3.846 8.863 -0.781 1.00 0.00 C ATOM 245 O THR A 20 -3.031 9.753 -1.026 1.00 0.00 O ATOM 246 CB THR A 20 -4.934 9.727 1.293 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.339 9.408 2.628 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.149 10.128 0.470 1.00 0.00 C ATOM 0 H THR A 20 -2.745 8.826 2.119 1.00 0.00 H new ATOM 0 HA THR A 20 -4.889 7.664 0.663 1.00 0.00 H new ATOM 0 HB THR A 20 -4.238 10.566 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.793 10.180 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.640 10.981 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.833 10.399 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.846 9.292 0.419 1.00 0.00 H new ATOM 256 N ILE A 21 -4.450 8.153 -1.727 1.00 0.00 N ATOM 257 CA ILE A 21 -4.185 8.384 -3.142 1.00 0.00 C ATOM 258 C ILE A 21 -5.481 8.584 -3.919 1.00 0.00 C ATOM 259 O ILE A 21 -6.428 7.811 -3.776 1.00 0.00 O ATOM 260 CB ILE A 21 -3.400 7.215 -3.766 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.268 6.777 -2.834 1.00 0.00 C ATOM 262 CG2 ILE A 21 -2.850 7.613 -5.127 1.00 0.00 C ATOM 263 CD1 ILE A 21 -1.401 5.681 -3.412 1.00 0.00 C ATOM 0 H ILE A 21 -5.126 7.413 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.583 9.290 -3.206 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.078 6.373 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.643 7.640 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.696 6.433 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.298 6.776 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.674 7.880 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.183 8.468 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.620 5.420 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.013 4.803 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.944 6.029 -4.339 1.00 0.00 H new ATOM 275 N ARG A 22 -5.516 9.626 -4.744 1.00 0.00 N ATOM 276 CA ARG A 22 -6.696 9.927 -5.545 1.00 0.00 C ATOM 277 C ARG A 22 -6.432 9.658 -7.024 1.00 0.00 C ATOM 278 O ARG A 22 -5.313 9.829 -7.506 1.00 0.00 O ATOM 279 CB ARG A 22 -7.114 11.386 -5.347 1.00 0.00 C ATOM 280 CG ARG A 22 -6.033 12.385 -5.725 1.00 0.00 C ATOM 281 CD ARG A 22 -6.610 13.775 -5.941 1.00 0.00 C ATOM 282 NE ARG A 22 -7.150 13.940 -7.288 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.394 14.050 -8.374 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.072 14.012 -8.273 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.959 14.197 -9.566 1.00 0.00 N ATOM 0 H ARG A 22 -4.741 10.276 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.505 9.276 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.005 11.584 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.389 11.538 -4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.279 12.421 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.531 12.053 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.397 13.958 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.834 14.521 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.163 13.973 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.633 13.898 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.494 14.097 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.975 14.226 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.377 14.281 -10.399 1.00 0.00 H new ATOM 299 N ARG A 23 -7.471 9.236 -7.737 1.00 0.00 N ATOM 300 CA ARG A 23 -7.351 8.942 -9.160 1.00 0.00 C ATOM 301 C ARG A 23 -6.834 10.156 -9.925 1.00 0.00 C ATOM 302 O ARG A 23 -7.519 11.173 -10.032 1.00 0.00 O ATOM 303 CB ARG A 23 -8.704 8.506 -9.728 1.00 0.00 C ATOM 304 CG ARG A 23 -8.599 7.768 -11.053 1.00 0.00 C ATOM 305 CD ARG A 23 -9.971 7.494 -11.648 1.00 0.00 C ATOM 306 NE ARG A 23 -9.941 6.393 -12.607 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.993 6.017 -13.327 1.00 0.00 C ATOM 308 NH1 ARG A 23 -12.150 6.651 -13.197 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.887 5.006 -14.179 1.00 0.00 N ATOM 0 H ARG A 23 -8.405 9.090 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.635 8.129 -9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.203 7.864 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.333 9.386 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.009 8.358 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.071 6.826 -10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.673 7.259 -10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.339 8.394 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.065 5.885 -12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.234 7.429 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.956 6.360 -13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.998 4.517 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.695 4.718 -14.731 1.00 0.00 H new ATOM 323 N GLY A 24 -5.620 10.043 -10.455 1.00 0.00 N ATOM 324 CA GLY A 24 -5.031 11.139 -11.203 1.00 0.00 C ATOM 325 C GLY A 24 -4.458 10.692 -12.533 1.00 0.00 C ATOM 326 O GLY A 24 -4.464 11.446 -13.505 1.00 0.00 O ATOM 0 H GLY A 24 -5.034 9.212 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.787 11.905 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.242 11.599 -10.607 1.00 0.00 H new ATOM 330 N LYS A 25 -3.960 9.461 -12.576 1.00 0.00 N ATOM 331 CA LYS A 25 -3.379 8.913 -13.796 1.00 0.00 C ATOM 332 C LYS A 25 -4.011 7.569 -14.144 1.00 0.00 C ATOM 333 O LYS A 25 -4.857 7.061 -13.407 1.00 0.00 O ATOM 334 CB LYS A 25 -1.866 8.751 -13.637 1.00 0.00 C ATOM 335 CG LYS A 25 -1.099 8.889 -14.941 1.00 0.00 C ATOM 336 CD LYS A 25 0.306 9.420 -14.708 1.00 0.00 C ATOM 337 CE LYS A 25 0.907 9.986 -15.985 1.00 0.00 C ATOM 338 NZ LYS A 25 0.521 11.409 -16.196 1.00 0.00 N ATOM 0 H LYS A 25 -3.947 8.824 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.580 9.611 -14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.502 9.496 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.657 7.773 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.045 7.920 -15.437 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.636 9.560 -15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.281 10.195 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.941 8.619 -14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.993 9.907 -15.941 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.578 9.390 -16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.950 11.758 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.514 11.482 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.857 11.982 -15.396 1.00 0.00 H new ATOM 352 N ASP A 26 -3.594 6.997 -15.268 1.00 0.00 N ATOM 353 CA ASP A 26 -4.118 5.710 -15.711 1.00 0.00 C ATOM 354 C ASP A 26 -3.749 4.605 -14.727 1.00 0.00 C ATOM 355 O ASP A 26 -2.830 3.824 -14.970 1.00 0.00 O ATOM 356 CB ASP A 26 -3.582 5.370 -17.103 1.00 0.00 C ATOM 357 CG ASP A 26 -3.985 6.395 -18.145 1.00 0.00 C ATOM 358 OD1 ASP A 26 -3.601 7.575 -17.996 1.00 0.00 O ATOM 359 OD2 ASP A 26 -4.683 6.018 -19.109 1.00 0.00 O ATOM 0 H ASP A 26 -2.895 7.404 -15.889 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.205 5.784 -15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.495 5.304 -17.064 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.951 4.389 -17.401 1.00 0.00 H new ATOM 364 N GLY A 27 -4.471 4.547 -13.612 1.00 0.00 N ATOM 365 CA GLY A 27 -4.204 3.535 -12.607 1.00 0.00 C ATOM 366 C GLY A 27 -3.784 4.134 -11.279 1.00 0.00 C ATOM 367 O GLY A 27 -2.760 3.751 -10.713 1.00 0.00 O ATOM 0 H GLY A 27 -5.236 5.183 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.097 2.927 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.420 2.869 -12.966 1.00 0.00 H new ATOM 371 N PHE A 28 -4.577 5.077 -10.780 1.00 0.00 N ATOM 372 CA PHE A 28 -4.281 5.732 -9.511 1.00 0.00 C ATOM 373 C PHE A 28 -2.812 6.140 -9.440 1.00 0.00 C ATOM 374 O PHE A 28 -2.234 6.231 -8.358 1.00 0.00 O ATOM 375 CB PHE A 28 -4.622 4.805 -8.343 1.00 0.00 C ATOM 376 CG PHE A 28 -6.096 4.692 -8.077 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.863 3.750 -8.742 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.714 5.530 -7.162 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.220 3.644 -8.500 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.070 5.428 -6.916 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.824 4.484 -7.586 1.00 0.00 C ATOM 0 H PHE A 28 -5.429 5.404 -11.235 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.893 6.631 -9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.221 3.812 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.126 5.169 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.396 3.090 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.130 6.270 -6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.807 2.905 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.540 6.086 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.884 4.403 -7.395 1.00 0.00 H new ATOM 391 N GLY A 29 -2.214 6.384 -10.602 1.00 0.00 N ATOM 392 CA GLY A 29 -0.819 6.779 -10.650 1.00 0.00 C ATOM 393 C GLY A 29 0.122 5.613 -10.419 1.00 0.00 C ATOM 394 O GLY A 29 1.082 5.423 -11.166 1.00 0.00 O ATOM 0 H GLY A 29 -2.671 6.315 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.605 7.228 -11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.635 7.545 -9.897 1.00 0.00 H new ATOM 398 N PHE A 30 -0.153 4.830 -9.381 1.00 0.00 N ATOM 399 CA PHE A 30 0.678 3.677 -9.052 1.00 0.00 C ATOM 400 C PHE A 30 0.026 2.383 -9.529 1.00 0.00 C ATOM 401 O PHE A 