USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl 135:sc= -0.245 (180deg=-0.581) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 1.24 K(o=1,f=-8!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0881 (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 10 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 GLN : amide:sc= 1.24 K(o=1.2,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.15) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.78 K(o=0.78,f=-0.92) USER MOD Single : A 45 THR OG1 : rot -79:sc= 0.205 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 2.46 (180deg=1.67) USER MOD Single : A 53 THR OG1 : rot -53:sc= 0.489 USER MOD Single : A 55 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -147:sc= -0.142 (180deg=-1.85!) USER MOD Single : A 79 MET CE :methyl 158:sc= -0.532 (180deg=-1.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.22) USER MOD Single : A 90 ASN : amide:sc= 0.309 K(o=0.31,f=-3.5!) USER MOD Single : A 91 LYS NZ :NH3+ -108:sc= 2.46 (180deg=-0.0495) USER MOD Single : A 93 SER OG : rot 170:sc= 0.0428 USER MOD Single : A 95 HIS : no HD1:sc= 0.462 K(o=0.46,f=-2.9!) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.00242 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.728 8.614 0.002 1.00 0.00 N ATOM 2 CA GLY A 1 19.271 8.865 -0.077 1.00 0.00 C ATOM 3 C GLY A 1 18.690 8.446 -1.420 1.00 0.00 C ATOM 4 O GLY A 1 19.403 7.939 -2.288 1.00 0.00 O ATOM 0 H1 GLY A 1 20.924 7.944 0.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.060 8.212 -0.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.225 9.509 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.766 8.321 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.077 9.925 0.087 1.00 0.00 H new ATOM 10 N SER A 2 17.389 8.676 -1.619 1.00 0.00 N ATOM 11 CA SER A 2 16.624 8.242 -2.808 1.00 0.00 C ATOM 12 C SER A 2 17.082 8.860 -4.141 1.00 0.00 C ATOM 13 O SER A 2 16.749 8.335 -5.205 1.00 0.00 O ATOM 14 CB SER A 2 15.132 8.519 -2.588 1.00 0.00 C ATOM 15 OG SER A 2 14.913 9.896 -2.313 1.00 0.00 O ATOM 0 H SER A 2 16.817 9.182 -0.943 1.00 0.00 H new ATOM 0 HA SER A 2 16.817 7.174 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.568 8.225 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.763 7.914 -1.760 1.00 0.00 H new ATOM 0 HG SER A 2 13.955 10.054 -2.177 1.00 0.00 H new ATOM 21 N SER A 3 17.892 9.925 -4.105 1.00 0.00 N ATOM 22 CA SER A 3 18.553 10.530 -5.275 1.00 0.00 C ATOM 23 C SER A 3 19.627 9.634 -5.923 1.00 0.00 C ATOM 24 O SER A 3 20.045 9.904 -7.052 1.00 0.00 O ATOM 25 CB SER A 3 19.201 11.864 -4.879 1.00 0.00 C ATOM 26 OG SER A 3 18.253 12.730 -4.268 1.00 0.00 O ATOM 0 H SER A 3 18.115 10.407 -3.234 1.00 0.00 H new ATOM 0 HA SER A 3 17.767 10.674 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.027 11.681 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.621 12.345 -5.762 1.00 0.00 H new ATOM 0 HG SER A 3 18.690 13.572 -4.023 1.00 0.00 H new ATOM 32 N GLY A 4 20.082 8.574 -5.239 1.00 0.00 N ATOM 33 CA GLY A 4 21.011 7.577 -5.790 1.00 0.00 C ATOM 34 C GLY A 4 20.412 6.780 -6.959 1.00 0.00 C ATOM 35 O GLY A 4 19.196 6.588 -7.037 1.00 0.00 O ATOM 0 H GLY A 4 19.811 8.383 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.917 8.080 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.305 6.886 -5.000 1.00 0.00 H new ATOM 39 N SER A 5 21.263 6.291 -7.867 1.00 0.00 N ATOM 40 CA SER A 5 20.858 5.693 -9.157 1.00 0.00 C ATOM 41 C SER A 5 19.937 4.465 -9.044 1.00 0.00 C ATOM 42 O SER A 5 19.148 4.201 -9.953 1.00 0.00 O ATOM 43 CB SER A 5 22.106 5.298 -9.958 1.00 0.00 C ATOM 44 OG SER A 5 22.985 6.406 -10.098 1.00 0.00 O ATOM 0 H SER A 5 22.274 6.297 -7.729 1.00 0.00 H new ATOM 0 HA SER A 5 20.277 6.466 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.622 4.479 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.812 4.934 -10.942 1.00 0.00 H new ATOM 0 HG SER A 5 23.775 6.134 -10.610 1.00 0.00 H new ATOM 50 N SER A 6 19.999 3.732 -7.927 1.00 0.00 N ATOM 51 CA SER A 6 19.146 2.564 -7.636 1.00 0.00 C ATOM 52 C SER A 6 17.766 2.922 -7.052 1.00 0.00 C ATOM 53 O SER A 6 16.937 2.030 -6.858 1.00 0.00 O ATOM 54 CB SER A 6 19.875 1.616 -6.670 1.00 0.00 C ATOM 55 OG SER A 6 21.171 1.280 -7.148 1.00 0.00 O ATOM 0 H SER A 6 20.660 3.936 -7.178 1.00 0.00 H new ATOM 0 HA SER A 6 18.960 2.081 