USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 727 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 35 SER OG : rot -38:sc= 0.846 USER MOD Single : A 36 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 43 MET CE :methyl 144:sc= -0.746 (180deg=-1.67) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -60:sc= 2.04 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.97 X(o=-3,f=-3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.124) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -51:sc= 1.97 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 65:sc= -1.08! USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -29:sc= 0.285 USER MOD Single : A 125 THR OG1 : rot 66:sc= -0.18! USER MOD Single : A 126 SER OG : rot -133:sc= -0.509 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -2.666 -16.985 -11.684 1.00 0.00 N ATOM 2 CA SER A 35 -2.390 -17.860 -10.510 1.00 0.00 C ATOM 3 C SER A 35 -1.854 -17.029 -9.340 1.00 0.00 C ATOM 4 O SER A 35 -0.665 -16.978 -9.095 1.00 0.00 O ATOM 5 CB SER A 35 -1.331 -18.848 -10.996 1.00 0.00 C ATOM 6 OG SER A 35 -0.681 -18.315 -12.142 1.00 0.00 O ATOM 0 HA SER A 35 -3.287 -18.365 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.604 -19.037 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.794 -19.805 -11.238 1.00 0.00 H new ATOM 0 HG SER A 35 -1.337 -17.853 -12.705 1.00 0.00 H new ATOM 12 N ASN A 36 -2.723 -16.379 -8.611 1.00 0.00 N ATOM 13 CA ASN A 36 -2.265 -15.554 -7.452 1.00 0.00 C ATOM 14 C ASN A 36 -1.492 -14.325 -7.935 1.00 0.00 C ATOM 15 O ASN A 36 -1.831 -13.203 -7.612 1.00 0.00 O ATOM 16 CB ASN A 36 -1.346 -16.474 -6.645 1.00 0.00 C ATOM 17 CG ASN A 36 -1.859 -16.581 -5.209 1.00 0.00 C ATOM 18 OD1 ASN A 36 -1.153 -16.260 -4.273 1.00 0.00 O ATOM 19 ND2 ASN A 36 -3.067 -17.024 -4.992 1.00 0.00 N ATOM 0 H ASN A 36 -3.731 -16.383 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.104 -15.187 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.310 -17.462 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.328 -16.083 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.418 -17.101 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.660 -17.294 -5.777 1.00 0.00 H new ATOM 26 N ALA A 37 -0.446 -14.540 -8.688 1.00 0.00 N ATOM 27 CA ALA A 37 0.391 -13.418 -9.201 1.00 0.00 C ATOM 28 C ALA A 37 -0.431 -12.138 -9.402 1.00 0.00 C ATOM 29 O ALA A 37 -1.499 -12.156 -9.980 1.00 0.00 O ATOM 30 CB ALA A 37 0.929 -13.915 -10.541 1.00 0.00 C ATOM 0 H ALA A 37 -0.131 -15.467 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 37 1.181 -13.159 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.558 -13.146 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.517 -14.819 -10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.096 -14.136 -11.208 1.00 0.00 H new ATOM 36 N VAL A 38 0.072 -11.026 -8.933 1.00 0.00 N ATOM 37 CA VAL A 38 -0.659 -9.735 -9.097 1.00 0.00 C ATOM 38 C VAL A 38 0.344 -8.610 -9.367 1.00 0.00 C ATOM 39 O VAL A 38 1.473 -8.661 -8.923 1.00 0.00 O ATOM 40 CB VAL A 38 -1.376 -9.507 -7.765 1.00 0.00 C ATOM 41 CG1 VAL A 38 -0.420 -9.813 -6.610 1.00 0.00 C ATOM 42 CG2 VAL A 38 -1.829 -8.049 -7.676 1.00 0.00 C ATOM 0 H VAL A 38 0.963 -10.957 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.360 -9.755 -9.931 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.243 -10.164 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.932 -9.650 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.094 -10.851 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.447 -9.156 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.340 -7.884 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.960 -7.394 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.510 -7.829 -8.498 1.00 0.00 H new ATOM 52 N VAL A 39 -0.042 -7.598 -10.098 1.00 0.00 N ATOM 53 CA VAL A 39 0.922 -6.496 -10.384 1.00 0.00 C ATOM 54 C VAL A 39 0.340 -5.132 -10.031 1.00 0.00 C ATOM 55 O VAL A 39 -0.847 -4.896 -10.143 1.00 0.00 O ATOM 56 CB VAL A 39 1.182 -6.556 -11.890 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.100 -6.183 -12.645 1.00 0.00 C ATOM 58 CG2 VAL A 39 2.281 -5.552 -12.255 1.00 0.00 C ATOM 0 H VAL A 39 -0.971 -7.487 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 39 1.828 -6.619 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 39 1.493 -7.564 -12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.084 -6.225 -13.718 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.893 -6.885 -12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.404 -5.173 -12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.469 -5.592 -13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.961 -4.547 -11.980 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.195 -5.802 -11.717 1.00 0.00 H new ATOM 68 N LEU A 40 1.186 -4.215 -9.659 1.00 0.00 N ATOM 69 CA LEU A 40 0.723 -2.845 -9.355 1.00 0.00 C ATOM 70 C LEU A 40 1.297 -1.941 -10.440 1.00 0.00 C ATOM 71 O LEU A 40 2.457 -2.044 -10.787 1.00 0.00 O ATOM 72 CB LEU A 40 1.306 -2.510 -7.987 1.00 0.00 C ATOM 73 CG LEU A 40 1.183 -1.011 -7.753 1.00 0.00 C ATOM 74 CD1 LEU A 40 -0.295 -0.614 -7.775 1.00 0.00 C ATOM 75 CD2 LEU A 40 1.786 -0.655 -6.394 1.00 0.00 C ATOM 0 H LEU A 40 2.190 -4.363 -9.553 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.361 -2.729 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.777 -3.058 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.351 -2.815 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 40 1.717 -0.475 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.386 0.459 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.726 -0.868 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.827 -1.150 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.698 0.418 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.253 -1.190 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.838 -0.940 -6.377 1.00 0.00 H new ATOM 87 N VAL A 41 0.501 -1.102 -11.023 1.00 0.00 N ATOM 88 CA VAL A 41 1.025 -0.258 -12.129 1.00 0.00 C ATOM 89 C VAL A 41 0.742 1.225 -11.888 1.00 0.00 C ATOM 90 O VAL A 41 -0.384 1.625 -11.693 1.00 0.00 O ATOM 91 CB VAL A 41 0.265 -0.782 -13.352 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.142 0.301 -14.419 1.00 0.00 C ATOM 93 CG2 VAL A 41 1.006 -1.996 -13.927 1.00 0.00 C ATOM 0 H VAL A 41 -0.481 -0.961 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 41 2.108 -0.321 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.739 -1.073 -13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.401 -0.094 -15.278 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.398 1.155 -14.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.137 0.617 -14.733 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.468 -2.372 -14.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.013 -1.701 -14.222 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.064 -2.779 -13.171 1.00 0.00 H new ATOM 103 N LEU A 42 1.756 2.050 -11.906 1.00 0.00 N ATOM 104 CA LEU A 42 1.526 3.492 -11.696 1.00 0.00 C ATOM 105 C LEU A 42 1.988 4.297 -12.920 1.00 0.00 C ATOM 106 O LEU A 42 2.369 3.742 -13.930 1.00 0.00 O ATOM 107 CB LEU A 42 2.346 3.863 -10.467 1.00 0.00 C ATOM 108 CG LEU A 42 1.408 4.169 -9.298 1.00 0.00 C ATOM 109 CD1 LEU A 42 0.500 5.345 -9.662 1.00 0.00 C ATOM 110 CD2 LEU A 42 0.552 2.939 -8.998 1.00 0.00 C ATOM 0 H LEU A 42 2.728 1.780 -12.057 1.00 0.00 H new ATOM 0 HA LEU A 42 0.468 3.715 -11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.016 3.045 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.970 4.730 -10.682 1.00 0.00 H new ATOM 0 HG LEU A 42 1.998 4.427 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.167 5.561 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.110 6.223 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.090 5.090 -10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.117 3.156 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.037 2.682 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.198 2.101 -8.736 1.00 0.00 H new ATOM 122 N MET A 43 1.955 5.604 -12.835 1.00 0.00 N ATOM 123 CA MET A 43 2.392 6.441 -13.994 1.00 0.00 C ATOM 124 C MET A 43 3.605 7.295 -13.616 1.00 0.00 C ATOM 125 O MET A 43 3.891 8.302 -14.230 1.00 0.00 O ATOM 126 CB MET A 43 1.193 7.333 -14.318 1.00 0.00 C ATOM 127 CG MET A 43 0.706 8.017 -13.038 1.00 0.00 C ATOM 128 SD MET A 43 0.149 9.694 -13.427 1.00 0.00 S ATOM 129 CE MET A 43 -1.041 9.241 -14.712 1.00 0.00 C ATOM 0 H MET A 43 1.645 6.126 -12.015 1.00 0.00 H new ATOM 0 HA MET A 43 2.691 5.830 -14.846 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.473 8.082 -15.059 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.390 6.738 -14.753 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.109 7.445 -12.594 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.509 8.050 -12.302 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.904 9.905 -14.659 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.572 9.333 -15.691 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.366 8.212 -14.561 1.00 0.00 H new ATOM 139 N LYS A 44 4.314 6.893 -12.608 1.00 0.00 N ATOM 140 CA LYS A 44 5.518 7.666 -12.172 1.00 0.00 C ATOM 141 C LYS A 44 6.772 7.190 -12.917 1.00 0.00 C ATOM 142 O LYS A 44 7.078 7.668 -13.991 1.00 0.00 O ATOM 143 CB LYS A 44 5.634 7.410 -10.669 1.00 0.00 C ATOM 144 CG LYS A 44 4.582 8.242 -9.932 1.00 0.00 C ATOM 145 CD LYS A 44 4.714 9.711 -10.342 1.00 0.00 C ATOM 146 CE LYS A 44 4.158 10.608 -9.235 1.00 0.00 C ATOM 147 NZ LYS A 44 5.296 11.488 -8.849 1.00 0.00 N ATOM 0 H LYS A 44 4.116 6.057 -12.058 1.00 0.00 H new ATOM 0 HA LYS A 44 5.424 8.729 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.491 6.351 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.632 7.673 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.583 7.876 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.712 8.141 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.760 9.954 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.175 9.889 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.309 11.192 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.808 10.019 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.994 12.134 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.087 10.904 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.603 12.041 -9.675 1.00 0.00 H new ATOM 161 N SER A 45 7.498 6.256 -12.329 1.00 0.00 N ATOM 162 CA SER A 45 8.755 5.703 -12.944 1.00 0.00 C ATOM 163 C SER A 45 9.967 6.529 -12.515 1.00 0.00 C ATOM 164 O SER A 45 9.846 7.498 -11.793 1.00 0.00 O ATOM 165 CB SER A 45 8.573 5.755 -14.461 1.00 0.00 C ATOM 166 OG SER A 45 9.162 6.946 -14.965 1.00 0.00 O ATOM 0 H SER A 45 7.263 5.846 -11.425 1.00 0.00 H new ATOM 0 HA SER A 45 8.930 4.679 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.035 4.883 -14.924 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.513 5.725 -14.713 1.00 0.00 H new ATOM 0 HG SER A 45 8.727 7.724 -14.557 1.00 0.00 H new ATOM 172 N ASP A 46 11.139 6.142 -12.941 1.00 0.00 N ATOM 173 CA ASP A 46 12.363 6.894 -12.545 1.00 0.00 C ATOM 174 C ASP A 46 12.545 6.819 -11.027 1.00 0.00 C ATOM 175 O ASP A 46 13.227 5.956 -10.513 1.00 0.00 O ATOM 176 CB ASP A 46 12.111 8.338 -12.984 1.00 0.00 C ATOM 177 CG ASP A 46 12.919 8.638 -14.247 1.00 0.00 C ATOM 178 OD1 ASP A 46 12.636 8.028 -15.264 1.00 0.00 O ATOM 179 OD2 ASP A 46 13.807 9.471 -14.174 1.00 0.00 O ATOM 0 H ASP A 46 11.301 5.337 -13.546 1.00 0.00 H new ATOM 0 HA ASP A 46 13.266 6.488 -13.