30 -1.196 2.236 -9.485 1.00 0.00 O ATOM 402 CB PHE A 30 0.923 3.612 -7.543 1.00 0.00 C ATOM 403 CG PHE A 30 -0.311 3.293 -6.749 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.201 4.293 -6.395 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.580 1.992 -6.356 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.337 4.002 -5.663 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.715 1.694 -5.625 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.595 2.701 -5.279 1.00 0.00 C ATOM 0 H PHE A 30 -0.944 4.973 -8.753 1.00 0.00 H new ATOM 0 HA PHE A 30 1.634 3.792 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.682 2.857 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.325 4.568 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.005 5.312 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.105 1.201 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.022 4.792 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.913 0.676 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.483 2.471 -4.709 1.00 0.00 H new ATOM 418 N THR A 31 0.850 1.444 -9.985 1.00 0.00 N ATOM 419 CA THR A 31 0.355 0.163 -10.472 1.00 0.00 C ATOM 420 C THR A 31 0.623 -0.949 -9.464 1.00 0.00 C ATOM 421 O THR A 31 1.711 -1.033 -8.893 1.00 0.00 O ATOM 422 CB THR A 31 1.001 -0.214 -11.818 1.00 0.00 C ATOM 423 OG1 THR A 31 1.158 0.954 -12.631 1.00 0.00 O ATOM 424 CG2 THR A 31 0.155 -1.241 -12.556 1.00 0.00 C ATOM 0 H THR A 31 1.864 1.547 -10.027 1.00 0.00 H new ATOM 0 HA THR A 31 -0.720 0.272 -10.611 1.00 0.00 H new ATOM 0 HB THR A 31 1.979 -0.650 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.571 0.706 -13.484 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.632 -1.492 -13.504 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.062 -2.141 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.835 -0.828 -12.746 1.00 0.00 H new ATOM 432 N ILE A 32 -0.375 -1.800 -9.250 1.00 0.00 N ATOM 433 CA ILE A 32 -0.245 -2.907 -8.311 1.00 0.00 C ATOM 434 C ILE A 32 -0.815 -4.195 -8.898 1.00 0.00 C ATOM 435 O ILE A 32 -1.978 -4.244 -9.300 1.00 0.00 O ATOM 436 CB ILE A 32 -0.958 -2.604 -6.980 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.369 -2.073 -7.242 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.153 -1.604 -6.164 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.362 -2.436 -6.159 1.00 0.00 C ATOM 0 H ILE A 32 -1.282 -1.744 -9.714 1.00 0.00 H new ATOM 0 HA ILE A 32 0.821 -3.036 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.038 -3.529 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.328 -0.988 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.724 -2.464 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.670 -1.400 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.833 -2.017 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.045 -0.677 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.341 -2.027 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.432 -3.521 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.030 -2.022 -5.207 1.00 0.00 H new ATOM 451 N CYS A 33 0.011 -5.234 -8.943 1.00 0.00 N ATOM 452 CA CYS A 33 -0.410 -6.523 -9.480 1.00 0.00 C ATOM 453 C CYS A 33 0.386 -7.661 -8.849 1.00 0.00 C ATOM 454 O CYS A 33 1.615 -7.682 -8.914 1.00 0.00 O ATOM 455 CB CYS A 33 -0.239 -6.546 -11.000 1.00 0.00 C ATOM 456 SG CYS A 33 -0.854 -8.053 -11.789 1.00 0.00 S ATOM 0 H CYS A 33 0.976 -5.209 -8.614 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.464 -6.663 -9.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.758 -5.688 -11.426 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.818 -6.430 -11.238 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.667 -7.978 -13.073 1.00 0.00 H new ATOM 462 N CYS A 34 -0.323 -8.604 -8.239 1.00 0.00 N ATOM 463 CA CYS A 34 0.317 -9.744 -7.593 1.00 0.00 C ATOM 464 C CYS A 34 -0.725 -10.719 -7.054 1.00 0.00 C ATOM 465 O CYS A 34 -1.927 -10.509 -7.213 1.00 0.00 O ATOM 466 CB CYS A 34 1.226 -9.271 -6.458 1.00 0.00 C ATOM 467 SG CYS A 34 2.660 -10.333 -6.169 1.00 0.00 S ATOM 0 H CYS A 34 -1.341 -8.602 -8.178 1.00 0.00 H new ATOM 0 HA CYS A 34 0.920 -10.261 -8.339 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.574 -8.262 -6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.641 -9.210 -5.540 1.00 0.00 H new ATOM 0 HG CYS A 34 3.368 -9.849 -5.192 1.00 0.00 H new ATOM 473 N ASP A 35 -0.255 -11.786 -6.417 1.00 0.00 N ATOM 474 CA ASP A 35 -1.146 -12.794 -5.854 1.00 0.00 C ATOM 475 C ASP A 35 -1.059 -12.806 -4.331 1.00 0.00 C ATOM 476 O ASP A 35 0.031 -12.796 -3.761 1.00 0.00 O ATOM 477 CB ASP A 35 -0.799 -14.177 -6.408 1.00 0.00 C ATOM 478 CG ASP A 35 0.385 -14.805 -5.700 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.345 -14.070 -5.385 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.354 -16.030 -5.462 1.00 0.00 O ATOM 0 H ASP A 35 0.738 -11.975 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.167 -12.542 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.665 -14.832 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.580 -14.094 -7.472 1.00 0.00 H new ATOM 485 N SER A 36 -2.217 -12.827 -3.678 1.00 0.00 N ATOM 486 CA SER A 36 -2.273 -12.835 -2.221 1.00 0.00 C ATOM 487 C SER A 36 -1.066 -13.562 -1.636 1.00 0.00 C ATOM 488 O SER A 36 -0.828 -14.740 -1.903 1.00 0.00 O ATOM 489 CB SER A 36 -3.565 -13.501 -1.743 1.00 0.00 C ATOM 490 OG SER A 36 -3.380 -14.126 -0.485 1.00 0.00 O ATOM 0 H SER A 36 -3.129 -12.839 -4.135 1.00 0.00 H new ATOM 0 HA SER A 36 -2.256 -11.802 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.357 -12.755 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.890 -14.240 -2.476 1.00 0.00 H new ATOM 0 HG SER A 36 -4.074 -14.805 -0.352 1.00 0.00 H new ATOM 496 N PRO A 37 -0.284 -12.843 -0.817 1.00 0.00 N ATOM 497 CA PRO A 37 -0.556 -11.440 -0.492 1.00 0.00 C ATOM 498 C PRO A 37 -0.328 -10.514 -1.682 1.00 0.00 C ATOM 499 O PRO A 37 0.501 -10.794 -2.548 1.00 0.00 O ATOM 500 CB PRO A 37 0.446 -11.133 0.624 1.00 0.00 C ATOM 501 CG PRO A 37 1.560 -12.098 0.408 1.00 0.00 C ATOM 502 CD PRO A 37 0.927 -13.345 -0.145 1.00 0.00 C ATOM 0 HA PRO A 37 -1.596 -11.283 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.798 -10.103 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.005 -11.263 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.297 -11.694 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.082 -12.307 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.590 -13.857 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.683 -14.056 0.644 1.00 0.00 H new ATOM 510 N VAL A 38 -1.068 -9.411 -1.718 1.00 0.00 N ATOM 511 CA VAL A 38 -0.945 -8.443 -2.801 1.00 0.00 C ATOM 512 C VAL A 38 0.278 -7.553 -2.607 1.00 0.00 C ATOM 513 O VAL A 38 0.594 -7.152 -1.486 1.00 0.00 O ATOM 514 CB VAL A 38 -2.200 -7.557 -2.907 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.023 -6.508 -3.995 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.432 -8.408 -3.172 1.00 0.00 C ATOM 0 H VAL A 38 -1.759 -9.165 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.833 -9.013 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.340 -7.041 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.920 -5.891 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.165 -5.879 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.857 -7.001 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.309 -7.765 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.304 -8.953 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.567 -9.117 -2.355 1.00 0.00 H new ATOM 526 N ARG A 39 0.960 -7.246 -3.705 1.00 0.00 N ATOM 527 CA ARG A 39 2.149 -6.403 -3.655 1.00 0.00 C ATOM 528 C ARG A 39 2.103 -5.334 -4.743 1.00 0.00 C ATOM 529 O ARG A 39 1.208 -5.331 -5.588 1.00 0.00 O ATOM 530 CB ARG A 39 3.410 -7.254 -3.814 1.00 0.00 C ATOM 531 CG ARG A 39 4.628 -6.674 -3.114 1.00 0.00 C ATOM 532 CD ARG A 39 5.678 -7.741 -2.847 1.00 0.00 C ATOM 533 NE ARG A 39 5.291 -8.628 -1.753 1.00 0.00 N ATOM 534 CZ ARG A 39 6.000 -9.686 -1.378 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.128 -9.989 -2.007 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.582 -10.445 -0.374 1.00 0.00 N ATOM 0 H ARG A 39 0.710 -7.568 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 39 2.173 -5.908 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.217 -8.252 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.631 -7.367 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.059 -5.883 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.324 -6.217 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.836 -8.328 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.628 -7.263 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 39 4.428 -8.423 -1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.452 -9.409 -2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.671 -10.802 -1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.715 -10.216 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.128 -11.257 -0.087 1.00 0.00 H new ATOM 550 N VAL A 40 3.074 -4.427 -4.715 1.00 0.00 N ATOM 551 CA VAL A 40 3.146 -3.353 -5.698 1.00 0.00 C ATOM 552 C VAL A 40 4.047 -3.736 -6.866 1.00 0.00 C ATOM 553 O VAL A 40 5.018 -4.473 -6.697 1.00 0.00 O ATOM 554 CB VAL A 40 3.668 -2.048 -5.068 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.537 -0.892 -6.048 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.925 -1.748 -3.774 1.00 0.00 C ATOM 0 H VAL A 40 3.822 -4.415 