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.958 2.087 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.288 0.707 -6.538 1.00 0.00 H new ATOM 0 HG SER A 6 21.609 0.678 -6.511 1.00 0.00 H new ATOM 61 N GLY A 7 17.513 4.197 -6.733 1.00 0.00 N ATOM 62 CA GLY A 7 16.324 4.663 -6.006 1.00 0.00 C ATOM 63 C GLY A 7 16.143 4.014 -4.619 1.00 0.00 C ATOM 64 O GLY A 7 15.065 3.470 -4.357 1.00 0.00 O ATOM 0 H GLY A 7 18.148 4.956 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.386 5.744 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.439 4.460 -6.609 1.00 0.00 H new ATOM 68 N PRO A 8 17.174 3.996 -3.745 1.00 0.00 N ATOM 69 CA PRO A 8 17.161 3.218 -2.504 1.00 0.00 C ATOM 70 C PRO A 8 16.166 3.744 -1.453 1.00 0.00 C ATOM 71 O PRO A 8 15.891 4.944 -1.363 1.00 0.00 O ATOM 72 CB PRO A 8 18.604 3.256 -1.988 1.00 0.00 C ATOM 73 CG PRO A 8 19.109 4.604 -2.497 1.00 0.00 C ATOM 74 CD PRO A 8 18.438 4.713 -3.865 1.00 0.00 C ATOM 0 HA PRO A 8 16.817 2.202 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.647 3.192 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.196 2.428 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.819 5.421 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 8 20.196 4.627 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.272 5.755 -4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.063 4.276 -4.643 1.00 0.00 H new ATOM 82 N ILE A 9 15.661 2.826 -0.621 1.00 0.00 N ATOM 83 CA ILE A 9 14.771 3.099 0.520 1.00 0.00 C ATOM 84 C ILE A 9 15.570 3.408 1.803 1.00 0.00 C ATOM 85 O ILE A 9 16.692 2.931 1.982 1.00 0.00 O ATOM 86 CB ILE A 9 13.758 1.935 0.679 1.00 0.00 C ATOM 87 CG1 ILE A 9 12.586 2.321 1.610 1.00 0.00 C ATOM 88 CG2 ILE A 9 14.438 0.630 1.139 1.00 0.00 C ATOM 89 CD1 ILE A 9 11.409 1.336 1.564 1.00 0.00 C ATOM 0 H ILE A 9 15.868 1.833 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 9 14.194 4.003 0.324 1.00 0.00 H new ATOM 0 HB ILE A 9 13.342 1.745 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.954 2.386 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.228 3.314 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 9 13.689 -0.156 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.185 0.330 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.921 0.792 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.626 1.673 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.014 1.288 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.751 0.346 1.867 1.00 0.00 H new ATOM 101 N SER A 10 14.984 4.188 2.715 1.00 0.00 N ATOM 102 CA SER A 10 15.578 4.583 4.008 1.00 0.00 C ATOM 103 C SER A 10 15.447 3.532 5.127 1.00 0.00 C ATOM 104 O SER A 10 15.942 3.748 6.233 1.00 0.00 O ATOM 105 CB SER A 10 14.976 5.924 4.441 1.00 0.00 C ATOM 106 OG SER A 10 13.560 5.837 4.468 1.00 0.00 O ATOM 0 H SER A 10 14.052 4.578 2.575 1.00 0.00 H new ATOM 0 HA SER A 10 16.652 4.674 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.350 6.198 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.287 6.710 3.753 1.00 0.00 H new ATOM 0 HG SER A 10 13.185 6.698 4.747 1.00 0.00 H new ATOM 112 N GLU A 11 14.800 2.391 4.847 1.00 0.00 N ATOM 113 CA GLU A 11 14.655 1.199 5.709 1.00 0.00 C ATOM 114 C GLU A 11 14.165 1.451 7.157 1.00 0.00 C ATOM 115 O GLU A 11 14.468 0.681 8.075 1.00 0.00 O ATOM 116 CB GLU A 11 15.876 0.259 5.588 1.00 0.00 C ATOM 117 CG GLU A 11 17.197 0.804 6.152 1.00 0.00 C ATOM 118 CD GLU A 11 18.290 -0.282 6.134 1.00 0.00 C ATOM 119 OE1 GLU A 11 18.482 -0.979 7.161 1.00 0.00 O ATOM 120 OE2 GLU A 11 18.979 -0.443 5.096 1.00 0.00 O ATOM 0 H GLU A 11 14.330 2.264 3.951 1.00 0.00 H new ATOM 0 HA GLU A 11 13.800 0.660 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.643 -0.676 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.024 0.019 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.522 1.663 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.044 1.156 7.172 1.00 0.00 H new ATOM 127 N ARG A 12 13.362 2.505 7.356 1.00 0.00 N ATOM 128 CA ARG A 12 12.795 2.942 8.648 1.00 0.00 C ATOM 129 C ARG A 12 11.271 3.081 8.602 1.00 0.00 C ATOM 130 O ARG A 12 10.709 3.346 7.540 1.00 0.00 O ATOM 131 CB ARG A 12 13.506 4.238 9.108 1.00 0.00 C ATOM 132 CG ARG A 12 13.308 5.463 8.190 1.00 0.00 C ATOM 133 CD ARG A 12 12.053 6.287 8.517 1.00 0.00 C ATOM 134 NE ARG A 12 11.714 7.222 7.427 1.00 0.00 N ATOM 135 CZ ARG A 12 11.020 6.943 