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.049 8.491 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.394 9.026 -12.187 1.00 0.00 H new ATOM 184 N GLU A 47 11.940 7.725 -10.310 1.00 0.00 N ATOM 185 CA GLU A 47 12.063 7.729 -8.831 1.00 0.00 C ATOM 186 C GLU A 47 11.723 6.369 -8.228 1.00 0.00 C ATOM 187 O GLU A 47 12.152 6.047 -7.140 1.00 0.00 O ATOM 188 CB GLU A 47 11.030 8.753 -8.376 1.00 0.00 C ATOM 189 CG GLU A 47 11.747 9.975 -7.833 1.00 0.00 C ATOM 190 CD GLU A 47 10.774 11.152 -7.755 1.00 0.00 C ATOM 191 OE1 GLU A 47 10.169 11.463 -8.769 1.00 0.00 O ATOM 192 OE2 GLU A 47 10.647 11.721 -6.684 1.00 0.00 O ATOM 0 H GLU A 47 11.359 8.471 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 47 13.081 7.959 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.387 9.034 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.387 8.323 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.153 9.761 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.590 10.229 -8.476 1.00 0.00 H new ATOM 199 N ILE A 48 10.936 5.576 -8.897 1.00 0.00 N ATOM 200 CA ILE A 48 10.565 4.269 -8.299 1.00 0.00 C ATOM 201 C ILE A 48 11.721 3.287 -8.335 1.00 0.00 C ATOM 202 O ILE A 48 12.192 2.856 -7.305 1.00 0.00 O ATOM 203 CB ILE A 48 9.346 3.713 -9.021 1.00 0.00 C ATOM 204 CG1 ILE A 48 8.786 4.653 -10.081 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.272 3.493 -7.964 1.00 0.00 C ATOM 206 CD1 ILE A 48 8.280 5.897 -9.384 1.00 0.00 C ATOM 0 H ILE A 48 10.540 5.772 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 48 10.319 4.423 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 48 9.642 2.799 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.557 4.910 -10.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.979 4.169 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.374 3.093 -8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.635 2.787 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.037 4.442 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.873 6.588 -10.122 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.500 5.624 -8.674 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.102 6.377 -8.853 1.00 0.00 H new ATOM 218 N ASP A 49 12.188 2.925 -9.491 1.00 0.00 N ATOM 219 CA ASP A 49 13.335 1.968 -9.550 1.00 0.00 C ATOM 220 C ASP A 49 14.304 2.289 -8.409 1.00 0.00 C ATOM 221 O ASP A 49 14.920 1.417 -7.827 1.00 0.00 O ATOM 222 CB ASP A 49 13.996 2.210 -10.906 1.00 0.00 C ATOM 223 CG ASP A 49 13.171 1.535 -12.000 1.00 0.00 C ATOM 224 OD1 ASP A 49 12.280 0.774 -11.659 1.00 0.00 O ATOM 225 OD2 ASP A 49 13.443 1.791 -13.160 1.00 0.00 O ATOM 0 H ASP A 49 11.834 3.243 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 49 13.027 0.928 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.072 3.280 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.011 1.814 -10.904 1.00 0.00 H new ATOM 230 N ALA A 50 14.396 3.547 -8.062 1.00 0.00 N ATOM 231 CA ALA A 50 15.276 3.952 -6.936 1.00 0.00 C ATOM 232 C ALA A 50 14.603 3.596 -5.618 1.00 0.00 C ATOM 233 O ALA A 50 15.157 2.873 -4.814 1.00 0.00 O ATOM 234 CB ALA A 50 15.445 5.464 -7.074 1.00 0.00 C ATOM 0 H ALA A 50 13.895 4.311 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 50 16.242 3.447 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.085 5.833 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.901 5.693 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.470 5.946 -7.010 1.00 0.00 H new ATOM 240 N ILE A 51 13.408 4.066 -5.379 1.00 0.00 N ATOM 241 CA ILE A 51 12.752 3.707 -4.128 1.00 0.00 C ATOM 242 C ILE A 51 12.343 2.240 -4.177 1.00 0.00 C ATOM 243 O ILE A 51 12.649 1.514 -3.288 1.00 0.00 O ATOM 244 CB ILE A 51 11.567 4.631 -4.024 1.00 0.00 C ATOM 245 CG1 ILE A 51 10.665 4.470 -5.229 1.00 0.00 C ATOM 246 CG2 ILE A 51 12.043 6.082 -3.909 1.00 0.00 C ATOM 247 CD1 ILE A 51 9.972 5.800 -5.558 1.00 0.00 C ATOM 0 H ILE A 51 12.877 4.676 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 51 13.395 3.816 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 51 10.999 4.373 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.249 4.135 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.917 3.702 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.180 6.743 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.663 6.192 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.626 6.345 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.327 5.669 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.372 6.119 -4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.724 6.558 -5.776 1.00 0.00 H new ATOM 259 N ILE A 52 11.700 1.765 -5.216 1.00 0.00 N ATOM 260 CA ILE A 52 11.365 0.308 -5.229 1.00 0.00 C ATOM 261 C ILE A 52 12.597 -0.477 -4.805 1.00 0.00 C ATOM 262 O ILE A 52 12.532 -1.417 -4.046 1.00 0.00 O ATOM 263 CB ILE A 52 11.017 -0.040 -6.662 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.793 0.756 -7.109 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.731 -1.539 -6.732 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.613 0.446 -6.192 1.00 0.00 C ATOM 0 H ILE A 52 11.401 2.302 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 52 10.541 0.074 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 52 11.845 0.211 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.013 1.823 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.541 0.505 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.478 -1.814 -7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.615 -2.093 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.896 -1.781 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.742 1.016 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.387 -0.619 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.867 0.719 -5.168 1.00 0.00 H new ATOM 278 N GLU A 53 13.730 -0.078 -5.281 1.00 0.00 N ATOM 279 CA GLU A 53 14.975 -0.778 -4.899 1.00 0.00 C ATOM 280 C GLU A 53 15.237 -0.608 -3.398 1.00 0.00 C ATOM 281 O GLU A 53 15.286 -1.562 -2.654 1.00 0.00 O ATOM 282 CB GLU A 53 16.056 -0.085 -5.715 1.00 0.00 C ATOM 283 CG GLU A 53 17.427 -0.672 -5.369 1.00 0.00 C ATOM 284 CD GLU A 53 18.294 0.407 -4.719 1.00 0.00 C ATOM 285 OE1 GLU A 53 18.111 1.567 -5.051 1.00 0.00 O ATOM 286 OE2 GLU A 53 19.127 0.056 -3.899 1.00 0.00 O ATOM 0 H GLU A 53 13.850 0.707 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 53 14.934 -1.851 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.856 -0.209 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.047 0.986 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.312 -1.518 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.911 -1.049 -6.270 1.00 0.00 H new ATOM 293 N ASP A 54 15.401 0.604 -2.944 1.00 0.00 N ATOM 294 CA ASP A 54 15.680 0.819 -1.486 1.00 0.00 C ATOM 295 C ASP A 54 14.409 0.690 -0.648 1.00 0.00 C ATOM 296 O ASP A 54 14.450 0.637 0.566 1.00 0.00 O ATOM 297 CB ASP A 54 16.209 2.244 -1.412 1.00 0.00 C ATOM 298 CG ASP A 54 16.600 2.573 0.029 1.00 0.00 C ATOM 299 OD1 ASP A 54 17.432 1.865 0.572 1.00 0.00 O ATOM 300 OD2 ASP A 54 16.060 3.527 0.566 1.00 0.00 O ATOM 0 H ASP A 54 15.355 1.452 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 54 16.379 0.080 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.072 2.357 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.449 2.943 -1.762 1.00 0.00 H new ATOM 305 N ILE A 55 13.288 0.676 -1.288 1.00 0.00 N ATOM 306 CA ILE A 55 11.990 0.594 -0.563 1.00 0.00 C ATOM 307 C ILE A 55 11.344 -0.785 -0.723 1.00 0.00 C ATOM 308 O ILE A 55 10.654 -1.269 0.153 1.00 0.00 O ATOM 309 CB ILE A 55 11.140 1.684 -1.228 1.00 0.00 C ATOM 310 CG1 ILE A 55 10.186 2.302 -0.224 1.00 0.00 C ATOM 311 CG2 ILE A 55 10.314 1.090 -2.351 1.00 0.00 C ATOM 312 CD1 ILE A 55 10.980 3.010 0.873 1.00 0.00 C ATOM 0 H ILE A 55 13.207 0.718 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 55 12.099 0.736 0.512 1.00 0.00 H new ATOM 0 HB ILE A 55 11.818 2.444 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.526 3.011 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.552 1.530 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.715 1.873 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.976 0.650 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.656 0.319 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.291 3.453 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.621 2.290 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.595 3.793 0.429 1.00 0.00 H new ATOM 324 N VAL A 56 11.513 -1.381 -1.866 1.00 0.00 N ATOM 325 CA VAL A 56 10.858 -2.686 -2.128 1.00 0.00 C ATOM 326 C VAL A 56 11.867 -3.816 -2.362 1.00 0.00 C ATOM 327 O VAL A 56 11.643 -4.932 -1.947 1.00 0.00 O ATOM 328 CB VAL A 56 10.030 -2.397 -3.377 1.00 0.00 C ATOM 329 CG1 VAL A 56 9.825 -3.671 -4.191 1.00 0.00 C ATOM 330 CG2 VAL A 56 8.676 -1.836 -2.943 1.00 0.00 C ATOM 0 H VAL A 56 12.079 -1.018 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 56 10.266 -3.039 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 56 10.555 -1.675 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.232 -3.445 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.793 -4.069 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.302 -4.410 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.071 -1.624 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.163 -2.567 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.828 -0.917 -2.377 1.00 0.00 H new ATOM 340 N LEU A 57 12.959 -3.550 -3.034 1.00 0.00 N ATOM 341 CA LEU A 57 13.956 -4.634 -3.293 1.00 0.00 C ATOM 342 C LEU A 57 14.054 -5.549 -2.082 1.00 0.00 C ATOM 343 O LEU A 57 13.865 -6.747 -2.157 1.00 0.00 O ATOM 344 CB LEU A 57 15.277 -3.904 -3.488 1.00 0.00 C ATOM 345 CG LEU A 57 16.257 -4.816 -4.191 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.557 -5.997 -3.275 1.00 0.00 C ATOM 347 CD2 LEU A 57 15.623 -5.299 -5.494 1.00 0.00 C ATOM 0 H LEU A 57 13.203 -2.635 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 57 13.685 -5.249 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.121 -2.998 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.679 -3.594 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 57 17.186 -4.293 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.263 -6.667 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.989 -5.634 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.634 -6.536 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.318 -5.959 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.704 -5.842 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.394 -4.442 -6.127 1.00 0.00 H new ATOM 359 N LYS A 58 14.333 -4.964 -0.966 1.00 0.00 N ATOM 360 CA LYS A 58 14.436 -5.744 0.300 1.00 0.00 C ATOM 361 C LYS A 58 13.034 -6.010 0.851 1.00 0.00 C ATOM 362 O LYS A 58 12.688 -7.123 1.194 1.00 0.00 O ATOM 363 CB LYS A 58 15.222 -4.846 1.254 1.00 0.00 C ATOM 364 CG LYS A 58 16.227 -5.687 2.043 1.00 0.00 C ATOM 365 CD LYS A 58 16.690 -4.906 3.275 1.00 0.00 C ATOM 366 CE LYS A 58 16.488 -5.762 4.526 1.00 0.00 C ATOM 367 NZ LYS A 58 17.504 -5.267 5.497 1.00 0.00 N ATOM 0 H LYS A 58 14.498 -3.962 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 58 14.922 -6.710 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.743 -4.071 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.540 -4.340 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.770 -6.629 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.082 -5.936 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.741 -4.634 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.127 -3.977 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.478 -5.653 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.632 -6.820 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.429 -5.806 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.456 -5.390 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.337 -4.259 5.690 1.00 0.00 H new ATOM 381 N GLY A 59 12.221 -4.989 0.933 1.00 0.00 N ATOM 382 CA GLY A 59 10.836 -5.174 1.455 1.00 0.00 C ATOM 383 C GLY A 59 10.169 -6.331 0.713 1.00 0.00 C ATOM 384 O GLY A 59 9.577 -7.207 1.312 1.00 0.00 O ATOM 0 H GLY A 59 12.457 -4.035 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.862 -5.380 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.259 -4.259 1.321 1.00 0.00 H new ATOM 388 N GLY A 60 10.265 -6.345 -0.591 1.00 0.00 N ATOM 389 CA GLY A 60 9.640 -7.450 -1.372 1.00 0.00 C ATOM 390 C GLY A 60 10.517 -8.709 -1.298 1.00 0.00 C ATOM 391 O GLY A 60 10.273 -9.689 -1.971 1.00 0.00 O ATOM 0 H GLY A 60 10.749 -5.640 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.646 -7.666 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.514 -7.146 -2.411 1.00 0.00 H new ATOM 395 N LYS A 61 11.542 -8.686 -0.494 1.00 0.00 N ATOM 396 CA LYS A 61 12.435 -9.879 -0.383 1.00 0.00 C ATOM 397 C LYS A 61 12.211 -10.608 0.948 1.00 0.00 C ATOM 398 O LYS A 61 12.737 -11.681 1.170 1.00 0.00 O ATOM 399 CB LYS A 61 13.854 -9.318 -0.446 1.00 0.00 C ATOM 400 CG LYS A 61 14.559 -9.852 -1.694 1.00 0.00 C ATOM 401 CD LYS A 61 15.889 -9.120 -1.878 1.00 0.00 C ATOM 402 CE LYS A 61 17.023 -10.142 -1.985 1.00 0.00 C ATOM 403 NZ LYS A 61 17.693 -10.112 -0.654 1.00 0.00 N ATOM 0 H LYS A 61 11.803 -7.893 0.093 1.00 0.00 H new ATOM 0 HA LYS A 61 12.240 -10.604 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.825 -8.229 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.409 -9.603 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.732 -10.924 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.928 -9.709 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.855 -8.503 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.067 -8.450 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.639 -11.136 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.718 -9.879 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.484 -10.788 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.055 -9.155 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.009 -10.373 0.085 1.00 0.00 H new ATOM 417 N ALA A 62 11.450 -10.036 1.841 1.00 0.00 N ATOM 418 CA ALA A 62 11.217 -10.695 3.142 1.00 0.00 C ATOM 419 C ALA A 62 10.029 -11.645 3.038 1.00 0.00 C ATOM 420 O ALA A 62 10.180 -12.832 2.825 1.00 0.00 O ATOM 421 CB ALA A 62 10.918 -9.560 4.121 1.00 0.00 C ATOM 0 H ALA A 62 10.982 -9.138 1.718 1.00 0.00 H new ATOM 0 HA ALA A 62 12.073 -11.288 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.734 -9.974 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.770 -8.882 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.036 -9.014 3.786 1.00 0.00 H new ATOM 427 N LYS A 63 8.845 -11.121 3.160 1.00 0.00 N ATOM 428 CA LYS A 63 7.634 -11.978 3.041 1.00 0.00 C ATOM 429 C LYS A 63 7.365 -12.215 1.565 1.00 0.00 C ATOM 430 O LYS A 63 6.841 -13.231 1.153 1.00 0.00 O ATOM 431 CB LYS A 63 6.510 -11.150 3.655 1.00 0.00 C ATOM 432 CG LYS A 63 6.267 -9.902 2.804 1.00 0.00 C ATOM 433 CD LYS A 63 5.624 -8.813 3.660 1.00 0.00 C ATOM 434 CE LYS A 63 6.578 -7.621 3.757 1.00 0.00 C ATOM 435 NZ LYS A 63 5.712 -6.422 3.579 1.00 0.00 N ATOM 0 H LYS A 63 8.662 -10.133 3.338 1.00 0.00 H new ATOM 0 HA LYS A 63 7.735 -12.946 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.598 -11.744 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.771 -10.863 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.209 -9.543 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.620 -10.145 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.676 -8.501 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.403 -9.199 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.088 -7.601 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.350 -7.669 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.294 -5.562 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.245 -6.466 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.992 -6.400 4.329 1.00 0.00 H new ATOM 449 N ASN A 64 7.735 -11.256 0.778 1.00 0.00 N ATOM 450 CA ASN A 64 7.541 -11.344 -0.692 1.00 0.00 C ATOM 451 C ASN A 64 8.559 -12.305 -1.310 1.00 0.00 C ATOM 452 O ASN A 64 9.750 -12.172 -1.104 1.00 0.00 O ATOM 453 CB ASN A 64 7.781 -9.915 -1.173 1.00 0.00 C ATOM 454 CG ASN A 64 6.440 -9.180 -1.245 1.00 0.00 C ATOM 455 OD1 ASN A 64 5.426 -9.703 -0.827 1.00 0.00 O ATOM 456 ND2 ASN A 64 6.389 -7.982 -1.758 1.00 0.00 N ATOM 0 H ASN A 64 8.175 -10.392 1.096 1.00 0.00 H new ATOM 0 HA ASN A 64 6.558 -11.723 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.458 -9.398 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.259 -9.923 -2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.499 -7.486 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.239 -7.541 -2.109 1.00 0.00 H new ATOM 463 N PRO A 65 8.046 -13.244 -2.054 1.00 0.00 N ATOM 464 CA PRO A 65 8.895 -14.258 -2.729 1.00 0.00 C ATOM 465 C PRO A 65 9.835 -13.594 -3.744 1.00 0.00 C ATOM 466 O PRO A 65 11.020 -13.859 -3.767 1.00 0.00 O ATOM 467 CB PRO A 65 7.860 -15.141 -3.428 1.00 0.00 C ATOM 468 CG PRO A 65 6.681 -14.258 -3.598 1.00 0.00 C ATOM 469 CD PRO A 65 6.631 -13.464 -2.347 1.00 0.00 C ATOM 0 HA PRO A 65 9.546 -14.809 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.228 -15.502 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.617 -16.019 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.788 -13.616 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.768 -14.837 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.094 -12.525 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.130 -14.004 -1.544 1.00 0.00 H new ATOM 477 N SER A 66 9.319 -12.725 -4.573 1.00 0.00 N ATOM 478 CA SER A 66 10.175 -12.038 -5.572 1.00 0.00 C ATOM 479 C SER A 66 9.329 -11.098 -6.392 1.00 0.00 C ATOM 480 O SER A 66 8.444 -11.480 -7.132 1.00 0.00 O ATOM 481 CB SER A 66 10.794 -13.134 -6.439 1.00 0.00 C ATOM 482 OG SER A 66 12.026 -12.670 -6.974 1.00 0.00 O ATOM 0 H SER A 66 8.334 -12.463 -4.597 1.00 0.00 H new ATOM 0 HA SER A 66 10.959 -11.443 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.958 -14.034 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.113 -13.404 -7.246 1.00 0.00 H new ATOM 0 HG SER A 66 12.426 -13.371 -7.529 1.00 0.00 H new ATOM 488 N ILE A 67 9.581 -9.861 -6.191 1.00 0.00 N ATOM 489 CA ILE A 67 8.821 -8.802 -6.840 1.00 0.00 C ATOM 490 C ILE A 67 9.612 -8.161 -7.980 1.00 0.00 C ATOM 491 O ILE A 67 10.776 -7.838 -7.842 1.00 0.00 O ATOM 492 CB ILE A 67 8.619 -7.843 -5.681 1.00 0.00 C ATOM 493 CG1 ILE A 67 7.410 -8.298 -4.863 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.399 -6.417 -6.192 1.00 0.00 C ATOM 495 CD1 ILE A 67 7.528 -9.802 -4.589 1.00 0.00 C ATOM 0 H ILE A 67 10.320 -9.527 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 67 7.896 -9.133 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 67 9.511 -7.845 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.362 -7.747 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.488 -8.085 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.256 -5.745 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.269 -6.098 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.515 -6.391 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.669 -10.134 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.556 -10.343 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.443 -10.000 -4.031 1.00 0.00 H new ATOM 507 N VAL A 68 8.981 -7.957 -9.100 1.00 0.00 N ATOM 508 CA VAL A 68 9.693 -7.312 -10.243 1.00 0.00 C ATOM 509 C VAL A 68 9.474 -5.795 -10.188 1.00 0.00 C ATOM 510 O VAL A 68 8.579 -5.315 -9.521 1.00 0.00 O ATOM 511 CB VAL A 68 9.086 -7.927 -11.517 1.00 0.00 C ATOM 512 CG1 VAL A 68 7.909 -7.082 -12.017 1.00 0.00 C ATOM 513 CG2 VAL A 68 10.154 -7.984 -12.611 1.00 0.00 C ATOM 0 H VAL A 68 8.008 -8.206 -9.276 1.00 0.00 H new ATOM 0 HA VAL A 68 10.770 -7.479 -10.215 1.00 0.00 H new ATOM 0 HB VAL A 68 8.730 -8.930 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.494 -7.533 -12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.140 -7.037 -11.246 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.255 -6.073 -12.243 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.727 -8.419 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.508 -6.976 -12.