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 40 2.132 -3.191 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 40 4.725 -2.175 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.911 0.021 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.117 -1.108 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.489 -0.760 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.306 -0.823 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.861 -1.640 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.076 -2.566 -3.070 1.00 0.00 H new ATOM 566 N GLN A 41 3.719 -3.230 -8.051 1.00 0.00 N ATOM 567 CA GLN A 41 4.500 -3.520 -9.248 1.00 0.00 C ATOM 568 C GLN A 41 5.495 -2.400 -9.534 1.00 0.00 C ATOM 569 O GLN A 41 6.699 -2.635 -9.628 1.00 0.00 O ATOM 570 CB GLN A 41 3.576 -3.717 -10.450 1.00 0.00 C ATOM 571 CG GLN A 41 4.317 -3.880 -11.767 1.00 0.00 C ATOM 572 CD GLN A 41 4.843 -5.288 -11.971 1.00 0.00 C ATOM 573 OE1 GLN A 41 5.736 -5.739 -11.253 1.00 0.00 O ATOM 574 NE2 GLN A 41 4.290 -5.990 -12.952 1.00 0.00 N ATOM 0 H GLN A 41 2.918 -2.618 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 41 5.058 -4.440 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.956 -4.597 -10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.903 -2.863 -10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.649 -3.623 -12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.149 -3.177 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.553 -5.576 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.602 -6.943 -13.136 1.00 0.00 H new ATOM 583 N ALA A 42 4.982 -1.182 -9.671 1.00 0.00 N ATOM 584 CA ALA A 42 5.825 -0.024 -9.945 1.00 0.00 C ATOM 585 C ALA A 42 5.067 1.277 -9.704 1.00 0.00 C ATOM 586 O ALA A 42 3.901 1.406 -10.078 1.00 0.00 O ATOM 587 CB ALA A 42 6.347 -0.077 -11.373 1.00 0.00 C ATOM 0 H ALA A 42 3.987 -0.971 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 42 6.672 -0.052 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.975 0.794 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.934 -0.985 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.507 -0.078 -12.068 1.00 0.00 H new ATOM 593 N VAL A 43 5.736 2.239 -9.077 1.00 0.00 N ATOM 594 CA VAL A 43 5.125 3.530 -8.787 1.00 0.00 C ATOM 595 C VAL A 43 5.513 4.569 -9.833 1.00 0.00 C ATOM 596 O VAL A 43 6.672 4.651 -10.241 1.00 0.00 O ATOM 597 CB VAL A 43 5.533 4.044 -7.393 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.005 5.452 -7.167 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.036 3.098 -6.310 1.00 0.00 C ATOM 0 H VAL A 43 6.701 2.148 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 43 4.045 3.381 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 43 6.621 4.078 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.303 5.798 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.415 6.120 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.917 5.448 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.333 3.476 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.949 3.029 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.469 2.110 -6.463 1.00 0.00 H new ATOM 609 N ASP A 44 4.537 5.361 -10.262 1.00 0.00 N ATOM 610 CA ASP A 44 4.776 6.397 -11.260 1.00 0.00 C ATOM 611 C ASP A 44 5.456 7.610 -10.633 1.00 0.00 C ATOM 612 O ASP A 44 5.019 8.114 -9.599 1.00 0.00 O ATOM 613 CB ASP A 44 3.459 6.818 -11.915 1.00 0.00 C ATOM 614 CG ASP A 44 3.661 7.845 -13.012 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.231 7.486 -14.064 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.247 9.007 -12.819 1.00 0.00 O ATOM 0 H ASP A 44 3.573 5.306 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 44 5.438 5.986 -12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.966 5.939 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.793 7.228 -11.155 1.00 0.00 H new ATOM 621 N SER A 45 6.530 8.072 -11.265 1.00 0.00 N ATOM 622 CA SER A 45 7.274 9.223 -10.766 1.00 0.00 C ATOM 623 C SER A 45 6.569 10.526 -11.131 1.00 0.00 C ATOM 624 O SER A 45 6.384 10.837 -12.307 1.00 0.00 O ATOM 625 CB SER A 45 8.695 9.223 -11.333 1.00 0.00 C ATOM 626 OG SER A 45 8.679 9.255 -12.750 1.00 0.00 O ATOM 0 H SER A 45 6.904 7.667 -12.123 1.00 0.00 H new ATOM 0 HA SER A 45 7.323 9.149 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.242 10.086 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.226 8.334 -10.992 1.00 0.00 H new ATOM 0 HG SER A 45 7.915 9.786 -13.057 1.00 0.00 H new ATOM 632 N GLY A 46 6.177 11.285 -10.112 1.00 0.00 N ATOM 633 CA GLY A 46 5.497 12.545 -10.345 1.00 0.00 C ATOM 634 C GLY A 46 3.995 12.380 -10.462 1.00 0.00 C ATOM 635 O GLY A 46 3.333 13.140 -11.168 1.00 0.00 O ATOM 0 H GLY A 46 6.318 11.049 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.721 13.232 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.882 12.999 -11.258 1.00 0.00 H new ATOM 639 N GLY A 47 3.455 11.382 -9.768 1.00 0.00 N ATOM 640 CA GLY A 47 2.025 11.137 -9.813 1.00 0.00 C ATOM 641 C GLY A 47 1.362 11.324 -8.463 1.00 0.00 C ATOM 642 O GLY A 47 2.001 11.704 -7.481 1.00 0.00 O ATOM 0 H GLY A 47 3.982 10.740 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.567 11.812 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.844 10.121 -10.165 1.00 0.00 H new ATOM 646 N PRO A 48 0.050 11.055 -8.401 1.00 0.00 N ATOM 647 CA PRO A 48 -0.729 11.190 -7.166 1.00 0.00 C ATOM 648 C PRO A 48 -0.364 10.131 -6.132 1.00 0.00 C ATOM 649 O PRO A 48 -0.883 10.134 -5.016 1.00 0.00 O ATOM 650 CB PRO A 48 -2.174 11.003 -7.636 1.00 0.00 C ATOM 651 CG PRO A 48 -2.066 10.187 -8.878 1.00 0.00 C ATOM 652 CD PRO A 48 -0.775 10.598 -9.532 1.00 0.00 C ATOM 0 HA PRO A 48 -0.547 12.144 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.774 10.496 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.654 11.962 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.064 9.122 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.913 10.368 -9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.309 9.766 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.930 11.392 -10.263 1.00 0.00 H new ATOM 660 N ALA A 49 0.533 9.225 -6.510 1.00 0.00 N ATOM 661 CA ALA A 49 0.969 8.162 -5.614 1.00 0.00 C ATOM 662 C ALA A 49 2.183 8.594 -4.799 1.00 0.00 C ATOM 663 O ALA A 49 2.134 8.635 -3.570 1.00 0.00 O ATOM 664 CB ALA A 49 1.284 6.901 -6.405 1.00 0.00 C ATOM 0 H ALA A 49 0.971 9.207 -7.431 1.00 0.00 H new ATOM 0 HA ALA A 49 0.156 7.949 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.608 6.115 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.391 6.573 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.078 7.110 -7.122 1.00 0.00 H new ATOM 670 N GLU A 50 3.271 8.916 -5.491 1.00 0.00 N ATOM 671 CA GLU A 50 4.498 9.344 -4.830 1.00 0.00 C ATOM 672 C GLU A 50 4.264 10.615 -4.019 1.00 0.00 C ATOM 673 O GLU A 50 4.672 10.709 -2.861 1.00 0.00 O ATOM 674 CB GLU A 50 5.604 9.580 -5.860 1.00 0.00 C ATOM 675 CG GLU A 50 7.003 9.332 -5.320 1.00 0.00 C ATOM 676 CD GLU A 50 7.628 10.579 -4.725 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.623 11.626 -5.406 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.121 10.508 -3.581 1.00 0.00 O ATOM 0 H GLU A 50 3.328 8.889 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 50 4.809 8.551 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.434 8.929 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.540 10.607 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.962 8.552 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.638 8.960 -6.124 1.00 0.00 H new ATOM 685 N ARG A 51 3.605 11.590 -4.635 1.00 0.00 N ATOM 686 CA ARG A 51 3.318 12.857 -3.972 1.00 0.00 C ATOM 687 C ARG A 51 2.699 12.622 -2.598 1.00 0.00 C ATOM 688 O ARG A 51 2.765 13.483 -1.721 1.00 0.00 O ATOM 689 CB ARG A 51 2.377 13.704 -4.830 1.00 0.00 C ATOM 690 CG ARG A 51 0.917 13.300 -4.714 1.00 0.00 C ATOM 691 CD ARG A 51 0.006 14.291 -5.421 1.00 0.00 C ATOM 692 NE ARG A 51 -0.243 15.480 -4.610 1.00 0.00 N ATOM 693 CZ ARG A 51 0.518 16.568 -4.649 1.00 0.00 C ATOM 694 NH1 ARG A 51 1.570 16.617 -5.455 1.00 0.00 N ATOM 695 NH2 ARG A 51 0.227 17.611 -3.881 1.00 0.00 N ATOM 0 H ARG A 51 3.259 11.527 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 51 4.259 13.392 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.480 14.750 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.684 13.629 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.778 12.307 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.639 13.235 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.457 14.586 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.942 13.808 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.045 15.475 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.797 15.818 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.153 17.454 -5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.582 17.577 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.812 18.446 -3.912 1.00 0.00 H new ATOM 709 N ALA A 52 2.096 11.452 -2.418 1.00 0.00 N ATOM 710 CA ALA A 52 1.465 11.104 -1.151 1.00 0.00 C ATOM 711 C ALA A 52 2.441 10.373 -0.235 1.00 0.00 C ATOM 712 O ALA A 52 2.371 10.496 0.988 1.00 0.00 O ATOM 713 CB ALA A 52 0.228 10.252 -1.393 1.00 0.00 C ATOM 0 H ALA A 52 2.031 10.728 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 52 1.165 12.028 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.233 10.000 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.483 10.808 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.513 