6.336 1.00 0.00 C ATOM 136 NH1 ARG A 12 10.525 5.773 6.071 1.00 0.00 N ATOM 137 NH2 ARG A 12 10.787 7.840 5.428 1.00 0.00 N ATOM 0 H ARG A 12 13.074 3.108 6.586 1.00 0.00 H new ATOM 0 HA ARG A 12 12.982 2.168 9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.151 4.492 10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.574 4.036 9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.184 6.107 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.250 5.124 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.213 5.615 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.215 6.846 9.439 1.00 0.00 H new ATOM 0 HE ARG A 12 12.049 8.181 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.662 5.001 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.999 5.625 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.142 8.789 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.249 7.596 4.597 1.00 0.00 H new ATOM 151 N ASN A 13 10.620 2.992 9.764 1.00 0.00 N ATOM 152 CA ASN A 13 9.169 3.146 9.960 1.00 0.00 C ATOM 153 C ASN A 13 8.309 2.293 8.999 1.00 0.00 C ATOM 154 O ASN A 13 7.403 2.789 8.323 1.00 0.00 O ATOM 155 CB ASN A 13 8.790 4.642 10.000 1.00 0.00 C ATOM 156 CG ASN A 13 7.424 4.901 10.622 1.00 0.00 C ATOM 157 OD1 ASN A 13 6.723 4.011 11.086 1.00 0.00 O ATOM 158 ND2 ASN A 13 7.015 6.148 10.685 1.00 0.00 N ATOM 0 H ASN A 13 11.110 2.802 10.638 1.00 0.00 H new ATOM 0 HA ASN A 13 8.923 2.727 10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.547 5.187 10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.801 5.040 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.119 6.369 11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.594 6.895 10.300 1.00 0.00 H new ATOM 165 N GLN A 14 8.588 0.989 8.946 1.00 0.00 N ATOM 166 CA GLN A 14 7.850 0.009 8.140 1.00 0.00 C ATOM 167 C GLN A 14 6.350 -0.057 8.502 1.00 0.00 C ATOM 168 O GLN A 14 5.530 -0.383 7.647 1.00 0.00 O ATOM 169 CB GLN A 14 8.498 -1.382 8.292 1.00 0.00 C ATOM 170 CG GLN A 14 9.838 -1.575 7.557 1.00 0.00 C ATOM 171 CD GLN A 14 11.076 -0.953 8.212 1.00 0.00 C ATOM 172 OE1 GLN A 14 11.046 -0.308 9.254 1.00 0.00 O ATOM 173 NE2 GLN A 14 12.235 -1.125 7.616 1.00 0.00 N ATOM 0 H GLN A 14 9.354 0.572 9.476 1.00 0.00 H new ATOM 0 HA GLN A 14 7.907 0.335 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.655 -1.576 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.795 -2.132 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.014 -2.645 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.739 -1.161 6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.288 -1.658 6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.081 -0.726 8.022 1.00 0.00 H new ATOM 182 N ASP A 15 5.957 0.327 9.723 1.00 0.00 N ATOM 183 CA ASP A 15 4.547 0.425 10.132 1.00 0.00 C ATOM 184 C ASP A 15 3.784 1.570 9.438 1.00 0.00 C ATOM 185 O ASP A 15 2.566 1.487 9.284 1.00 0.00 O ATOM 186 CB ASP A 15 4.461 0.561 11.658 1.00 0.00 C ATOM 187 CG ASP A 15 4.627 -0.803 12.334 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.602 -1.510 12.490 1.00 0.00 O ATOM 189 OD2 ASP A 15 5.765 -1.183 12.689 1.00 0.00 O ATOM 0 H ASP A 15 6.613 0.581 10.462 1.00 0.00 H new ATOM 0 HA ASP A 15 4.058 -0.495 9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.234 1.244 12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.501 0.995 11.936 1.00 0.00 H new ATOM 194 N ALA A 16 4.481 2.606 8.962 1.00 0.00 N ATOM 195 CA ALA A 16 3.918 3.640 8.092 1.00 0.00 C ATOM 196 C ALA A 16 3.946 3.243 6.598 1.00 0.00 C ATOM 197 O ALA A 16 3.506 4.013 5.745 1.00 0.00 O ATOM 198 CB ALA A 16 4.625 4.968 8.384 1.00 0.00 C ATOM 0 H ALA A 16 5.468 2.751 9.174 1.00 0.00 H new ATOM 0 HA ALA A 16 2.858 3.759 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.215 5.747 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.472 5.240 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.692 4.862 8.190 1.00 0.00 H new ATOM 204 N THR A 17 4.423 2.039 6.261 1.00 0.00 N ATOM 205 CA THR A 17 4.318 1.449 4.917 1.00 0.00 C ATOM 206 C THR A 17 3.173 0.435 4.887 1.00 0.00 C ATOM 207 O THR A 17 3.029 -0.389 5.793 1.00 0.00 O ATOM 208 CB THR A 17 5.651 0.823 4.462 1.00 0.00 C ATOM 209 OG1 THR A 17 6.699 1.755 4.621 1.00 0.00 O ATOM 210 CG2 THR A 17 5.672 0.421 2.984 1.00 0.00 C ATOM 0 H THR A 17 4.903 1.434 6.927 1.00 0.00 H new ATOM 0 HA THR A 17 