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.989 -8.598 -12.273 1.00 0.00 H new ATOM 523 N VAL A 69 10.278 -5.037 -10.879 1.00 0.00 N ATOM 524 CA VAL A 69 10.098 -3.557 -10.853 1.00 0.00 C ATOM 525 C VAL A 69 10.229 -2.981 -12.265 1.00 0.00 C ATOM 526 O VAL A 69 11.310 -2.904 -12.814 1.00 0.00 O ATOM 527 CB VAL A 69 11.215 -3.034 -9.954 1.00 0.00 C ATOM 528 CG1 VAL A 69 11.018 -1.535 -9.718 1.00 0.00 C ATOM 529 CG2 VAL A 69 11.176 -3.775 -8.615 1.00 0.00 C ATOM 0 H VAL A 69 11.048 -5.374 -11.457 1.00 0.00 H new ATOM 0 HA VAL A 69 9.113 -3.270 -10.485 1.00 0.00 H new ATOM 0 HB VAL A 69 12.180 -3.200 -10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.815 -1.160 -9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.044 -1.010 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.055 -1.366 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.973 -3.404 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.212 -3.607 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.315 -4.843 -8.786 1.00 0.00 H new ATOM 539 N GLU A 70 9.137 -2.582 -12.857 1.00 0.00 N ATOM 540 CA GLU A 70 9.199 -2.018 -14.233 1.00 0.00 C ATOM 541 C GLU A 70 9.104 -0.489 -14.189 1.00 0.00 C ATOM 542 O GLU A 70 8.407 0.077 -13.369 1.00 0.00 O ATOM 543 CB GLU A 70 7.980 -2.588 -14.960 1.00 0.00 C ATOM 544 CG GLU A 70 7.699 -4.022 -14.509 1.00 0.00 C ATOM 545 CD GLU A 70 8.885 -4.921 -14.867 1.00 0.00 C ATOM 546 OE1 GLU A 70 9.960 -4.392 -15.089 1.00 0.00 O ATOM 547 OE2 GLU A 70 8.695 -6.126 -14.912 1.00 0.00 O ATOM 0 H GLU A 70 8.204 -2.623 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 70 10.135 -2.274 -14.730 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.109 -1.963 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.151 -2.568 -16.036 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.524 -4.047 -13.433 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.793 -4.392 -14.988 1.00 0.00 H new ATOM 554 N ASP A 71 9.786 0.177 -15.077 1.00 0.00 N ATOM 555 CA ASP A 71 9.731 1.667 -15.111 1.00 0.00 C ATOM 556 C ASP A 71 9.611 2.127 -16.565 1.00 0.00 C ATOM 557 O ASP A 71 10.464 1.843 -17.381 1.00 0.00 O ATOM 558 CB ASP A 71 11.060 2.127 -14.515 1.00 0.00 C ATOM 559 CG ASP A 71 12.210 1.641 -15.401 1.00 0.00 C ATOM 560 OD1 ASP A 71 12.371 0.438 -15.523 1.00 0.00 O ATOM 561 OD2 ASP A 71 12.910 2.481 -15.942 1.00 0.00 O ATOM 0 H ASP A 71 10.383 -0.248 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 71 8.883 2.074 -14.561 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.080 3.214 -14.438 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.174 1.734 -13.505 1.00 0.00 H new ATOM 566 N LYS A 72 8.560 2.820 -16.905 1.00 0.00 N ATOM 567 CA LYS A 72 8.410 3.264 -18.325 1.00 0.00 C ATOM 568 C LYS A 72 8.204 4.780 -18.421 1.00 0.00 C ATOM 569 O LYS A 72 7.089 5.247 -18.535 1.00 0.00 O ATOM 570 CB LYS A 72 7.177 2.525 -18.842 1.00 0.00 C ATOM 571 CG LYS A 72 7.607 1.263 -19.592 1.00 0.00 C ATOM 572 CD LYS A 72 6.371 0.423 -19.927 1.00 0.00 C ATOM 573 CE LYS A 72 6.807 -0.987 -20.333 1.00 0.00 C ATOM 574 NZ LYS A 72 7.398 -0.838 -21.694 1.00 0.00 N ATOM 0 H LYS A 72 7.807 3.096 -16.274 1.00 0.00 H new ATOM 0 HA LYS A 72 9.304 3.043 -18.908 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.525 2.260 -18.010 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.603 3.174 -19.503 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.136 1.533 -20.506 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.300 0.683 -18.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.706 0.375 -19.065 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.810 0.889 -20.737 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.535 -1.392 -19.630 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.960 -1.673 -20.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.138 -1.659 -22.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.035 0.030 -22.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.434 -0.782 -21.618 1.00 0.00 H new ATOM 588 N ALA A 73 9.282 5.532 -18.396 1.00 0.00 N ATOM 589 CA ALA A 73 9.206 7.030 -18.503 1.00 0.00 C ATOM 590 C ALA A 73 7.803 7.557 -18.181 1.00 0.00 C ATOM 591 O ALA A 73 7.065 7.961 -19.058 1.00 0.00 O ATOM 592 CB ALA A 73 9.565 7.333 -19.958 1.00 0.00 C ATOM 0 H ALA A 73 10.229 5.165 -18.304 1.00 0.00 H new ATOM 0 HA ALA A 73 9.875 7.513 -17.791 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.534 8.410 -20.124 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.568 6.962 -20.170 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.850 6.843 -20.619 1.00 0.00 H new ATOM 598 N GLY A 74 7.428 7.551 -16.933 1.00 0.00 N ATOM 599 CA GLY A 74 6.075 8.049 -16.561 1.00 0.00 C ATOM 600 C GLY A 74 5.153 6.872 -16.271 1.00 0.00 C ATOM 601 O GLY A 74 3.954 7.014 -16.145 1.00 0.00 O ATOM 0 H GLY A 74 8.000 7.223 -16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.143 8.694 -15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.665 8.653 -17.370 1.00 0.00 H new ATOM 605 N PHE A 75 5.714 5.719 -16.170 1.00 0.00 N ATOM 606 CA PHE A 75 4.898 4.505 -15.885 1.00 0.00 C ATOM 607 C PHE A 75 5.608 3.605 -14.867 1.00 0.00 C ATOM 608 O PHE A 75 6.513 2.865 -15.197 1.00 0.00 O ATOM 609 CB PHE A 75 4.760 3.795 -17.232 1.00 0.00 C ATOM 610 CG PHE A 75 3.614 4.399 -18.010 1.00 0.00 C ATOM 611 CD1 PHE A 75 3.744 5.675 -18.571 1.00 0.00 C ATOM 612 CD2 PHE A 75 2.422 3.684 -18.167 1.00 0.00 C ATOM 613 CE1 PHE A 75 2.681 6.237 -19.288 1.00 0.00 C ATOM 614 CE2 PHE A 75 1.358 4.246 -18.884 1.00 0.00 C ATOM 615 CZ PHE A 75 1.488 5.522 -19.443 1.00 0.00 C ATOM 0 H PHE A 75 6.715 5.551 -16.272 1.00 0.00 H new ATOM 0 HA PHE A 75 3.928 4.755 -15.455 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.686 3.887 -17.799 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.586 2.730 -17.077 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.665 6.226 -18.451 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.322 2.699 -17.736 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.782 7.221 -19.721 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.437 3.694 -19.005 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.667 5.956 -19.995 1.00 0.00 H new ATOM 625 N TRP A 76 5.191 3.664 -13.632 1.00 0.00 N ATOM 626 CA TRP A 76 5.817 2.815 -12.575 1.00 0.00 C ATOM 627 C TRP A 76 5.085 1.475 -12.497 1.00 0.00 C ATOM 628 O TRP A 76 4.153 1.313 -11.734 1.00 0.00 O ATOM 629 CB TRP A 76 5.623 3.609 -11.276 1.00 0.00 C ATOM 630 CG TRP A 76 6.008 2.767 -10.118 1.00 0.00 C ATOM 631 CD1 TRP A 76 7.039 1.908 -10.113 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.401 2.692 -8.794 1.00 0.00 C ATOM 633 NE1 TRP A 76 7.098 1.292 -8.891 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.109 1.736 -8.036 1.00 0.00 C ATOM 635 CE3 TRP A 76 4.320 3.345 -8.187 1.00 0.00 C ATOM 636 CZ2 TRP A 76 5.754 1.437 -6.719 1.00 0.00 C ATOM 637 CZ3 TRP A 76 3.961 3.051 -6.864 1.00 0.00 C ATOM 638 CH2 TRP A 76 4.674 2.096 -6.133 1.00 0.00 C ATOM 0 H TRP A 76 4.437 4.269 -13.306 1.00 0.00 H new ATOM 0 HA TRP A 76 6.868 2.600 -12.769 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.229 4.515 -11.297 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.583 3.923 -11.181 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.713 1.731 -10.938 1.00 0.00 H new ATOM 0 HE1 TRP A 76 7.792 0.587 -8.642 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.759 4.081 -8.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.312 0.701 -6.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 3.129 3.565 -6.407 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.389 1.869 -5.116 1.00 0.00 H new ATOM 649 N TRP A 77 5.486 0.514 -13.285 1.00 0.00 N ATOM 650 CA TRP A 77 4.790 -0.801 -13.247 1.00 0.00 C ATOM 651 C TRP A 77 5.564 -1.790 -12.372 1.00 0.00 C ATOM 652 O TRP A 77 6.647 -2.225 -12.708 1.00 0.00 O ATOM 653 CB TRP A 77 4.734 -1.266 -14.708 1.00 0.00 C ATOM 654 CG TRP A 77 3.664 -0.501 -15.414 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.384 0.803 -15.194 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.729 -0.951 -16.442 1.00 0.00 C ATOM 657 NE1 TRP A 77 2.337 1.181 -16.010 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.899 0.138 -16.797 1.00 0.00 C ATOM 659 CE3 TRP A 77 2.517 -2.183 -17.089 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.898 0.015 -17.759 1.00 0.00 C ATOM 661 CZ3 TRP A 77 1.506 -2.310 -18.060 1.00 0.00 C ATOM 662 CH2 TRP A 77 0.698 -1.213 -18.393 1.00 0.00 C ATOM 0 H TRP A 77 6.259 0.582 -13.947 1.00 0.00 H new ATOM 0 HA TRP A 77 3.792 -0.731 -12.814 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.697 -1.104 -15.193 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.528 -2.335 -14.756 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.897 1.445 -14.493 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.936 2.119 -16.028 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.133 -3.034 -16.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.281 0.864 -18.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.351 -3.259 -18.552 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.077 -1.318 -19.138 1.00 0.00 H new ATOM 673 N ILE A 78 5.004 -2.148 -11.250 1.00 0.00 N ATOM 674 CA ILE A 78 5.685 -3.111 -10.341 1.00 0.00 C ATOM 675 C ILE A 78 4.848 -4.394 -10.273 1.00 0.00 C ATOM 676 O ILE A 78 3.637 -4.359 -10.370 1.00 0.00 O ATOM 677 CB ILE A 78 5.724 -2.397 -8.976 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.042 -1.622 -8.782 1.00 0.00 C ATOM 679 CG2 ILE A 78 5.602 -3.421 -7.840 1.00 0.00 C ATOM 680 CD1 ILE A 78 7.617 -1.123 -10.112 1.00 0.00 C ATOM 0 H ILE A 78 4.098 -1.813 -10.922 1.00 0.00 H new ATOM 0 HA ILE A 78 6.686 -3.391 -10.668 1.00 0.00 H new ATOM 0 HB ILE A 78 4.888 -1.698 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.869 -0.773 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.772 -2.265 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.631 -2.905 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.659 -3.959 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.430 -4.128 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.545 -0.583 -9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.816 -1.973 -10.764 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.899 -0.458 -10.592 1.00 0.00 H new ATOM 692 N LYS A 79 5.473 -5.523 -10.102 1.00 0.00 N ATOM 693 CA LYS A 79 4.692 -6.788 -10.027 1.00 0.00 C ATOM 694 C LYS A 79 5.118 -7.600 -8.798 1.00 0.00 C ATOM 695 O LYS A 79 6.280 -7.900 -8.610 1.00 0.00 O ATOM 696 CB LYS A 79 4.982 -7.514 -11.353 1.00 0.00 C ATOM 697 CG LYS A 79 5.675 -8.859 -11.107 1.00 0.00 C ATOM 698 CD LYS A 79 5.619 -9.706 -12.380 1.00 0.00 C ATOM 699 CE LYS A 79 5.059 -11.092 -12.051 1.00 0.00 C ATOM 700 NZ LYS A 79 4.757 -11.710 -13.372 1.00 0.00 N ATOM 0 H LYS A 79 6.484 -5.626 -10.011 1.00 0.00 H new ATOM 0 HA LYS A 79 3.621 -6.624 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.050 -7.676 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.612 -6.887 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.712 -8.697 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.188 -9.386 -10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.993 -9.218 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.616 -9.799 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.782 -11.687 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.163 -11.019 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.369 -12.664 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.061 -11.125 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.630 -11.773 -13.934 1.00 0.00 H new ATOM 714 N ALA A 80 4.180 -7.956 -7.966 1.00 0.00 N ATOM 715 CA ALA A 80 4.522 -8.749 -6.753 1.00 0.00 C ATOM 716 C ALA A 80 3.680 -10.026 -6.707 1.00 0.00 C ATOM 717 O ALA A 80 2.794 -10.225 -7.513 1.00 0.00 O ATOM 718 CB ALA A 80 4.177 -7.841 -5.570 1.00 0.00 C ATOM 0 H ALA A 80 3.191 -7.732 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 80 5.569 -9.052 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.402 -8.358 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.766 -6.926 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.116 -7.592 -5.600 1.00 0.00 H new ATOM 724 N ASP A 81 3.945 -10.890 -5.768 1.00 0.00 N ATOM 725 CA ASP A 81 3.152 -12.148 -5.675 1.00 0.00 C ATOM 726 C ASP A 81 2.487 -12.248 -4.302 1.00 0.00 C ATOM 727 O ASP A 81 2.615 -13.235 -3.605 1.00 0.00 O ATOM 728 CB ASP A 81 4.167 -13.274 -5.872 1.00 0.00 C ATOM 729 CG ASP A 81 3.616 -14.280 -6.882 1.00 0.00 C ATOM 730 OD1 ASP A 81 2.421 -14.522 -6.857 1.00 0.00 O ATOM 731 OD2 ASP A 81 4.400 -14.791 -7.666 1.00 0.00 O ATOM 0 H ASP A 81 4.674 -10.781 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 81 2.354 -12.192 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.114 -12.867 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.368 -13.768 -4.922 1.00 0.00 H new ATOM 736 N GLY A 82 1.779 -11.227 -3.913 1.00 0.00 N ATOM 737 CA GLY A 82 1.105 -11.239 -2.601 1.00 0.00 C ATOM 738 C GLY A 82 0.148 -10.052 -2.508 1.00 0.00 C ATOM 739 O GLY A 82 -0.906 -10.039 -3.114 1.00 0.00 O ATOM 0 H GLY A 82 1.641 -10.377 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.557 -12.172 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.843 -11.188 -1.801 1.00 0.00 H new ATOM 743 N ALA A 83 0.511 -9.055 -1.752 1.00 0.00 N ATOM 744 CA ALA A 83 -0.369 -7.860 -1.610 1.00 0.00 C ATOM 745 C ALA A 83 0.449 -6.574 -1.775 1.00 0.00 C ATOM 746 O ALA A 83 1.320 -6.278 -0.983 1.00 0.00 O ATOM 747 CB ALA A 83 -0.932 -7.956 -0.193 1.00 0.00 C ATOM 0 H ALA A 83 1.383 -9.015 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.155 -7.833 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.593 -7.110 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.492 -8.885 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.113 -7.942 0.526 1.00 0.00 H new ATOM 753 N ILE A 84 0.174 -5.810 -2.798 1.00 0.00 N ATOM 754 CA ILE A 84 0.936 -4.544 -3.011 1.00 0.00 C ATOM 755 C ILE A 84 0.071 -3.335 -2.639 1.00 0.00 C ATOM 756 O ILE A 84 -1.137 -3.363 -2.773 1.00 0.00 O ATOM 757 CB ILE A 84 1.270 -4.531 -4.501 1.00 0.00 C ATOM 758 CG1 ILE A 84 2.213 -3.369 -4.793 1.00 0.00 C ATOM 759 CG2 ILE A 84 -0.012 -4.368 -5.319 1.00 0.00 C ATOM 760 CD1 ILE A 84 3.591 -3.716 -4.244 1.00 0.00 C ATOM 0 H ILE A 84 -0.544 -6.007 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 84 1.832 -4.491 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 84 1.749 -5.471 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.268 -3.186 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.841 -2.454 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.233 -4.359 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.686 -5.198 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.498 -3.430 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.280 -2.895 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.524 -3.879 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.957 -4.622 -4.726 1.00 0.00 H new ATOM 772 N GLU A 85 0.674 -2.279 -2.159 1.00 0.00 N ATOM 773 CA GLU A 85 -0.112 -1.092 -1.771 1.00 0.00 C ATOM 774 C GLU A 85 0.013 0.026 -2.812 1.00 0.00 C ATOM 775 O GLU A 85 0.943 0.063 -3.593 1.00 0.00 O ATOM 776 CB GLU A 85 0.464 -0.646 -0.430 1.00 0.00 C ATOM 777 CG GLU A 85 0.116 -1.678 0.644 1.00 0.00 C ATOM 778 CD GLU A 85 1.402 -2.201 1.285 1.00 0.00 C ATOM 779 OE1 GLU A 85 2.219 -2.749 0.564 1.00 0.00 O ATOM 780 OE2 GLU A 85 1.548 -2.044 2.486 1.00 0.00 O ATOM 0 H GLU A 85 1.681 -2.196 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.175 -1.325 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.546 -0.535 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.062 0.329 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.524 -1.227 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.444 -2.502 0.203 1.00 0.00 H new ATOM 787 N ILE A 86 -0.922 0.940 -2.821 1.00 0.00 N ATOM 788 CA ILE A 86 -0.879 2.056 -3.786 1.00 0.00 C ATOM 789 C ILE A 86 -1.802 3.201 -3.326 1.00 0.00 C ATOM 790 O ILE A 86 -2.803 2.976 -2.677 1.00 0.00 O ATOM 791 CB ILE A 86 -1.309 1.433 -5.108 1.00 0.00 C ATOM 792 CG1 ILE A 86 -0.599 2.141 -6.241 1.00 0.00 C ATOM 793 CG2 ILE A 86 -2.800 1.583 -5.286 1.00 0.00 C ATOM 794 CD1 ILE A 86 -1.204 3.518 -6.365 1.00 0.00 C ATOM 0 H ILE A 86 -1.721 0.952 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 86 0.106 2.513 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.052 0.374 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.470 2.209 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.714 1.586 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.100 1.135 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.316 1.081 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.062 2.641 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.715 4.059 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.269 3.430 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.066 4.062 -5.430 1.00 0.00 H new ATOM 806 N ASP A 87 -1.473 4.427 -3.658 1.00 0.00 N ATOM 807 CA ASP A 87 -2.338 5.572 -3.236 1.00 0.00 C ATOM 808 C ASP A 87 -2.559 6.553 -4.378 1.00 0.00 C ATOM 809 O ASP A 87 -2.099 6.361 -5.486 1.00 0.00 O ATOM 810 CB ASP A 87 -1.552 6.296 -2.157 1.00 0.00 C ATOM 811 CG ASP A 87 -0.992 5.286 -1.156 1.00 0.00 C ATOM 812 OD1 ASP A 87 -0.149 4.498 -1.550 1.00 0.00 O ATOM 813 OD2 ASP A 87 -1.415 5.318 -0.012 1.00 0.00 O ATOM 0 H ASP A 87 -0.647 4.682 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.311 5.208 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.738 6.865 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.195 7.011 -1.644 1.00 0.00 H new ATOM 818 N ALA A 88 -3.238 7.631 -4.091 1.00 0.00 N ATOM 819 CA ALA A 88 -3.464 8.662 -5.136 1.00 0.00 C ATOM 820 C ALA A 88 -3.290 10.084 -4.552 1.00 0.00 C ATOM 821 O ALA A 88 -3.248 11.068 -5.274 1.00 0.00 O ATOM 822 CB ALA A 88 -4.897 8.427 -5.644 1.00 0.00 C ATOM 0 H ALA A 88 -3.644 7.839 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.742 8.584 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.132 9.155 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.977 7.421 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.599 8.538 -4.818 1.00 0.00 H new ATOM 828 N ALA A 89 -3.168 10.207 -3.254 1.00 0.00 N ATOM 829 CA ALA A 89 -2.983 11.553 -2.647 1.00 0.00 C ATOM 830 C ALA A 89 -1.971 12.365 -3.457 1.00 0.00 C ATOM 831 O ALA A 89 -2.204 13.508 -3.801 1.00 0.00 O ATOM 832 CB ALA A 89 -2.453 11.272 -1.246 1.00 0.00 C ATOM 0 H ALA A 89 -3.189 9.432 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.905 12.134 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.287 12.214 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.180 10.675 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.512 10.726 -1.316 1.00 0.00 H new ATOM 838 N GLU A 90 -0.851 11.778 -3.765 1.00 0.00 N ATOM 839 CA GLU A 90 0.183 12.495 -4.554 1.00 0.00 C ATOM 840 C GLU A 90 -0.454 13.132 -5.789 1.00 0.00 C ATOM 841 O GLU A 90 -0.240 14.288 -6.087 1.00 0.00 O ATOM 842 CB GLU A 90 1.179 11.409 -4.958 1.00 0.00 C ATOM 843 CG GLU A 90 2.417 12.054 -5.578 1.00 0.00 C ATOM 844 CD GLU A 90 3.649 11.202 -5.263 1.00 0.00 C ATOM 845 OE1 GLU A 90 3.538 9.989 -5.336 1.00 0.00 O ATOM 846 OE2 GLU A 90 4.680 11.776 -4.955 1.00 0.00 O ATOM 0 H GLU A 90 -0.606 10.824 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 90 0.660 13.299 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.462 10.819 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.718 10.725 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.291 12.145 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.549 13.063 -5.186 1.00 0.00 H new ATOM 853 N ALA A 91 -1.242 12.391 -6.505 1.00 0.00 N ATOM 854 CA ALA A 91 -1.892 12.966 -7.714 1.00 0.00 C ATOM 855 C ALA A 91 -2.701 14.207 -7.323 1.00 0.00 C ATOM 856 O ALA A 91 -2.917 15.095 -8.122 1.00 0.00 O ATOM 857 CB ALA A 91 -2.802 11.856 -8.239 1.00 0.00 C ATOM 0 H ALA A 91 -1.466 11.415 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.174 13.282 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.320 12.202 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.202 10.979 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.534 11.594 -7.475 1.00 0.00 H new ATOM 863 N GLY A 92 -3.150 14.276 -6.098 1.00 0.00 N ATOM 864 CA GLY A 92 -3.943 15.469 -5.662 1.00 0.00 C ATOM 865 C GLY A 92 -3.009 16.657 -5.487 1.00 0.00 C ATOM 866 O GLY A 92 -3.245 17.733 -5.991 1.00 0.00 O ATOM 0 H GLY A 92 -3.005 13.564 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.710 15.700 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.458 15.255 -4.725 1.00 0.00 H new ATOM 870 N GLU A 93 -1.938 16.466 -4.796 1.00 0.00 N ATOM 871 CA GLU A 93 -0.975 17.587 -4.622 1.00 0.00 C ATOM 872 C GLU A 93 -0.524 18.042 -6.013 1.00 0.00 C ATOM 873 O GLU A 93 -0.039 19.141 -6.201 1.00 0.00 O ATOM 874 CB GLU A 93 0.193 17.015 -3.810 1.00 0.00 C ATOM 875 CG GLU A 93 0.990 16.021 -4.658 1.00 0.00 C ATOM 876 CD GLU A 93 2.482 16.357 -4.576 1.00 0.00 C ATOM 877 OE1 GLU A 93 2.803 17.533 -4.537 1.00 0.00 O ATOM 878 OE2 GLU A 93 3.276 15.432 -4.555 1.00 0.00 O ATOM 0 H GLU A 93 -1.680 15.590 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.400 18.449 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.844 17.823 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.185 16.520 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.816 15.005 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.654 16.060 -5.694 1.00 0.00 H new ATOM 885 N LEU A 94 -0.707 17.191 -6.992 1.00 0.00 N ATOM 886 CA LEU A 94 -0.324 17.538 -8.390 1.00 0.00 C ATOM 887 C LEU A 94 -1.436 18.375 -9.036 1.00 0.00 C ATOM 888 O LEU A 94 -1.271 19.551 -9.289 1.00 0.00 O ATOM 889 CB LEU A 94 -0.179 16.186 -9.089 1.00 0.00 C ATOM 890 CG LEU A 94 -0.038 16.390 -10.593 1.00 0.00 C ATOM 891 CD1 LEU A 94 1.407 16.759 -10.915 1.00 0.00 C ATOM 892 CD2 LEU A 94 -0.407 15.090 -11.312 1.00 0.00 C ATOM 0 H LEU A 94 -1.110 16.261 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 94 0.591 18.128 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.693 15.659 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.048 15.563 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.700 17.190 -10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.514 16.906 -11.990 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.672 17.679 -10.394 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.069 15.955 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.308 15.229 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.260 14.292 -10.986 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.436 14.822 -11.074 1.00 0.00 H new ATOM 904 N LEU A 95 -2.581 17.785 -9.278 1.00 0.00 N ATOM 905 CA LEU A 95 -3.705 18.567 -9.877 1.00 0.00 C ATOM 906 C LEU A 95 -4.693 18.950 -8.774 1.00 0.00 C ATOM 907 