9.336 -1.912 1.00 0.00 H new ATOM 719 N GLY A 53 3.352 9.612 -0.834 1.00 0.00 N ATOM 720 CA GLY A 53 4.329 8.872 -0.056 1.00 0.00 C ATOM 721 C GLY A 53 4.219 7.374 -0.262 1.00 0.00 C ATOM 722 O GLY A 53 4.298 6.602 0.694 1.00 0.00 O ATOM 0 H GLY A 53 3.431 9.495 -1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.332 9.201 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.196 9.101 1.001 1.00 0.00 H new ATOM 726 N LEU A 54 4.036 6.962 -1.511 1.00 0.00 N ATOM 727 CA LEU A 54 3.913 5.546 -1.840 1.00 0.00 C ATOM 728 C LEU A 54 5.221 5.004 -2.407 1.00 0.00 C ATOM 729 O LEU A 54 5.868 5.653 -3.229 1.00 0.00 O ATOM 730 CB LEU A 54 2.780 5.331 -2.844 1.00 0.00 C ATOM 731 CG LEU A 54 2.189 3.922 -2.898 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.933 3.903 -3.755 1.00 0.00 C ATOM 733 CD2 LEU A 54 3.216 2.934 -3.431 1.00 0.00 C ATOM 0 H LEU A 54 3.969 7.588 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 54 3.683 5.004 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.978 6.031 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.148 5.587 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 54 1.918 3.623 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.526 2.892 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.193 4.581 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.179 4.222 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.779 1.936 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.518 3.230 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.088 2.927 -2.777 1.00 0.00 H new ATOM 745 N GLN A 55 5.602 3.810 -1.965 1.00 0.00 N ATOM 746 CA GLN A 55 6.832 3.180 -2.431 1.00 0.00 C ATOM 747 C GLN A 55 6.540 1.836 -3.089 1.00 0.00 C ATOM 748 O GLN A 55 5.811 1.011 -2.539 1.00 0.00 O ATOM 749 CB GLN A 55 7.805 2.990 -1.267 1.00 0.00 C ATOM 750 CG GLN A 55 9.233 2.710 -1.707 1.00 0.00 C ATOM 751 CD GLN A 55 10.194 2.607 -0.539 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.806 1.562 -0.313 1.00 0.00 O ATOM 753 NE2 GLN A 55 10.334 3.695 0.211 1.00 0.00 N ATOM 0 H GLN A 55 5.077 3.260 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 55 7.287 3.836 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.794 3.885 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.457 2.166 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.258 1.781 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.565 3.503 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.807 4.540 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.968 3.686 1.010 1.00 0.00 H new ATOM 762 N GLN A 56 7.113 1.623 -4.270 1.00 0.00 N ATOM 763 CA GLN A 56 6.912 0.379 -5.003 1.00 0.00 C ATOM 764 C GLN A 56 7.495 -0.804 -4.237 1.00 0.00 C ATOM 765 O GLN A 56 8.236 -0.626 -3.269 1.00 0.00 O ATOM 766 CB GLN A 56 7.552 0.470 -6.389 1.00 0.00 C ATOM 767 CG GLN A 56 9.064 0.630 -6.351 1.00 0.00 C ATOM 768 CD GLN A 56 9.734 0.138 -7.619 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.646 -0.688 -7.572 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.285 0.644 -8.761 1.00 0.00 N ATOM 0 H GLN A 56 7.720 2.296 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 56 5.839 0.222 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.304 -0.428 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.119 1.314 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.311 1.681 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.462 0.081 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.527 1.326 -8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.698 0.350 -9.646 1.00 0.00 H new ATOM 779 N LEU A 57 7.156 -2.011 -4.676 1.00 0.00 N ATOM 780 CA LEU A 57 7.646 -3.225 -4.031 1.00 0.00 C ATOM 781 C LEU A 57 7.171 -3.303 -2.584 1.00 0.00 C ATOM 782 O LEU A 57 7.931 -3.676 -1.690 1.00 0.00 O ATOM 783 CB LEU A 57 9.174 -3.271 -4.082 1.00 0.00 C ATOM 784 CG LEU A 57 9.812 -2.942 -5.432 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.296 -2.654 -5.266 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.595 -4.082 -6.417 1.00 0.00 C ATOM 0 H LEU A 57 6.544 -2.176 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 57 7.244 -4.082 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.563 -2.574 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.497 -4.268 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 57 9.332 -2.048 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.733 -2.422 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.429 -1.804 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.792 -3.529 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.056 -3.830 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.047 -4.993 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.526 -4.240 -6.560 1.00 0.00 H new ATOM 798 N ASP A 58 5.910 -2.950 -2.361 1.00 0.00 N ATOM 799 CA ASP A 58 5.332 -2.983 -1.022 1.00 0.00 C ATOM 800 C ASP A 58 4.149 -3.944 -0.965 1.00 0.00 C ATOM 801 O ASP A 58 3.500 -4.209 -1.978 1.00 0.00 O ATOM 802 CB ASP A 58 4.888 -1.581 -0.601 1.00 0.00 C ATOM 803 CG ASP A 58 4.954 -1.380 0.900 1.00 0.00 C ATOM 804 OD1 ASP A 58 4.548 -2.300 1.641 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.413 -0.303 1.334 1.00 0.00 O ATOM 0 H ASP A 58 5.268 -2.638 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 58 6.097 -3.336 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.519 -0.840 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.868 -1.408 -0.943 1.00 0.00 H new ATOM 810 N THR A 59 3.872 -4.464 0.227 1.00 0.00 N ATOM 811 CA THR A 59 2.769 -5.397 0.416 1.00 0.00 C ATOM 812 C THR A 59 1.538 -4.688 0.970 1.00 0.00 C ATOM 813 O THR A 59 1.639 -3.871 1.885 1.00 0.00 O ATOM 814 CB THR A 59 3.159 -6.543 1.369 1.00 0.00 C ATOM 815 OG1 THR A 59 4.327 -7.211 0.879 1.00 0.00 O ATOM 816 CG2 THR A 59 2.020 -7.541 1.511 1.00 0.00 C ATOM 0 H THR A 59 4.397 -4.254 1.076 1.00 0.00 H new ATOM 0 HA THR A 59 2.536 -5.813 -0.564 1.00 0.00 H new ATOM 0 HB THR A 59 3.370 -6.115 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.570 -7.937 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.319 -8.341 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.141 -7.036 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.782 -7.963 0.535 1.00 0.00 H new ATOM 824 N VAL A 60 0.376 -5.007 0.410 1.00 0.00 N ATOM 825 CA VAL A 60 -0.876 -4.401 0.849 1.00 0.00 C ATOM 826 C VAL A 60 -1.462 -5.153 2.039 1.00 0.00 C ATOM 827 O VAL A 60 -1.824 -6.325 1.930 1.00 0.00 O ATOM 828 CB VAL A 60 -1.915 -4.372 -0.287 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.171 -3.637 0.156 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.323 -3.729 -1.533 1.00 0.00 C ATOM 0 H VAL A 60 0.275 -5.681 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.645 -3.378 1.146 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.190 -5.398 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.894 -3.627 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.604 -4.144 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.916 -2.613 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.071 -3.717 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.018 -2.707 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.456 -4.302 -1.861 1.00 0.00 H new ATOM 840 N LEU A 61 -1.553 -4.471 3.176 1.00 0.00 N ATOM 841 CA LEU A 61 -2.097 -5.073 4.388 1.00 0.00 C ATOM 842 C LEU A 61 -3.619 -4.981 4.407 1.00 0.00 C ATOM 843 O LEU A 61 -4.310 -5.995 4.505 1.00 0.00 O ATOM 844 CB LEU A 61 -1.517 -4.387 5.626 1.00 0.00 C ATOM 845 CG LEU A 61 -0.013 -4.554 5.844 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.321 -4.496 7.327 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.472 -5.862 5.236 1.00 0.00 C ATOM 0 H LEU A 61 -1.257 -3.501 3.284 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.816 -6.126 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.739 -3.322 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.036 -4.769 6.505 1.00 0.00 H new ATOM 0 HG LEU A 61 0.501 -3.732 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.396 -4.617 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.010 -3.533 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.203 -5.296 7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.545 -5.964 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.048 -6.697 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.268 -5.863 4.165 1.00 0.00 H new ATOM 859 N GLN A 62 -4.134 -3.760 4.310 1.00 0.00 N ATOM 860 CA GLN A 62 -5.575 -3.536 4.314 1.00 0.00 C ATOM 861 C GLN A 62 -5.938 -2.311 3.481 1.00 0.00 C ATOM 862 O GLN A 62 -5.176 -1.346 3.413 1.00 0.00 O ATOM 863 CB GLN A 62 -6.081 -3.361 5.747 1.00 0.00 C ATOM 864 CG GLN A 62 -5.474 -2.167 6.465 1.00 0.00 C ATOM 865 CD GLN A 62 -5.714 -2.201 7.962 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.871 -1.769 8.748 1.00 0.00 O ATOM 867 NE2 GLN A 62 -6.869 -2.718 8.364 1.00 0.00 N ATOM 0 H GLN A 62 -3.575 -2.911 4.228 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.054 -4.409 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.165 -3.251 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.861 -4.266 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.401 -2.140 6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.894 -1.249 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.539 -3.065 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.086 -2.769 9.359 1.00 0.00 H new ATOM 876 N LEU A 63 -7.106 -2.357 2.850 1.00 0.00 N ATOM 877 