4.095 2.244 4.205 1.00 0.00 H new ATOM 0 HB THR A 17 5.771 -0.068 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.543 1.350 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.642 -0.012 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.889 -0.313 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.500 1.302 2.365 1.00 0.00 H new ATOM 218 N VAL A 18 2.352 0.476 3.837 1.00 0.00 N ATOM 219 CA VAL A 18 1.305 -0.521 3.562 1.00 0.00 C ATOM 220 C VAL A 18 1.754 -1.479 2.464 1.00 0.00 C ATOM 221 O VAL A 18 2.485 -1.090 1.555 1.00 0.00 O ATOM 222 CB VAL A 18 -0.066 0.111 3.233 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.500 1.076 4.338 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.107 0.886 1.915 1.00 0.00 C ATOM 0 H VAL A 18 2.393 1.217 3.137 1.00 0.00 H new ATOM 0 HA VAL A 18 1.159 -1.086 4.482 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.741 -0.741 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.468 1.508 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.580 0.536 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.238 1.872 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.106 1.295 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.617 1.700 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.139 0.216 1.091 1.00 0.00 H new ATOM 234 N TYR A 19 1.296 -2.723 2.540 1.00 0.00 N ATOM 235 CA TYR A 19 1.403 -3.751 1.506 1.00 0.00 C ATOM 236 C TYR A 19 0.116 -3.767 0.672 1.00 0.00 C ATOM 237 O TYR A 19 -0.976 -3.603 1.221 1.00 0.00 O ATOM 238 CB TYR A 19 1.641 -5.108 2.188 1.00 0.00 C ATOM 239 CG TYR A 19 1.402 -6.316 1.298 1.00 0.00 C ATOM 240 CD1 TYR A 19 0.152 -6.969 1.326 1.00 0.00 C ATOM 241 CD2 TYR A 19 2.415 -6.776 0.436 1.00 0.00 C ATOM 242 CE1 TYR A 19 -0.082 -8.088 0.501 1.00 0.00 C ATOM 243 CE2 TYR A 19 2.188 -7.902 -0.379 1.00 0.00 C ATOM 244 CZ TYR A 19 0.940 -8.560 -0.352 1.00 0.00 C ATOM 245 OH TYR A 19 0.734 -9.650 -1.142 1.00 0.00 O ATOM 0 H TYR A 19 0.812 -3.063 3.371 1.00 0.00 H new ATOM 0 HA TYR A 19 2.238 -3.542 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.667 -5.141 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.990 -5.181 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.628 -6.611 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.366 -6.266 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.041 -8.584 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.972 -8.263 -1.027 1.00 0.00 H new ATOM 0 HH TYR A 19 1.543 -9.833 -1.664 1.00 0.00 H new ATOM 255 N VAL A 20 0.238 -3.992 -0.638 1.00 0.00 N ATOM 256 CA VAL A 20 -0.871 -4.107 -1.597 1.00 0.00 C ATOM 257 C VAL A 20 -0.660 -5.351 -2.461 1.00 0.00 C ATOM 258 O VAL A 20 0.274 -5.398 -3.260 1.00 0.00 O ATOM 259 CB VAL A 20 -0.982 -2.854 -2.493 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.256 -2.936 -3.343 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.012 -1.542 -1.698 1.00 0.00 C ATOM 0 H VAL A 20 1.150 -4.104 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.802 -4.193 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.089 -2.843 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.330 -2.050 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.218 -3.826 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.127 -2.990 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.091 -0.701 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.871 -1.543 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.096 -1.449 -1.115 1.00 0.00 H new ATOM 271 N GLY A 21 -1.525 -6.357 -2.324 1.00 0.00 N ATOM 272 CA GLY A 21 -1.480 -7.603 -3.098 1.00 0.00 C ATOM 273 C GLY A 21 -2.638 -7.736 -4.090 1.00 0.00 C ATOM 274 O GLY A 21 -3.756 -7.308 -3.800 1.00 0.00 O ATOM 0 H GLY A 21 -2.296 -6.329 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.536 -7.652 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.498 -8.450 -2.413 1.00 0.00 H new ATOM 278 N GLY A 22 -2.379 -8.356 -5.245 1.00 0.00 N ATOM 279 CA GLY A 22 -3.380 -8.646 -6.285 1.00 0.00 C ATOM 280 C GLY A 22 -3.411 -7.617 -7.422 1.00 0.00 C ATOM 281 O GLY A 22 -4.469 -7.345 -7.991 1.00 0.00 O ATOM 0 H GLY A 22 -1.444 -8.680 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.178 -9.631 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.366 -8.693 -5.823 1.00 0.00 H new ATOM 285 N LEU A 23 -2.261 -7.009 -7.727 1.00 0.00 N ATOM 286 