O LEU A 95 -5.332 19.981 -8.821 1.00 0.00 O ATOM 908 CB LEU A 95 -4.362 17.660 -10.909 1.00 0.00 C ATOM 909 CG LEU A 95 -4.519 16.264 -10.338 1.00 0.00 C ATOM 910 CD1 LEU A 95 -5.818 15.664 -10.857 1.00 0.00 C ATOM 911 CD2 LEU A 95 -3.330 15.416 -10.781 1.00 0.00 C ATOM 0 H LEU A 95 -2.784 16.804 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.360 19.488 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.336 18.060 -11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.757 17.627 -11.815 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.551 16.296 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.942 14.659 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.657 16.287 -10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.787 15.616 -11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.431 14.409 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.302 15.369 -11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.407 15.864 -10.413 1.00 0.00 H new ATOM 923 N GLY A 96 -4.782 18.134 -7.762 1.00 0.00 N ATOM 924 CA GLY A 96 -5.686 18.440 -6.608 1.00 0.00 C ATOM 925 C GLY A 96 -7.165 18.336 -6.999 1.00 0.00 C ATOM 926 O GLY A 96 -7.968 19.164 -6.617 1.00 0.00 O ATOM 0 H GLY A 96 -4.264 17.259 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.477 17.750 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.477 19.444 -6.239 1.00 0.00 H new ATOM 930 N LYS A 97 -7.540 17.318 -7.723 1.00 0.00 N ATOM 931 CA LYS A 97 -8.994 17.162 -8.109 1.00 0.00 C ATOM 932 C LYS A 97 -9.420 15.660 -7.970 1.00 0.00 C ATOM 933 O LYS A 97 -9.241 15.116 -6.898 1.00 0.00 O ATOM 934 CB LYS A 97 -9.080 17.725 -9.536 1.00 0.00 C ATOM 935 CG LYS A 97 -8.738 19.220 -9.535 1.00 0.00 C ATOM 936 CD LYS A 97 -9.952 20.023 -10.013 1.00 0.00 C ATOM 937 CE LYS A 97 -10.266 19.663 -11.468 1.00 0.00 C ATOM 938 NZ LYS A 97 -11.437 20.510 -11.834 1.00 0.00 N ATOM 0 H LYS A 97 -6.918 16.587 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.691 17.699 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.393 17.187 -10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.083 17.574 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.451 19.537 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.885 19.409 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.814 19.809 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.751 21.091 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.414 19.866 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.499 18.603 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.710 20.318 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.235 20.290 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.184 21.514 -11.734 1.00 0.00 H new ATOM 952 N PRO A 98 -9.948 14.990 -9.004 1.00 0.00 N ATOM 953 CA PRO A 98 -10.312 13.551 -8.821 1.00 0.00 C ATOM 954 C PRO A 98 -9.029 12.730 -8.720 1.00 0.00 C ATOM 955 O PRO A 98 -9.052 11.542 -8.469 1.00 0.00 O ATOM 956 CB PRO A 98 -11.094 13.199 -10.079 1.00 0.00 C ATOM 957 CG PRO A 98 -10.622 14.170 -11.106 1.00 0.00 C ATOM 958 CD PRO A 98 -10.251 15.435 -10.379 1.00 0.00 C ATOM 0 HA PRO A 98 -10.894 13.354 -7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.903 12.172 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.168 13.288 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.765 13.771 -11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.403 14.363 -11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.390 15.920 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.068 16.156 -10.393 1.00 0.00 H new ATOM 966 N PHE A 99 -7.913 13.391 -8.909 1.00 0.00 N ATOM 967 CA PHE A 99 -6.579 12.744 -8.826 1.00 0.00 C ATOM 968 C PHE A 99 -6.607 11.478 -7.971 1.00 0.00 C ATOM 969 O PHE A 99 -6.033 10.471 -8.317 1.00 0.00 O ATOM 970 CB PHE A 99 -5.710 13.819 -8.165 1.00 0.00 C ATOM 971 CG PHE A 99 -5.915 13.789 -6.660 1.00 0.00 C ATOM 972 CD1 PHE A 99 -5.285 12.805 -5.895 1.00 0.00 C ATOM 973 CD2 PHE A 99 -6.737 14.735 -6.033 1.00 0.00 C ATOM 974 CE1 PHE A 99 -5.474 12.760 -4.514 1.00 0.00 C ATOM 975 CE2 PHE A 99 -6.926 14.692 -4.646 1.00 0.00 C ATOM 976 CZ PHE A 99 -6.294 13.704 -3.886 1.00 0.00 C ATOM 0 H PHE A 99 -7.878 14.387 -9.125 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.214 12.422 -9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.660 13.648 -8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.969 14.802 -8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.649 12.076 -6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.226 15.498 -6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.986 11.995 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.560 15.422 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.438 13.669 -2.816 1.00 0.00 H new ATOM 986 N SER A 100 -7.256 11.524 -6.847 1.00 0.00 N ATOM 987 CA SER A 100 -7.286 10.322 -5.987 1.00 0.00 C ATOM 988 C SER A 100 -7.672 9.137 -6.860 1.00 0.00 C ATOM 989 O SER A 100 -7.022 8.106 -6.917 1.00 0.00 O ATOM 990 CB SER A 100 -8.372 10.604 -4.950 1.00 0.00 C ATOM 991 OG SER A 100 -8.544 12.010 -4.818 1.00 0.00 O ATOM 0 H SER A 100 -7.762 12.335 -6.491 1.00 0.00 H new ATOM 0 HA SER A 100 -6.333 10.101 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.310 10.138 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.096 10.168 -3.990 1.00 0.00 H new ATOM 0 HG SER A 100 -7.674 12.433 -4.661 1.00 0.00 H new ATOM 997 N VAL A 101 -8.742 9.291 -7.552 1.00 0.00 N ATOM 998 CA VAL A 101 -9.217 8.205 -8.413 1.00 0.00 C ATOM 999 C VAL A 101 -8.827 8.396 -9.875 1.00 0.00 C ATOM 1000 O VAL A 101 -8.239 7.520 -10.475 1.00 0.00 O ATOM 1001 CB VAL A 101 -10.680 8.250 -8.210 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -11.331 7.171 -9.060 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -10.954 8.006 -6.727 1.00 0.00 C ATOM 0 H VAL A 101 -9.316 10.134 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.776 7.240 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.090 9.216 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.411 7.197 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.100 7.347 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.949 6.194 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -12.029 8.034 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.563 7.030 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.466 8.780 -6.135 1.00 0.00 H new ATOM 1013 N TYR A 102 -9.129 9.521 -10.463 1.00 0.00 N ATOM 1014 CA TYR A 102 -8.738 9.720 -11.888 1.00 0.00 C ATOM 1015 C TYR A 102 -7.300 9.234 -12.067 1.00 0.00 C ATOM 1016 O TYR A 102 -6.913 8.737 -13.112 1.00 0.00 O ATOM 1017 CB TYR A 102 -8.835 11.227 -12.127 1.00 0.00 C ATOM 1018 CG TYR A 102 -9.525 11.493 -13.444 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -10.918 11.385 -13.540 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -8.770 11.845 -14.569 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -11.556 11.630 -14.762 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -9.408 12.090 -15.791 1.00 0.00 C ATOM 1023 CZ TYR A 102 -10.800 11.983 -15.888 1.00 0.00 C ATOM 1024 OH TYR A 102 -11.428 12.225 -17.093 1.00 0.00 O ATOM 0 H TYR A 102 -9.622 10.300 -10.027 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.369 9.172 -12.588 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.388 11.698 -11.315 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.838 11.668 -12.132 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -11.500 11.113 -12.672 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.696 11.928 -14.494 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.630 11.547 -14.837 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.826 12.362 -16.659 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.759 12.459 -17.770 1.00 0.00 H new ATOM 1034 N ASP A 103 -6.519 9.336 -11.023 1.00 0.00 N ATOM 1035 CA ASP A 103 -5.117 8.854 -11.093 1.00 0.00 C ATOM 1036 C ASP A 103 -5.107 7.358 -10.838 1.00 0.00 C ATOM 1037 O ASP A 103 -4.476 6.606 -11.554 1.00 0.00 O ATOM 1038 CB ASP A 103 -4.356 9.583 -9.987 1.00 0.00 C ATOM 1039 CG ASP A 103 -2.852 9.453 -10.236 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -2.341 10.191 -11.064 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -2.236 8.617 -9.596 1.00 0.00 O ATOM 0 H ASP A 103 -6.797 9.734 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.662 9.044 -12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.643 10.634 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.613 9.162 -9.015 1.00 0.00 H new ATOM 1046 N LEU A 104 -5.814 6.897 -9.834 1.00 0.00 N ATOM 1047 CA LEU A 104 -5.816 5.436 -9.601 1.00 0.00 C ATOM 1048 C LEU A 104 -6.390 4.732 -10.833 1.00 0.00 C ATOM 1049 O LEU A 104 -5.903 3.717 -11.254 1.00 0.00 O ATOM 1050 CB LEU A 104 -6.680 5.202 -8.347 1.00 0.00 C ATOM 1051 CG LEU A 104 -8.158 4.990 -8.707 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -8.351 3.598 -9.310 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -9.007 5.098 -7.440 1.00 0.00 C ATOM 0 H LEU A 104 -6.371 7.457 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.815 5.034 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.309 4.331 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.588 6.057 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.461 5.748 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.401 3.454 -9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.744 3.504 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.045 2.842 -8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.057 4.948 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.693 4.337 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.877 6.086 -6.998 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.424 5.264 -11.415 1.00 0.00 N ATOM 1066 CA LEU A 105 -8.027 4.598 -12.609 1.00 0.00 C ATOM 1067 C LEU A 105 -7.027 4.514 -13.764 1.00 0.00 C ATOM 1068 O LEU A 105 -6.884 3.489 -14.399 1.00 0.00 O ATOM 1069 CB LEU A 105 -9.208 5.478 -13.017 1.00 0.00 C ATOM 1070 CG LEU A 105 -10.141 5.701 -11.827 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -11.122 6.827 -12.157 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -10.915 4.416 -11.538 1.00 0.00 C ATOM 0 H LEU A 105 -7.880 6.128 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.327 3.577 -12.374 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.845 6.437 -13.387 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.756 5.007 -13.834 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.555 5.974 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.789 6.988 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.568 7.743 -12.363 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -11.709 6.553 -13.034 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.580 4.575 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.503 4.141 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.215 3.614 -11.305 1.00 0.00 H new ATOM 1084 N ILE A 106 -6.350 5.588 -14.051 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.381 5.580 -15.176 1.00 0.00 C ATOM 1086 C ILE A 106 -4.121 4.798 -14.792 1.00 0.00 C ATOM 1087 O ILE A 106 -3.502 4.164 -15.622 1.00 0.00 O ATOM 1088 CB ILE A 106 -5.093 7.060 -15.433 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -5.916 7.524 -16.636 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -3.606 7.282 -15.718 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -5.900 9.052 -16.711 1.00 0.00 C ATOM 0 H ILE A 106 -6.427 6.474 -13.552 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.762 5.088 -16.071 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.364 7.632 -14.546 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.508 7.101 -17.554 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.941 7.165 -16.548 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.424 8.342 -15.898 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.018 6.953 -14.861 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.315 6.709 -16.599 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.487 9.380 -17.569 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.329 9.466 -15.798 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.873 9.400 -16.820 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.735 4.836 -13.548 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.516 4.089 -13.143 1.00 0.00 C ATOM 1105 C ASN A 107 -2.889 2.668 -12.704 1.00 0.00 C ATOM 1106 O ASN A 107 -2.212 1.717 -13.028 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.889 4.922 -12.006 1.00 0.00 C ATOM 1108 CG ASN A 107 -2.186 4.322 -10.626 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.984 3.145 -10.397 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -2.640 5.098 -9.683 1.00 0.00 N ATOM 0 H ASN A 107 -4.206 5.347 -12.802 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.803 3.963 -13.958 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.810 4.981 -12.152 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.273 5.941 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.825 4.718 -8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.810 6.086 -9.873 1.00 0.00 H new ATOM 1117 N VAL A 108 -3.966 2.504 -11.983 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.350 1.128 -11.547 1.00 0.00 C ATOM 1119 C VAL A 108 -4.730 0.250 -12.744 1.00 0.00 C ATOM 1120 O VAL A 108 -5.113 -0.879 -12.567 1.00 0.00 O ATOM 1121 CB VAL A 108 -5.551 1.291 -10.603 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -6.852 1.386 -11.413 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -5.627 0.079 -9.672 1.00 0.00 C ATOM 0 H VAL A 108 -4.590 3.252 -11.680 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.514 0.636 -11.051 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.425 2.204 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.696 1.501 -10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.803 2.247 -12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.981 0.478 -12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.478 0.189 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.748 -0.828 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.709 0.011 -9.088 1.00 0.00 H new ATOM 1133 N SER A 109 -4.650 0.755 -13.953 1.00 0.00 N ATOM 1134 CA SER A 109 -5.022 -0.080 -15.138 1.00 0.00 C ATOM 1135 C SER A 109 -4.626 -1.533 -14.923 1.00 0.00 C ATOM 1136 O SER A 109 -5.317 -2.438 -15.341 1.00 0.00 O ATOM 1137 CB SER A 109 -4.250 0.527 -16.309 1.00 0.00 C ATOM 1138 OG SER A 109 -5.019 0.401 -17.499 1.00 0.00 O ATOM 0 H SER A 109 -4.345 1.704 -14.169 1.00 0.00 H new ATOM 0 HA SER A 109 -6.098 -0.080 -15.315 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.035 1.577 -16.112 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.291 0.022 -16.427 1.00 0.00 H new ATOM 0 HG SER A 109 -4.526 0.792 -18.250 1.00 0.00 H new ATOM 1144 N SER A 110 -3.552 -1.770 -14.241 1.00 0.00 N ATOM 1145 CA SER A 110 -3.167 -3.176 -13.968 1.00 0.00 C ATOM 1146 C SER A 110 -3.858 -3.615 -12.678 1.00 0.00 C ATOM 1147 O SER A 110 -3.282 -4.283 -11.847 1.00 0.00 O ATOM 1148 CB SER A 110 -1.651 -3.151 -13.794 1.00 0.00 C ATOM 1149 OG SER A 110 -1.340 -2.984 -12.417 1.00 0.00 O ATOM 0 H SER A 110 -2.926 -1.059 -13.862 1.00 0.00 H new ATOM 0 HA SER A 110 -3.455 -3.868 -14.759 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.215 -4.078 -14.168 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.220 -2.338 -14.378 1.00 0.00 H new ATOM 0 HG SER A 110 -1.645 -3.768 -11.915 1.00 0.00 H new ATOM 1155 N THR A 111 -5.087 -3.204 -12.490 1.00 0.00 N ATOM 1156 CA THR A 111 -5.808 -3.562 -11.232 1.00 0.00 C ATOM 1157 C THR A 111 -5.947 -5.079 -11.071 1.00 0.00 C ATOM 1158 O THR A 111 -6.325 -5.548 -10.018 1.00 0.00 O ATOM 1159 CB THR A 111 -7.179 -2.912 -11.364 1.00 0.00 C ATOM 1160 OG1 THR A 111 -7.927 -3.135 -10.175 1.00 0.00 O ATOM 1161 CG2 THR A 111 -7.904 -3.528 -12.549 1.00 0.00 C ATOM 0 H THR A 111 -5.620 -2.638 -13.151 1.00 0.00 H new ATOM 0 HA THR A 111 -5.265 -3.216 -10.352 1.00 0.00 H new ATOM 0 HB THR A 111 -7.067 -1.839 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.809 -2.715 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.887 -3.069 -12.652 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.327 -3.357 -13.458 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.019 -4.600 -12.388 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.642 -5.834 -12.104 1.00 0.00 N ATOM 1170 CA VAL A 112 -5.749 -7.336 -12.047 1.00 0.00 C ATOM 1171 C VAL A 112 -6.605 -7.809 -10.864 1.00 0.00 C ATOM 1172 O VAL A 112 -7.787 -8.058 -11.004 1.00 0.00 O ATOM 1173 CB VAL A 112 -4.312 -7.861 -11.917 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -3.691 -7.978 -13.308 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -3.458 -6.912 -11.069 1.00 0.00 C ATOM 0 H VAL A 112 -5.318 -5.469 -13.000 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.241 -7.716 -12.942 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.343 -8.836 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.670 -8.350 -13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -4.279 -8.669 -13.912 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.680 -6.998 -13.785 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -2.445 -7.306 -10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.431 -5.929 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.891 -6.826 -10.072 1.00 0.00 H new ATOM 1185 N GLY A 113 -6.020 -7.936 -9.702 1.00 0.00 N ATOM 1186 CA GLY A 113 -6.804 -8.392 -8.518 1.00 0.00 C ATOM 1187 C GLY A 113 -7.532 -7.204 -7.886 1.00 0.00 C ATOM 1188 O GLY A 113 -7.441 -6.977 -6.696 1.00 0.00 O ATOM 0 H GLY A 113 -5.035 -7.744 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.524 -9.153 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.140 -8.853 -7.787 1.00 0.00 H new ATOM 1192 N ARG A 114 -8.281 -6.470 -8.667 1.00 0.00 N ATOM 1193 CA ARG A 114 -9.047 -5.317 -8.130 1.00 0.00 C ATOM 1194 C ARG A 114 -8.198 -4.479 -7.152 1.00 0.00 C ATOM 1195 O ARG A 114 -7.048 -4.774 -6.900 1.00 0.00 O ATOM 1196 CB ARG A 114 -10.212 -6.004 -7.448 1.00 0.00 C ATOM 1197 CG ARG A 114 -11.018 -5.002 -6.621 1.00 0.00 C ATOM 1198 CD ARG A 114 -12.350 -5.625 -6.204 1.00 0.00 C ATOM 1199 NE ARG A 114 -12.648 -5.020 -4.877 1.00 0.00 N ATOM 1200 CZ ARG A 114 -13.479 -4.018 -4.788 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -13.140 -2.845 -5.250 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -14.653 -4.192 -4.243 1.00 0.00 N ATOM 0 H ARG A 114 -8.393 -6.627 -9.669 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.358 -4.597 -8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -10.856 -6.468 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.844 -6.803 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.452 -4.707 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.196 -4.097 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.135 -5.402 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.276 -6.710 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.202 -5.389 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.225 -2.711 -5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.790 -2.062 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.919 -5.110 -3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.304 -3.410 -4.173 1.00 0.00 H new ATOM 1216 N ALA A 115 -8.748 -3.417 -6.621 1.00 0.00 N ATOM 1217 CA ALA A 115 -7.965 -2.559 -5.683 1.00 0.00 C ATOM 1218 C ALA A 115 -8.864 -2.047 -4.553 1.00 0.00 C ATOM 1219 O ALA A 115 -9.698 -1.186 -4.755 1.00 0.00 O ATOM 1220 CB ALA A 115 -7.473 -1.393 -6.543 1.00 0.00 C ATOM 0 H ALA A 115 -9.704 -3.108 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.145 -3.101 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.886 -0.710 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.854 -1.775 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.329 -0.861 -6.959 1.00 0.00 H new ATOM 1226 N TYR A 116 -8.695 -2.558 -3.360 1.00 0.00 N ATOM 1227 CA TYR A 116 -9.538 -2.083 -2.222 1.00 0.00 C ATOM 1228 C TYR A 116 -9.147 -0.647 -1.870 1.00 0.00 C ATOM 1229 O TYR A 116 -8.019 -0.374 -1.511 1.00 0.00 O ATOM 1230 CB TYR A 116 -9.217 -3.027 -1.060 1.00 0.00 C ATOM 1231 CG TYR A 116 -10.267 -2.884 0.020 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -11.560 -3.377 -0.191 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -9.947 -2.262 1.237 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -12.532 -3.251 0.810 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -10.920 -2.136 2.238 1.00 0.00 C ATOM 1236 CZ TYR A 116 -12.212 -2.631 2.024 1.00 0.00 C ATOM 1237 OH TYR A 116 -13.171 -2.509 3.012 1.00 0.00 O ATOM 0 H TYR A 116 -8.013 -3.280 -3.126 1.00 0.00 H new ATOM 0 HA TYR A 116 -10.602 -2.088 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -9.184 -4.057 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.231 -2.798 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.809 -3.855 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.950 -1.880 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -13.529 -3.632 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.673 -1.657 3.174 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.784 -2.056 3.790 1.00 0.00 H new ATOM 1247 N THR A 117 -10.060 0.278 -1.989 1.00 0.00 N ATOM 1248 CA THR A 117 -9.715 1.695 -1.681 1.00 0.00 C ATOM 1249 C THR A 117 -9.823 1.980 -0.182 1.00 0.00 C ATOM 1250 O THR A 117 -10.503 1.287 0.551 1.00 0.00 O ATOM 1251 CB THR A 117 -10.722 2.530 -2.464 1.00 0.00 C ATOM 1252 OG1 THR A 117 -10.493 3.911 -2.213 1.00 0.00 O ATOM 1253 CG2 THR A 117 -12.125 2.156 -2.022 1.00 0.00 C ATOM 0 H THR A 117 -11.023 0.116 -2.284 1.00 0.00 H new ATOM 0 HA THR A 117 -8.687 1.926 -1.958 1.00 0.00 H new ATOM 0 HB THR A 117 -10.610 2.338 