CA LEU A 63 -7.571 -1.251 2.020 1.00 0.00 C ATOM 878 C LEU A 63 -8.970 -0.808 2.437 1.00 0.00 C ATOM 879 O LEU A 63 -9.871 -1.631 2.594 1.00 0.00 O ATOM 880 CB LEU A 63 -7.570 -1.657 0.546 1.00 0.00 C ATOM 881 CG LEU A 63 -8.523 -0.882 -0.365 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.959 -0.793 -1.775 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.897 -1.534 -0.379 1.00 0.00 C ATOM 0 H LEU A 63 -7.748 -3.148 2.897 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.888 -0.413 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.557 -1.543 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.819 -2.716 0.482 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.627 0.129 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.651 -0.238 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.998 -0.280 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.824 -1.797 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.561 -0.969 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.811 -2.557 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.305 -1.545 0.632 1.00 0.00 H new ATOM 895 N ASN A 64 -9.145 0.498 2.611 1.00 0.00 N ATOM 896 CA ASN A 64 -10.435 1.050 3.008 1.00 0.00 C ATOM 897 C ASN A 64 -10.896 0.456 4.336 1.00 0.00 C ATOM 898 O ASN A 64 -12.094 0.341 4.592 1.00 0.00 O ATOM 899 CB ASN A 64 -11.483 0.781 1.925 1.00 0.00 C ATOM 900 CG ASN A 64 -11.392 1.767 0.777 1.00 0.00 C ATOM 901 OD1 ASN A 64 -10.183 2.240 0.497 1.00 0.00 O flip ATOM 902 ND2 ASN A 64 -12.398 2.099 0.148 1.00 0.00 N flip ATOM 0 H ASN A 64 -8.410 1.193 2.483 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.319 2.127 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.355 -0.231 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.479 0.831 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.307 1.710 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.322 2.763 -0.623 1.00 0.00 H new ATOM 909 N GLU A 65 -9.936 0.081 5.175 1.00 0.00 N ATOM 910 CA GLU A 65 -10.244 -0.501 6.476 1.00 0.00 C ATOM 911 C GLU A 65 -10.753 -1.931 6.325 1.00 0.00 C ATOM 912 O GLU A 65 -11.636 -2.368 7.064 1.00 0.00 O ATOM 913 CB GLU A 65 -11.287 0.349 7.206 1.00 0.00 C ATOM 914 CG GLU A 65 -11.071 1.845 7.048 1.00 0.00 C ATOM 915 CD GLU A 65 -12.362 2.634 7.149 1.00 0.00 C ATOM 916 OE1 GLU A 65 -13.276 2.384 6.336 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.458 3.502 8.042 1.00 0.00 O ATOM 0 H GLU A 65 -8.939 0.170 4.977 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.326 -0.520 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.278 0.092 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.270 0.098 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.377 2.191 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.604 2.041 6.083 1.00 0.00 H new ATOM 924 N ARG A 66 -10.190 -2.655 5.363 1.00 0.00 N ATOM 925 CA ARG A 66 -10.587 -4.035 5.114 1.00 0.00 C ATOM 926 C ARG A 66 -9.364 -4.935 4.967 1.00 0.00 C ATOM 927 O ARG A 66 -8.345 -4.551 4.393 1.00 0.00 O ATOM 928 CB ARG A 66 -11.450 -4.120 3.854 1.00 0.00 C ATOM 929 CG ARG A 66 -10.664 -4.463 2.599 1.00 0.00 C ATOM 930 CD ARG A 66 -11.509 -4.288 1.347 1.00 0.00 C ATOM 931 NE ARG A 66 -12.851 -4.840 1.511 1.00 0.00 N ATOM 932 CZ ARG A 66 -13.883 -4.139 1.967 1.00 0.00 C ATOM 933 NH1 ARG A 66 -13.727 -2.866 2.302 1.00 0.00 N ATOM 934 NH2 ARG A 66 -15.074 -4.711 2.088 1.00 0.00 N ATOM 0 H ARG A 66 -9.458 -2.308 4.743 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.169 -4.379 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.224 -4.872 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.957 -3.166 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.782 -3.826 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.311 -5.492 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.580 -3.228 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.016 -4.776 0.506 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.004 -5.817 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.813 -2.423 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.521 -2.330 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.198 -5.690 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.866 -4.172 2.438 1.00 0.00 H new ATOM 948 N PRO A 67 -9.465 -6.163 5.499 1.00 0.00 N ATOM 949 CA PRO A 67 -8.376 -7.143 5.440 1.00 0.00 C ATOM 950 C PRO A 67 -8.144 -7.667 4.027 1.00 0.00 C ATOM 951 O PRO A 67 -8.926 -8.467 3.514 1.00 0.00 O ATOM 952 CB PRO A 67 -8.863 -8.270 6.354 1.00 0.00 C ATOM 953 CG PRO A 67 -10.348 -8.155 6.338 1.00 0.00 C ATOM 954 CD PRO A 67 -10.650 -6.689 6.197 1.00 0.00 C ATOM 0 HA PRO A 67 -7.422 -6.711 5.744 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.537 -9.244 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.468 -8.159 7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.774 -8.722 5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.780 -8.556 7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.562 -6.520 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.790 -6.212 7.167 1.00 0.00 H new ATOM 962 N VAL A 68 -7.062 -7.211 3.402 1.00 0.00 N ATOM 963 CA VAL A 68 -6.726 -7.635 2.048 1.00 0.00 C ATOM 964 C VAL A 68 -5.336 -8.259 1.997 1.00 0.00 C ATOM 965 O VAL A 68 -4.695 -8.285 0.947 1.00 0.00 O ATOM 966 CB VAL A 68 -6.783 -6.456 1.060 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.049 -5.639 1.275 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.546 -5.582 1.200 1.00 0.00 C ATOM 0 H VAL A 68 -6.404 -6.548 3.812 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.467 -8.379 1.757 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.804 -6.856 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.072 -4.810 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.922 -6.273 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.061 -5.248 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.604 -4.754 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.491 -5.190 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.656 -6.175 0.991 1.00 0.00 H new ATOM 978 N GLU A 69 -4.877 -8.763 3.139 1.00 0.00 N ATOM 979 CA GLU A 69 -3.562 -9.387 3.224 1.00 0.00 C ATOM 980 C GLU A 69 -3.530 -10.697 2.441 1.00 0.00 C ATOM 981 O GLU A 69 -2.484 -11.107 1.937 1.00 0.00 O ATOM 982 CB GLU A 69 -3.188 -9.644 4.685 1.00 0.00 C ATOM 983 CG GLU A 69 -1.693 -9.587 4.950 1.00 0.00 C ATOM 984 CD GLU A 69 -1.277 -10.442 6.131 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.753 -11.593 6.228 1.00 0.00 O ATOM 986 OE2 GLU A 69 -0.474 -9.961 6.958 1.00 0.00 O ATOM 0 H GLU A 69 -5.396 -8.751 4.017 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.835 -8.704 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.688 -8.908 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.564 -10.624 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.157 -9.918 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.399 -8.553 5.133 1.00 0.00 H new ATOM 993 N HIS A 70 -4.684 -11.350 2.345 1.00 0.00 N ATOM 994 CA HIS A 70 -4.789 -12.614 1.625 1.00 0.00 C ATOM 995 C HIS A 70 -5.578 -12.438 0.330 1.00 0.00 C ATOM 996 O HIS A 70 -5.964 -13.415 -0.310 1.00 0.00 O ATOM 997 CB HIS A 70 -5.458 -13.672 2.503 1.00 0.00 C ATOM 998 CG HIS A 70 -4.577 -14.182 3.602 1.00 0.00 C ATOM 999 ND1 HIS A 70 -4.985 -15.135 4.511 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -3.304 -13.867 3.934 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -4.000 -15.383 5.356 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -2.968 -14.627 5.027 1.00 0.00 N ATOM 0 H HIS A 70 -5.559 -11.025 2.756 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.781 -12.945 1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.363 -13.250 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.766 -14.510 1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.670 -13.151 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.033 -16.085 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.068 -14.611 5.507 1.00 0.00 H new ATOM 1011 N TRP A 71 -5.813 -11.186 -0.047 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.556 -10.882 -1.264 1.00 0.00 C ATOM 1013 C TRP A 71 -5.646 -10.935 -2.486 1.00 0.00 C ATOM 1014 O TRP A 71 -4.443 -10.690 -2.387 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.208 -9.503 -1.158 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.495 -9.511 -0.390 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.811 -10.311 0.672 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.639 -8.683 -0.625 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.082 -10.030 1.110 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.611 -9.034 0.332 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.936 -7.677 -1.549 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.857 -8.415 0.389 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.173 -7.065 -1.492 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.121 -7.434 -0.528 1.00 0.00 C ATOM 0 H TRP A 71 -5.500 -10.366 0.472 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.334 -11.636 -1.381 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.511 -8.816 -0.678 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.394 -9.119 -2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.157 -11.055 1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.555 -10.489 1.888 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.211 -7.384 