CA LEU A 23 -2.112 -5.916 -8.683 1.00 0.00 C ATOM 287 C LEU A 23 -2.236 -6.416 -10.125 1.00 0.00 C ATOM 288 O LEU A 23 -1.774 -7.509 -10.462 1.00 0.00 O ATOM 289 CB LEU A 23 -0.750 -5.230 -8.475 1.00 0.00 C ATOM 290 CG LEU A 23 -0.545 -4.580 -7.098 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.834 -3.930 -7.059 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.599 -3.516 -6.801 1.00 0.00 C ATOM 0 H LEU A 23 -1.376 -7.277 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.913 -5.197 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.037 -5.968 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.626 -4.465 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.635 -5.361 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.990 -3.465 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.599 -4.689 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.900 -3.171 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.413 -3.085 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.548 -2.732 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.590 -3.971 -6.817 1.00 0.00 H new ATOM 304 N ASP A 24 -2.814 -5.585 -10.990 1.00 0.00 N ATOM 305 CA ASP A 24 -2.918 -5.870 -12.420 1.00 0.00 C ATOM 306 C ASP A 24 -1.649 -5.463 -13.195 1.00 0.00 C ATOM 307 O ASP A 24 -0.901 -4.584 -12.768 1.00 0.00 O ATOM 308 CB ASP A 24 -4.171 -5.179 -12.979 1.00 0.00 C ATOM 309 CG ASP A 24 -4.391 -5.563 -14.440 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.116 -4.723 -15.326 1.00 0.00 O ATOM 311 OD2 ASP A 24 -4.769 -6.730 -14.692 1.00 0.00 O ATOM 0 H ASP A 24 -3.225 -4.692 -10.718 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.011 -6.948 -12.552 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.042 -5.461 -12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.065 -4.098 -12.894 1.00 0.00 H new ATOM 316 N GLU A 25 -1.408 -6.052 -14.370 1.00 0.00 N ATOM 317 CA GLU A 25 -0.256 -5.726 -15.230 1.00 0.00 C ATOM 318 C GLU A 25 -0.185 -4.247 -15.672 1.00 0.00 C ATOM 319 O GLU A 25 0.899 -3.764 -16.010 1.00 0.00 O ATOM 320 CB GLU A 25 -0.225 -6.676 -16.442 1.00 0.00 C ATOM 321 CG GLU A 25 -1.418 -6.521 -17.397 1.00 0.00 C ATOM 322 CD GLU A 25 -1.306 -7.503 -18.578 1.00 0.00 C ATOM 323 OE1 GLU A 25 -0.736 -7.131 -19.633 1.00 0.00 O ATOM 324 OE2 GLU A 25 -1.790 -8.657 -18.466 1.00 0.00 O ATOM 0 H GLU A 25 -2.011 -6.777 -14.759 1.00 0.00 H new ATOM 0 HA GLU A 25 0.635 -5.874 -14.620 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.696 -6.505 -16.999 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.194 -7.704 -16.082 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.348 -6.700 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.459 -5.498 -17.772 1.00 0.00 H new ATOM 331 N LYS A 26 -1.306 -3.506 -15.629 1.00 0.00 N ATOM 332 CA LYS A 26 -1.368 -2.058 -15.907 1.00 0.00 C ATOM 333 C LYS A 26 -0.956 -1.163 -14.721 1.00 0.00 C ATOM 334 O LYS A 26 -0.830 0.051 -14.893 1.00 0.00 O ATOM 335 CB LYS A 26 -2.775 -1.704 -16.422 1.00 0.00 C ATOM 336 CG LYS A 26 -3.076 -2.384 -17.769 1.00 0.00 C ATOM 337 CD LYS A 26 -4.433 -1.972 -18.359 1.00 0.00 C ATOM 338 CE LYS A 26 -5.651 -2.345 -17.501 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.785 -3.812 -17.312 1.00 0.00 N ATOM 0 H LYS A 26 -2.215 -3.905 -15.395 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.623 -1.848 -16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.519 -2.009 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.861 -0.623 -16.533 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.287 -2.136 -18.479 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.057 -3.466 -17.636 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.433 -0.893 -18.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.542 -2.435 -19.340 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.567 -1.863 -16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.555 -1.958 -17.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.793 -4.068 -17.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.320 -4.307 -18.