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.140 4.447 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.852 2.749 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.297 1.097 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.235 2.353 -0.956 1.00 0.00 H new ATOM 1261 N LEU A 118 -9.149 3.002 0.272 1.00 0.00 N ATOM 1262 CA LEU A 118 -9.190 3.356 1.718 1.00 0.00 C ATOM 1263 C LEU A 118 -9.374 4.853 1.891 1.00 0.00 C ATOM 1264 O LEU A 118 -8.603 5.501 2.567 1.00 0.00 O ATOM 1265 CB LEU A 118 -7.840 2.909 2.284 1.00 0.00 C ATOM 1266 CG LEU A 118 -8.017 2.443 3.730 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -7.067 1.278 4.008 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -7.698 3.598 4.684 1.00 0.00 C ATOM 0 H LEU A 118 -8.567 3.611 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.022 2.875 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.431 2.100 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.126 3.732 2.242 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.047 2.120 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.192 0.945 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.293 0.455 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.038 1.603 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.825 3.265 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.669 3.922 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.374 4.430 4.486 1.00 0.00 H new ATOM 1280 N GLY A 119 -10.398 5.406 1.295 1.00 0.00 N ATOM 1281 CA GLY A 119 -10.648 6.867 1.436 1.00 0.00 C ATOM 1282 C GLY A 119 -9.515 7.667 0.811 1.00 0.00 C ATOM 1283 O GLY A 119 -9.715 8.487 -0.063 1.00 0.00 O ATOM 0 H GLY A 119 -11.072 4.906 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -11.592 7.128 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.744 7.125 2.491 1.00 0.00 H new ATOM 1287 N THR A 120 -8.330 7.440 1.275 1.00 0.00 N ATOM 1288 CA THR A 120 -7.158 8.194 0.741 1.00 0.00 C ATOM 1289 C THR A 120 -6.188 7.264 0.006 1.00 0.00 C ATOM 1290 O THR A 120 -5.422 7.700 -0.831 1.00 0.00 O ATOM 1291 CB THR A 120 -6.476 8.802 1.971 1.00 0.00 C ATOM 1292 OG1 THR A 120 -7.290 8.598 3.119 1.00 0.00 O ATOM 1293 CG2 THR A 120 -6.265 10.302 1.756 1.00 0.00 C ATOM 0 H THR A 120 -8.112 6.762 2.006 1.00 0.00 H new ATOM 0 HA THR A 120 -7.468 8.951 0.021 1.00 0.00 H new ATOM 0 HB THR A 120 -5.510 8.319 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.851 8.986 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 120 -5.780 10.731 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.636 10.459 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.229 10.787 1.602 1.00 0.00 H new ATOM 1301 N LYS A 121 -6.195 5.996 0.312 1.00 0.00 N ATOM 1302 CA LYS A 121 -5.246 5.072 -0.382 1.00 0.00 C ATOM 1303 C LYS A 121 -5.935 3.751 -0.737 1.00 0.00 C ATOM 1304 O LYS A 121 -6.782 3.273 -0.013 1.00 0.00 O ATOM 1305 CB LYS A 121 -4.122 4.842 0.636 1.00 0.00 C ATOM 1306 CG LYS A 121 -3.381 3.534 0.327 1.00 0.00 C ATOM 1307 CD LYS A 121 -2.393 3.224 1.456 1.00 0.00 C ATOM 1308 CE LYS A 121 -2.313 1.710 1.666 1.00 0.00 C ATOM 1309 NZ LYS A 121 -2.361 1.522 3.144 1.00 0.00 N ATOM 0 H LYS A 121 -6.807 5.561 1.003 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.878 5.485 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.423 5.678 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.537 4.803 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.094 2.717 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.850 3.620 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.408 3.620 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.712 3.713 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.142 1.199 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.394 1.301 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.311 0.507 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.556 2.013 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.250 1.914 3.515 1.00 0.00 H new ATOM 1323 N PHE A 122 -5.555 3.138 -1.828 1.00 0.00 N ATOM 1324 CA PHE A 122 -6.173 1.831 -2.191 1.00 0.00 C ATOM 1325 C PHE A 122 -5.097 0.742 -2.163 1.00 0.00 C ATOM 1326 O PHE A 122 -3.953 0.999 -1.840 1.00 0.00 O ATOM 1327 CB PHE A 122 -6.780 1.970 -3.606 1.00 0.00 C ATOM 1328 CG PHE A 122 -6.061 3.008 -4.442 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -6.124 4.363 -4.099 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -5.359 2.609 -5.585 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -5.477 5.316 -4.893 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -4.717 3.562 -6.382 1.00 0.00 C ATOM 1333 CZ PHE A 122 -4.773 4.917 -6.036 1.00 0.00 C ATOM 0 H PHE A 122 -4.849 3.484 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 122 -6.956 1.555 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.738 1.006 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.833 2.240 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.672 4.673 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.313 1.564 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.521 6.361 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.178 3.252 -7.265 1.00 0.00 H new ATOM 0 HZ PHE A 122 -4.274 5.653 -6.649 1.00 0.00 H new ATOM 1343 N THR A 123 -5.444 -0.469 -2.495 1.00 0.00 N ATOM 1344 CA THR A 123 -4.441 -1.550 -2.481 1.00 0.00 C ATOM 1345 C THR A 123 -4.867 -2.683 -3.417 1.00 0.00 C ATOM 1346 O THR A 123 -6.028 -3.022 -3.508 1.00 0.00 O ATOM 1347 CB THR A 123 -4.370 -2.014 -1.018 1.00 0.00 C ATOM 1348 OG1 THR A 123 -3.064 -2.503 -0.743 1.00 0.00 O ATOM 1349 CG2 THR A 123 -5.395 -3.122 -0.755 1.00 0.00 C ATOM 0 H THR A 123 -6.384 -0.750 -2.775 1.00 0.00 H new ATOM 0 HA THR A 123 -3.465 -1.219 -2.835 1.00 0.00 H new ATOM 0 HB THR A 123 -4.595 -1.168 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.668 -2.859 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.330 -3.438 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.398 -2.746 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.187 -3.972 -1.406 1.00 0.00 H new ATOM 1357 N ILE A 124 -3.934 -3.263 -4.115 1.00 0.00 N ATOM 1358 CA ILE A 124 -4.286 -4.364 -5.051 1.00 0.00 C ATOM 1359 C ILE A 124 -3.730 -5.698 -4.538 1.00 0.00 C ATOM 1360 O ILE A 124 -2.568 -5.810 -4.201 1.00 0.00 O ATOM 1361 CB ILE A 124 -3.623 -3.969 -6.371 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -4.326 -2.734 -6.947 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -3.734 -5.124 -7.367 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -3.920 -1.484 -6.159 1.00 0.00 C ATOM 0 H ILE A 124 -2.943 -3.023 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.363 -4.498 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.572 -3.742 -6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.063 -2.613 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.407 -2.867 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.261 -4.840 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -3.235 -6.004 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.785 -5.352 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -4.424 -0.612 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.206 -1.604 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.841 -1.346 -6.227 1.00 0.00 H new ATOM 1376 N THR A 125 -4.553 -6.709 -4.473 1.00 0.00 N ATOM 1377 CA THR A 125 -4.073 -8.032 -3.979 1.00 0.00 C ATOM 1378 C THR A 125 -4.777 -9.168 -4.726 1.00 0.00 C ATOM 1379 O THR A 125 -5.446 -8.951 -5.717 1.00 0.00 O ATOM 1380 CB THR A 125 -4.434 -8.062 -2.493 1.00 0.00 C ATOM 1381 OG1 THR A 125 -4.264 -9.381 -1.993 1.00 0.00 O ATOM 1382 CG2 THR A 125 -5.891 -7.632 -2.311 1.00 0.00 C ATOM 0 H THR A 125 -5.537 -6.677 -4.740 1.00 0.00 H new ATOM 0 HA THR A 125 -3.003 -8.164 -4.139 1.00 0.00 H new ATOM 0 HB THR A 125 -3.784 -7.378 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.315 -9.622 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 125 -6.147 -7.654 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.023 -6.621 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.543 -8.315 -2.856 1.00 0.00 H new ATOM 1390 N SER A 126 -4.627 -10.377 -4.260 1.00 0.00 N ATOM 1391 CA SER A 126 -5.284 -11.527 -4.947 1.00 0.00 C ATOM 1392 C SER A 126 -6.242 -12.248 -3.994 1.00 0.00 C ATOM 1393 O SER A 126 -7.414 -11.934 -3.922 1.00 0.00 O ATOM 1394 CB SER A 126 -4.137 -12.453 -5.354 1.00 0.00 C ATOM 1395 OG SER A 126 -4.644 -13.763 -5.567 1.00 0.00 O ATOM 0 H SER A 126 -4.079 -10.619 -3.435 1.00 0.00 H new ATOM 0 HA SER A 126 -5.877 -11.206 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.660 -12.083 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.373 -12.468 -4.576 1.00 0.00 H new ATOM 0 HG SER A 126 -4.070 -14.414 -5.112 1.00 0.00 H new ATOM 1401 N GLU A 127 -5.751 -13.217 -3.269 1.00 0.00 N ATOM 1402 CA GLU A 127 -6.632 -13.966 -2.326 1.00 0.00 C ATOM 1403 C GLU A 127 -7.371 -12.998 -1.399 1.00 0.00 C ATOM 1404 O GLU A 127 -6.994 -11.852 -1.251 1.00 0.00 O ATOM 1405 CB GLU A 127 -5.685 -14.861 -1.523 1.00 0.00 C ATOM 1406 CG GLU A 127 -4.895 -15.759 -2.478 1.00 0.00 C ATOM 1407 CD GLU A 127 -4.668 -17.125 -1.827 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -4.590 -17.175 -0.611 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -4.573 -18.098 -2.557 1.00 0.00 O ATOM 0 H GLU A 127 -4.778 -13.523 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.394 -14.543 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.002 -14.249 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.253 -15.471 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.438 -15.877 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.938 -15.297 -2.720 1.00 0.00 H new ATOM 1416 N LEU A 128 -8.431 -13.454 -0.785 1.00 0.00 N ATOM 1417 CA LEU A 128 -9.212 -12.582 0.126 1.00 0.00 C ATOM 1418 C LEU A 128 -8.284 -11.790 1.053 1.00 0.00 C ATOM 1419 O LEU A 128 -7.085 -11.985 1.065 1.00 0.00 O ATOM 1420 CB LEU A 128 -10.083 -13.540 0.940 1.00 0.00 C ATOM 1421 CG LEU A 128 -11.100 -14.217 0.022 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -11.603 -15.505 0.674 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -12.280 -13.271 -0.210 1.00 0.00 C ATOM 0 H LEU A 128 -8.789 -14.404 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.803 -11.849 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -9.459 -14.291 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.599 -12.995 1.731 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.627 -14.455 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.328 -15.986 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.763 -16.179 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.077 -15.269 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -13.008 -13.751 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.751 -13.035 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.924 -12.352 -0.675 1.00 0.00 H new TER 1435 LEU A 128