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.589 -8.699 1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.414 -6.288 -2.203 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.078 -6.935 -0.508 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.225 -11.255 -3.638 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.466 -11.339 -4.880 1.00 0.00 C ATOM 1037 C LYS A 72 -5.643 -10.072 -5.711 1.00 0.00 C ATOM 1038 O LYS A 72 -6.297 -9.122 -5.280 1.00 0.00 O ATOM 1039 CB LYS A 72 -5.908 -12.559 -5.690 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.701 -13.878 -4.965 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.565 -15.035 -5.940 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.919 -15.481 -6.470 1.00 0.00 C ATOM 1043 NZ LYS A 72 -6.793 -16.599 -7.446 1.00 0.00 N ATOM 0 H LYS A 72 -7.219 -11.461 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.411 -11.442 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.963 -12.454 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.356 -12.580 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.807 -13.817 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.541 -14.062 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.928 -14.737 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.073 -15.873 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.549 -15.795 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.418 -14.637 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.738 -16.873 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.213 -16.292 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.340 -17.413 -6.984 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.058 -10.067 -6.904 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.151 -8.917 -7.796 1.00 0.00 C ATOM 1059 C CYS A 73 -6.564 -8.773 -8.352 1.00 0.00 C ATOM 1060 O CYS A 73 -7.108 -7.671 -8.418 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.150 -9.052 -8.944 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.462 -10.462 -10.033 1.00 0.00 S ATOM 0 H CYS A 73 -4.515 -10.846 -7.276 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.913 -8.023 -7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.168 -8.138 -9.537 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.147 -9.143 -8.528 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.565 -10.491 -10.974 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.153 -9.896 -8.753 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.503 -9.896 -9.304 1.00 0.00 C ATOM 1070 C VAL A 74 -9.544 -9.686 -8.210 1.00 0.00 C ATOM 1071 O VAL A 74 -10.705 -9.393 -8.493 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.808 -11.213 -10.042 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -9.030 -12.343 -9.048 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -10.016 -11.046 -10.951 1.00 0.00 C ATOM 0 H VAL A 74 -6.716 -10.817 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.555 -9.070 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.949 -11.470 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.244 -13.265 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.133 -12.477 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.872 -12.098 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.217 -11.986 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.884 -10.765 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.813 -10.267 -11.686 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.119 -9.839 -6.960 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.015 -9.666 -5.822 1.00 0.00 C ATOM 1086 C GLU A 75 -9.842 -8.285 -5.198 1.00 0.00 C ATOM 1087 O GLU A 75 -10.741 -7.777 -4.526 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.757 -10.749 -4.772 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.398 -12.085 -5.105 1.00 0.00 C ATOM 1090 CD GLU A 75 -11.895 -12.091 -4.859 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.303 -12.137 -3.680 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.658 -12.049 -5.847 1.00 0.00 O ATOM 0 H GLU A 75 -8.161 -10.082 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.040 -9.756 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.681 -10.889 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.133 -10.406 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.204 -12.326 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.932 -12.867 -4.506 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.680 -7.681 -5.424 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.388 -6.358 -4.883 1.00 0.00 C ATOM 1101 C LEU A 76 -8.815 -5.265 -5.858 1.00 0.00 C ATOM 1102 O LEU A 76 -9.646 -4.418 -5.530 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.894 -6.229 -4.578 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.474 -4.986 -3.792 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.575 -4.565 -2.832 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.177 -5.244 -3.040 1.00 0.00 C ATOM 0 H LEU A 76 -7.925 -8.086 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.954 -6.237 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.580 -7.111 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.349 -6.239 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.305 -4.173 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.259 -3.679 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.481 -4.338 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.776 -5.375 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.893 -4.349 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.318 -6.071 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.389 -5.497 -3.750 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.243 -5.292 -7.057 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.568 -4.306 -8.081 1.00 0.00 C ATOM 1120 C ALA A 77 -10.054 -3.965 -8.062 1.00 0.00 C ATOM 1121 O ALA A 77 -10.435 -2.798 -8.155 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.159 -4.817 -9.454 1.00 0.00 C ATOM 0 H ALA A 77 -7.552 -5.986 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.010 -3.395 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.407 -4.071 -10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.085 -5.003 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.691 -5.743 -9.671 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.891 -4.991 -7.942 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.336 -4.800 -7.912 1.00 0.00 C ATOM 1130 C HIS A 78 -12.721 -3.730 -6.895 1.00 0.00 C ATOM 1131 O HIS A 78 -13.510 -2.834 -7.192 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.039 -6.116 -7.576 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.526 -5.985 -7.448 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.363 -5.822 -8.531 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.324 -5.995 -6.355 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.612 -5.736 -8.110 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.616 -5.839 -6.793 1.00 0.00 N ATOM 0 H HIS A 78 -10.593 -5.963 -7.864 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.655 -4.469 -8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.812 -6.848 -8.351 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.635 -6.506 -6.642 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.004 -6.105 -5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.482 -5.604 -8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.444 -5.808 -6.198 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.159 -3.831 -5.694 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.446 -2.873 -4.634 1.00 0.00 C ATOM 1148 C GLU A 79 -11.927 -1.485 -5.000 1.00 0.00 C ATOM 1149 O GLU A 79 -12.670 -0.503 -4.962 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.818 -3.333 -3.316 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.729 -4.222 -2.486 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.006 -3.521 -2.068 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -13.917 -2.494 -1.363 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -15.096 -3.999 -2.447 1.00 0.00 O ATOM 0 H GLU A 79 -11.503 -4.567 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.528 -2.818 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.896 -3.872 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.545 -2.457 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.980 -5.114 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.194 -4.555 -1.597 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.648 -1.412 -5.353 1.00 0.00 N ATOM 1162 CA ILE A 80 -10.030 -0.146 -5.727 1.00 0.00 C ATOM 1163 C ILE A 80 -10.929 0.648 -6.669 1.00 0.00 C ATOM 1164 O ILE A 80 -11.126 1.849 -6.489 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.663 -0.365 -6.402 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.716 -1.106 -5.457 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.063 0.968 -6.825 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.370 -1.418 -6.072 1.00 0.00 C ATOM 0 H ILE A 80 -10.020 -2.215 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.885 0.419 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.807 -0.976 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.566 -0.504 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.186 -2.037 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.097 0.798 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.733 1.461 -7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.929 