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.336 -4.089 -16.416 1.00 0.00 H new ATOM 353 N VAL A 27 -0.740 -1.724 -13.527 1.00 0.00 N ATOM 354 CA VAL A 27 -0.303 -0.988 -12.323 1.00 0.00 C ATOM 355 C VAL A 27 1.198 -0.664 -12.375 1.00 0.00 C ATOM 356 O VAL A 27 2.008 -1.526 -12.724 1.00 0.00 O ATOM 357 CB VAL A 27 -0.648 -1.767 -11.035 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.184 -1.041 -9.768 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.163 -1.991 -10.910 1.00 0.00 C ATOM 0 H VAL A 27 -0.865 -2.723 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.848 -0.044 -12.305 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.123 -2.718 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.451 -1.632 -8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.897 -0.908 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.668 -0.066 -9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.375 -2.542 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.672 -1.028 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.518 -2.563 -11.767 1.00 0.00 H new ATOM 369 N SER A 28 1.564 0.555 -11.959 1.00 0.00 N ATOM 370 CA SER A 28 2.960 1.005 -11.788 1.00 0.00 C ATOM 371 C SER A 28 3.150 1.762 -10.465 1.00 0.00 C ATOM 372 O SER A 28 2.182 2.236 -9.872 1.00 0.00 O ATOM 373 CB SER A 28 3.381 1.905 -12.961 1.00 0.00 C ATOM 374 OG SER A 28 3.291 1.220 -14.202 1.00 0.00 O ATOM 0 H SER A 28 0.883 1.278 -11.725 1.00 0.00 H new ATOM 0 HA SER A 28 3.590 0.116 -11.768 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.747 2.791 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.404 2.249 -12.808 1.00 0.00 H new ATOM 0 HG SER A 28 3.564 1.820 -14.927 1.00 0.00 H new ATOM 380 N GLU A 29 4.390 1.937 -9.999 1.00 0.00 N ATOM 381 CA GLU A 29 4.677 2.651 -8.741 1.00 0.00 C ATOM 382 C GLU A 29 4.109 4.090 -8.689 1.00 0.00 C ATOM 383 O GLU A 29 3.487 4.429 -7.678 1.00 0.00 O ATOM 384 CB GLU A 29 6.195 2.642 -8.468 1.00 0.00 C ATOM 385 CG GLU A 29 6.648 1.363 -7.750 1.00 0.00 C ATOM 386 CD GLU A 29 7.966 0.797 -8.309 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.954 0.675 -7.547 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.009 0.410 -9.503 1.00 0.00 O ATOM 0 H GLU A 29 5.222 1.592 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 29 4.157 2.110 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.733 2.737 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.459 3.509 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.770 1.573 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.868 0.607 -7.838 1.00 0.00 H new ATOM 395 N PRO A 30 4.194 4.924 -9.752 1.00 0.00 N ATOM 396 CA PRO A 30 3.550 6.242 -9.766 1.00 0.00 C ATOM 397 C PRO A 30 2.021 6.195 -9.617 1.00 0.00 C ATOM 398 O PRO A 30 1.438 7.120 -9.049 1.00 0.00 O ATOM 399 CB PRO A 30 3.955 6.889 -11.095 1.00 0.00 C ATOM 400 CG PRO A 30 5.281 6.208 -11.425 1.00 0.00 C ATOM 401 CD PRO A 30 5.041 4.786 -10.928 1.00 0.00 C ATOM 0 HA PRO A 30 3.881 6.818 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.209 6.716 -11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.070 7.969 -10.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.499 6.235 -12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.120 6.682 -10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.556 4.180 -11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.981 4.293 -10.679 1.00 0.00 H new ATOM 409 N LEU A 31 1.365 5.109 -10.059 1.00 0.00 N ATOM 410 CA LEU A 31 -0.065 4.899 -9.821 1.00 0.00 C ATOM 411 C LEU A 31 -0.317 4.661 -8.334 1.00 0.00 C ATOM 412 O LEU A 31 -1.134 5.352 -7.735 1.00 0.00 O ATOM 413 CB LEU A 31 -0.590 3.711 -10.647 1.00 0.00 C ATOM 414 CG LEU A 31 -2.111 3.500 -10.532 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.860 4.590 -11.284 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.459 2.154 -11.158 1.00 0.00 C ATOM 0 H LEU A 31 1.811 4.359 -10.587 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.602 5.794 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.332 3.866 -11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.081 2.803 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.398 3.531 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.933 4.424 -11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.606 5.563 -10.863 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.579 4.565 -12.337 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.534 1.986 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.161 2.152 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.932 1.360 -10.630 1.00 0.00 H new ATOM 428 N LEU A 