1.601 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.751 -1.944 -5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.509 -2.046 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.879 -0.489 -6.363 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.472 -0.033 -7.673 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.351 0.609 -8.643 1.00 0.00 C ATOM 1182 C ARG A 81 -13.626 1.111 -7.973 1.00 0.00 C ATOM 1183 O ARG A 81 -14.232 2.085 -8.420 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.703 -0.367 -9.767 1.00 0.00 C ATOM 1185 CG ARG A 81 -11.556 -0.629 -10.729 1.00 0.00 C ATOM 1186 CD ARG A 81 -11.958 -1.603 -11.825 1.00 0.00 C ATOM 1187 NE ARG A 81 -10.807 -2.069 -12.593 1.00 0.00 N ATOM 1188 CZ ARG A 81 -10.900 -2.603 -13.806 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -12.085 -2.738 -14.385 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -9.807 -3.004 -14.442 1.00 0.00 N ATOM 0 H ARG A 81 -11.319 -1.028 -7.836 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.823 1.464 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.021 -1.313 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.552 0.027 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.234 0.311 -11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.704 -1.029 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.467 -2.458 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.670 -1.121 -12.495 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.881 -1.980 -12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.928 -2.432 -13.899 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.154 -3.148 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.893 -2.903 -14.000 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.880 -3.414 -15.373 1.00 0.00 H new ATOM 1204 N SER A 82 -14.029 0.439 -6.899 1.00 0.00 N ATOM 1205 CA SER A 82 -15.234 0.815 -6.170 1.00 0.00 C ATOM 1206 C SER A 82 -15.331 2.330 -6.024 1.00 0.00 C ATOM 1207 O SER A 82 -16.372 2.926 -6.302 1.00 0.00 O ATOM 1208 CB SER A 82 -15.246 0.156 -4.789 1.00 0.00 C ATOM 1209 OG SER A 82 -16.547 0.173 -4.227 1.00 0.00 O ATOM 0 H SER A 82 -13.538 -0.369 -6.515 1.00 0.00 H new ATOM 0 HA SER A 82 -16.096 0.467 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.895 -0.873 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.554 0.677 -4.128 1.00 0.00 H new ATOM 0 HG SER A 82 -16.528 -0.255 -3.346 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.239 2.947 -5.586 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.200 4.393 -5.401 1.00 0.00 C ATOM 1217 C CYS A 83 -13.250 5.043 -6.402 1.00 0.00 C ATOM 1218 O CYS A 83 -12.031 5.038 -6.232 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.768 4.735 -3.975 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.986 4.299 -2.711 1.00 0.00 S ATOM 0 H CYS A 83 -13.369 2.468 -5.352 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.203 4.783 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.833 4.220 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.564 5.804 -3.915 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.530 4.624 -1.538 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.820 5.616 -7.473 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.042 6.280 -8.524 1.00 0.00 C ATOM 1228 C PRO A 84 -12.410 7.581 -8.042 1.00 0.00 C ATOM 1229 O PRO A 84 -11.316 7.947 -8.472 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.083 6.561 -9.611 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.381 6.630 -8.884 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.268 5.660 -7.740 1.00 0.00 C ATOM 0 HA PRO A 84 -12.207 5.667 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.870 7.495 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.092 5.773 -10.364 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.572 7.640 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.210 6.365 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.827 6.000 -6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.658 4.677 -8.006 1.00 0.00 H new ATOM 1240 N SER A 85 -13.104 8.275 -7.146 1.00 0.00 N ATOM 1241 CA SER A 85 -12.611 9.538 -6.609 1.00 0.00 C ATOM 1242 C SER A 85 -11.270 9.343 -5.907 1.00 0.00 C ATOM 1243 O SER A 85 -10.225 9.734 -6.426 1.00 0.00 O ATOM 1244 CB SER A 85 -13.628 10.133 -5.633 1.00 0.00 C ATOM 1245 OG SER A 85 -13.995 9.190 -4.640 1.00 0.00 O ATOM 0 H SER A 85 -14.009 7.984 -6.777 1.00 0.00 H new ATOM 0 HA SER A 85 -12.470 10.228 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.206 11.019 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.515 10.455 -6.179 1.00 0.00 H new ATOM 0 HG SER A 85 -14.644 9.595 -4.028 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.310 8.737 -4.725 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.099 8.491 -3.952 1.00 0.00 C ATOM 1253 C GLU A 86 -10.155 7.126 -3.272 1.00 0.00 C ATOM 1254 O GLU A 86 -11.234 6.613 -2.976 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.905 9.588 -2.903 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.510 9.615 -2.301 1.00 0.00 C ATOM 1257 CD GLU A 86 -8.341 8.614 -1.175 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.224 8.559 -0.293 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -7.327 7.885 -1.175 1.00 0.00 O ATOM 0 H GLU A 86 -12.168 8.407 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.252 8.501 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.114 10.556 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.634 9.448 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.778 9.406 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.299 10.617 -1.926 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.986 6.545 -3.027 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.901 5.241 -2.382 1.00 0.00 C ATOM 1268 C ILE A 87 -7.758 5.199 -1.373 1.00 0.00 C ATOM 1269 O ILE A 87 -6.635 5.601 -1.677 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.702 4.114 -3.413 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.358 4.277 -4.126 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.843 4.108 -4.419 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.211 3.591 -3.417 1.00 0.00 C ATOM 0 H ILE A 87 -8.084 6.957 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.847 5.085 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.701 3.159 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.441 3.877 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.133 5.339 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.688 3.306 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.787 3.949 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.873 5.065 -4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.290 3.748 -3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.101 4.007 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.414 2.523 -3.345 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.053 4.709 -0.174 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.049 4.613 0.879 1.00 0.00 C ATOM 1287 C ILE A 88 -6.495 3.196 0.981 1.00 0.00 C ATOM 1288 O ILE A 88 -7.238 2.242 1.213 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.625 5.027 2.246 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.087 6.485 2.209 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.590 4.820 3.341 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.169 6.802 3.217 1.00 0.00 C ATOM 0 H ILE A 88 -8.978 4.372 0.093 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.244 5.298 0.612 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.488 4.398 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.230 7.134 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.454 6.716 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.012 5.117 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.306 3.768 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.709 5.426 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.447 7.853 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.042 6.179 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.799 6.603 4.223 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.184 3.066 0.809 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.528 1.765 0.883 1.00 0.00 C ATOM 1306 C LEU A 89 -3.412 1.777 1.923 1.00 0.00 C ATOM 1307 O LEU A 89 -2.660 2.747 2.031 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.963 1.377 -0.484 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.904 2.316 -1.064 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.995 1.566 -2.026 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.563 3.497 -1.761 1.00 0.00 C ATOM 0 H LEU A 89 -4.554 3.845 0.617 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.272 1.027 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.532 0.379 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.790 1.313 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.295 2.697 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.248 2.250 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.496 0.754 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.589 1.156 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.795 4.155 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.196 3.135 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.171 4.049 -1.045 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.307 0.693 2.683 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.280 