32 0.417 3.723 -7.726 1.00 0.00 N ATOM 429 CA LEU A 32 0.277 3.425 -6.298 1.00 0.00 C ATOM 430 C LEU A 32 0.610 4.623 -5.407 1.00 0.00 C ATOM 431 O LEU A 32 0.131 4.699 -4.284 1.00 0.00 O ATOM 432 CB LEU A 32 1.170 2.249 -5.883 1.00 0.00 C ATOM 433 CG LEU A 32 0.925 0.925 -6.606 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.647 -0.187 -5.854 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.557 0.564 -6.652 1.00 0.00 C ATOM 0 H LEU A 32 1.117 3.155 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.773 3.167 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.210 2.537 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.043 2.083 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 32 1.292 1.034 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.479 -1.137 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.716 0.026 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.263 -0.246 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.685 -0.384 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.941 0.473 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.106 1.345 -7.178 1.00 0.00 H new ATOM 447 N TRP A 33 1.398 5.572 -5.903 1.00 0.00 N ATOM 448 CA TRP A 33 1.640 6.844 -5.233 1.00 0.00 C ATOM 449 C TRP A 33 0.413 7.757 -5.323 1.00 0.00 C ATOM 450 O TRP A 33 -0.234 8.037 -4.314 1.00 0.00 O ATOM 451 CB TRP A 33 2.899 7.483 -5.827 1.00 0.00 C ATOM 452 CG TRP A 33 3.589 8.515 -4.995 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.024 9.517 -4.281 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.024 8.639 -4.793 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.017 10.236 -3.636 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.271 9.740 -3.923 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.136 7.920 -5.275 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.569 10.108 -3.542 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.445 8.280 -4.899 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.662 9.371 -4.036 1.00 0.00 C ATOM 0 H TRP A 33 1.891 5.478 -6.791 1.00 0.00 H new ATOM 0 HA TRP A 33 1.810 6.679 -4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.613 6.688 -6.043 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.631 7.939 -6.780 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.965 9.723 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.842 11.033 -3.025 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.983 7.083 -5.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.728 10.945 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.286 7.716 -5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.668 9.643 -3.753 1.00 0.00 H new ATOM 471 N GLU A 34 0.062 8.203 -6.531 1.00 0.00 N ATOM 472 CA GLU A 34 -0.987 9.211 -6.751 1.00 0.00 C ATOM 473 C GLU A 34 -2.399 8.738 -6.374 1.00 0.00 C ATOM 474 O GLU A 34 -3.222 9.542 -5.930 1.00 0.00 O ATOM 475 CB GLU A 34 -0.966 9.679 -8.214 1.00 0.00 C ATOM 476 CG GLU A 34 0.319 10.448 -8.535 1.00 0.00 C ATOM 477 CD GLU A 34 0.218 11.160 -9.898 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.560 10.549 -10.941 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.198 12.344 -9.939 1.00 0.00 O ATOM 0 H GLU A 34 0.498 7.875 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.755 10.039 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.051 8.816 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.830 10.315 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.512 11.182 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.165 9.760 -8.543 1.00 0.00 H new ATOM 486 N LEU A 35 -2.676 7.437 -6.489 1.00 0.00 N ATOM 487 CA LEU A 35 -3.947 6.833 -6.072 1.00 0.00 C ATOM 488 C LEU A 35 -4.110 6.839 -4.540 1.00 0.00 C ATOM 489 O LEU A 35 -5.224 6.987 -4.041 1.00 0.00 O ATOM 490 CB LEU A 35 -4.016 5.395 -6.627 1.00 0.00 C ATOM 491 CG LEU A 35 -5.429 4.802 -6.689 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.205 5.301 -7.909 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.357 3.278 -6.728 1.00 0.00 C ATOM 0 H LEU A 35 -2.017 6.764 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.768 7.426 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.588 5.385 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.392 4.750 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.957 5.129 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.200 