0.577 3.713 1.00 0.00 C ATOM 1325 C LEU A 90 -1.226 -0.452 3.318 1.00 0.00 C ATOM 1326 O LEU A 90 -1.553 -1.543 2.849 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.912 0.189 5.050 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.940 -0.192 6.167 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.118 1.015 6.594 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.693 -0.773 7.355 1.00 0.00 C ATOM 0 H LEU A 90 -3.920 -0.118 2.606 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.793 1.547 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.523 1.023 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.586 -0.651 4.880 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.260 -0.954 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.432 0.725 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.549 1.388 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.783 1.799 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.985 -1.038 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.397 -0.034 7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.237 -1.664 7.041 1.00 0.00 H new ATOM 1342 N VAL A 91 0.041 -0.100 3.512 1.00 0.00 N ATOM 1343 CA VAL A 91 1.143 -0.994 3.179 1.00 0.00 C ATOM 1344 C VAL A 91 2.169 -1.045 4.306 1.00 0.00 C ATOM 1345 O VAL A 91 2.110 -0.255 5.248 1.00 0.00 O ATOM 1346 CB VAL A 91 1.846 -0.559 1.880 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.833 -0.372 0.761 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.643 0.717 2.107 1.00 0.00 C ATOM 0 H VAL A 91 0.330 0.799 3.898 1.00 0.00 H new ATOM 0 HA VAL A 91 0.714 -1.986 3.037 1.00 0.00 H new ATOM 0 HB VAL A 91 2.539 -1.345 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.349 -0.065 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.311 -1.312 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.113 0.395 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.133 1.010 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.972 1.513 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.396 0.544 2.876 1.00 0.00 H new ATOM 1358 N TRP A 92 3.107 -1.979 4.202 1.00 0.00 N ATOM 1359 CA TRP A 92 4.147 -2.134 5.213 1.00 0.00 C ATOM 1360 C TRP A 92 5.507 -1.722 4.662 1.00 0.00 C ATOM 1361 O TRP A 92 5.929 -2.197 3.607 1.00 0.00 O ATOM 1362 CB TRP A 92 4.198 -3.581 5.705 1.00 0.00 C ATOM 1363 CG TRP A 92 5.341 -3.852 6.636 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.618 -4.189 6.290 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.308 -3.811 8.067 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.382 -4.359 7.420 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.601 -4.132 8.523 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.312 -3.532 9.007 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 6.922 -4.183 9.877 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.632 -3.583 10.351 1.00 0.00 C ATOM 1371 CH2 TRP A 92 5.928 -3.905 10.775 1.00 0.00 C ATOM 0 H TRP A 92 3.169 -2.641 3.428 1.00 0.00 H new ATOM 0 HA TRP A 92 3.904 -1.482 6.052 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.262 -3.818 6.211 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.273 -4.247 4.845 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.975 -4.305 5.277 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.370 -4.613 7.435 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.311 -3.281 8.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.920 -4.433 10.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.870 -3.371 11.087 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.147 -3.934 11.832 1.00 0.00 H new ATOM 1382 N ARG A 93 6.190 -0.838 5.382 1.00 0.00 N ATOM 1383 CA ARG A 93 7.503 -0.363 4.963 1.00 0.00 C ATOM 1384 C ARG A 93 8.500 -0.433 6.116 1.00 0.00 C ATOM 1385 O ARG A 93 8.198 -0.025 7.238 1.00 0.00 O ATOM 1386 CB ARG A 93 7.408 1.073 4.444 1.00 0.00 C ATOM 1387 CG ARG A 93 8.603 1.499 3.607 1.00 0.00 C ATOM 1388 CD ARG A 93 8.383 2.865 2.977 1.00 0.00 C ATOM 1389 NE ARG A 93 7.235 2.874 2.073 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.658 3.984 1.629 1.00 0.00 C ATOM 1391 NH1 ARG A 93 7.120 5.170 2.002 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.618 3.910 0.809 1.00 0.00 N ATOM 0 H ARG A 93 5.856 -0.436 6.258 1.00 0.00 H new ATOM 0 HA ARG A 93 7.856 -1.010 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.502 1.175 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.309 1.751 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.496 1.525 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.783 0.761 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.232 3.606 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.278 3.160 2.429 1.00 0.00 H new ATOM 0 HE ARG A 93 6.856 1.978 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.920 5.231 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.675 6.021 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.261 3.000 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.175 4.763 0.468 1.00 0.00 H new ATOM 1406 N VAL A 94 9.690 -0.953 5.832 1.00 0.00 N ATOM 1407 CA VAL A 94 10.732 -1.077 6.845 1.00 0.00 C ATOM 1408 C VAL A 94 11.694 0.105 6.791 1.00 0.00 C ATOM 1409 O VAL A 94 12.133 0.512 5.715 1.00 0.00 O ATOM 1410 CB VAL A 94 11.530 -2.383 6.673 1.00 0.00 C ATOM 1411 CG1 VAL A 94 10.968 -3.474 7.571 1.00 0.00 C ATOM 1412 CG2 VAL A 94 11.523 -2.823 5.217 1.00 0.00 C ATOM 0 H VAL A 94 9.957 -1.295 4.909 1.00 0.00 H new ATOM 0 HA VAL A 94 10.232 -1.091 7.813 1.00 0.00 H new ATOM 0 HB VAL A 94 12.563 -2.199 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.544 -4.389 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.030 -3.156 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.926 -3.659 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.091 -3.747 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.496 -2.990 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.977 -2.047 4.600 1.00 0.00 H new ATOM 1422 N SER A 95 12.017 0.652 7.958 1.00 0.00 N ATOM 1423 CA SER A 95 12.926 1.789 8.044 1.00 0.00 C ATOM 1424 C SER A 95 14.298 1.352 8.546 1.00 0.00 C ATOM 1425 O SER A 95 14.512 1.198 9.748 1.00 0.00 O ATOM 1426 CB SER A 95 12.348 2.861 8.971 1.00 0.00 C ATOM 1427 OG SER A 95 11.041 3.231 8.570 1.00 0.00 O ATOM 0 H SER A 95 11.663 0.326 8.857 1.00 0.00 H new ATOM 0 HA SER A 95 13.042 2.207 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.326 2.487 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.995 3.738 8.966 1.00 0.00 H new ATOM 0 HG SER A 95 10.693 3.916 9.179 1.00 0.00 H new ATOM 1433 N GLY A 96 15.227 1.154 7.615 1.00 0.00 N ATOM 1434 CA GLY A 96 16.567 0.736 7.981 1.00 0.00 C ATOM 1435 C GLY A 96 17.637 1.466 7.194 1.00 0.00 C ATOM 1436 O GLY A 96 17.358 2.141 6.203 1.00 0.00 O ATOM 0 H GLY A 96 15.075 1.276 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.721 0.911 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.667 -0.337 7.816 1.00 0.00 H new ATOM 1440 N PRO A 97 18.896 1.335 7.638 1.00 0.00 N ATOM 1441 CA PRO A 97 20.038 1.982 6.983 1.00 0.00 C ATOM 1442 C PRO A 97 20.349 1.368 5.622 1.00 0.00 C ATOM 1443 O PRO A 97 21.260 1.813 4.924 1.00 0.00 O ATOM 1444 CB PRO A 97 21.192 1.736 7.957 1.00 0.00 C ATOM 1445 CG PRO A 97 20.802 0.507 8.704 1.00 0.00 C ATOM 1446 CD PRO A 97 19.303 0.546 8.813 1.00 0.00 C ATOM 0 HA PRO A 97 19.849 3.037 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.134 1.595 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.329 2.582 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 97 21.132 -0.390 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 97 21.265 0.487 9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.872 -0.455 8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.980 1.014 9.743 1.00 0.00 H new ATOM 1454 N SER A 98 19.587 0.343 5.252 1.00 0.00 N ATOM 1455 CA SER A 98 19.785 -0.334 3.976 1.00 0.00 C ATOM 1456 C SER A 98 20.200 0.657 2.893 1.00 0.00 C ATOM 1457 O SER A 98 19.494 1.629 2.621 1.00 0.00 O ATOM 1458 CB SER A 98 18.505 -1.059 3.556 1.00 0.00 C ATOM 1459 OG SER A 98 18.747 -1.932 2.466 1.00 0.00 O ATOM 0 H SER A 98 18.828 -0.036 5.818 1.00 0.00 H new ATOM 0 HA SER A 98 20.584 -1.064 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.111 -1.626 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 98 17.744 -0.329 3.279 1.00 0.00 H new ATOM 0 HG SER A 98 17.914 -2.384 2.218 1.00 0.00 H new ATOM 1465 N SER A 99 21.351 0.405 2.278 1.00 0.00 N ATOM 1466 CA SER A 99 21.864 1.276 1.227 1.00 0.00 C ATOM 1467 C SER A 99 20.832 1.454 0.117 1.00 0.00 C ATOM 1468 O SER A 99 19.710 0.958 0.212 1.00 0.00 O ATOM 1469 CB SER A 99 23.159 0.705 0.648 1.00 0.00 C ATOM 1470 OG SER A 99 22.902 -0.441 -0.145 1.00 0.00 O ATOM 0 H SER A 99 21.946 -0.396 2.490 1.00 0.00 H new ATOM 0 HA SER A 99 22.071 2.252 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.657 1.464 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 99 23.840 0.445 1.459 1.00 0.00 H new ATOM 0 HG SER A 99 23.746 -0.786 -0.505 1.00 0.00 H new ATOM 1476 N GLY A 100 21.222 2.166 -0.936 1.00 0.00 N ATOM 1477 CA GLY A 100 20.320 2.397 -2.050 1.00 0.00 C ATOM 1478 C GLY A 100 20.277 3.854 -2.467 1.00 0.00 C ATOM 1479 O GLY A 100 21.254 4.584 -2.299 1.00 0.00 O ATOM 0 H GLY A 100 22.146 2.587 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.632 1.788 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 100 19.317 2.071 -1.775 1.00 0.00 H new TER 1483 GLY A 100