4.856 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.293 6.387 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.676 5.016 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.366 2.867 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.798 2.963 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.856 2.914 -5.831 1.00 0.00 H new ATOM 505 N PHE A 36 -3.014 6.702 -3.786 1.00 0.00 N ATOM 506 CA PHE A 36 -3.008 6.585 -2.322 1.00 0.00 C ATOM 507 C PHE A 36 -2.883 7.938 -1.601 1.00 0.00 C ATOM 508 O PHE A 36 -3.175 8.015 -0.405 1.00 0.00 O ATOM 509 CB PHE A 36 -1.912 5.596 -1.906 1.00 0.00 C ATOM 510 CG PHE A 36 -2.306 4.125 -1.995 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.510 3.502 -3.244 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.461 3.361 -0.821 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.873 2.146 -3.319 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.839 2.007 -0.892 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.054 1.402 -2.141 1.00 0.00 C ATOM 0 H PHE A 36 -2.078 6.668 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.978 6.200 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.037 5.761 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.615 5.816 -0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.386 4.073 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.288 3.819 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.013 1.676 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.964 1.433 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.358 0.367 -2.196 1.00 0.00 H new ATOM 525 N LEU A 37 -2.568 9.025 -2.318 1.00 0.00 N ATOM 526 CA LEU A 37 -2.631 10.407 -1.808 1.00 0.00 C ATOM 527 C LEU A 37 -4.012 10.806 -1.241 1.00 0.00 C ATOM 528 O LEU A 37 -4.121 11.755 -0.465 1.00 0.00 O ATOM 529 CB LEU A 37 -2.221 11.380 -2.931 1.00 0.00 C ATOM 530 CG LEU A 37 -0.721 11.411 -3.271 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.467 12.418 -4.393 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.130 11.822 -2.071 1.00 0.00 C ATOM 0 H LEU A 37 -2.256 8.971 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.937 10.464 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.774 11.119 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.531 12.386 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.441 10.402 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.597 12.437 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.032 12.126 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.784 13.410 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.182 11.830 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.164 12.818 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.020 11.111 -1.258 1.00 0.00 H new ATOM 544 N GLN A 38 -5.061 10.060 -1.599 1.00 0.00 N ATOM 545 CA GLN A 38 -6.424 10.196 -1.060 1.00 0.00 C ATOM 546 C GLN A 38 -6.507 9.852 0.438 1.00 0.00 C ATOM 547 O GLN A 38 -7.309 10.443 1.165 1.00 0.00 O ATOM 548 CB GLN A 38 -7.386 9.274 -1.831 1.00 0.00 C ATOM 549 CG GLN A 38 -7.335 9.509 -3.344 1.00 0.00 C ATOM 550 CD GLN A 38 -8.363 8.663 -4.090 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.505 9.052 -4.296 1.00 0.00 O ATOM 552 NE2 GLN A 38 -8.001 7.471 -4.512 1.00 0.00 N ATOM 0 H GLN A 38 -4.986 9.319 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.707 11.242 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.136 8.234 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.403 9.436 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.513 10.564 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.337 9.275 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.052 7.138 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.670 6.880 -5.006 1.00 0.00 H new ATOM 561 N ALA A 39 -5.681 8.906 0.902 1.00 0.00 N ATOM 562 CA ALA A 39 -5.614 8.509 2.309 1.00 0.00 C ATOM 563 C ALA A 39 -4.795 9.493 3.163 1.00 0.00 C ATOM 564 O ALA A 39 -5.222 9.887 4.251 1.00 0.00 O ATOM 565 CB ALA A 39 -5.013 7.106 2.389 1.00 0.00 C ATOM 0 H ALA A 39 -5.035 8.391 0.303 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.625 8.517 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.956 6.794 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.642 6.409 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.012 7.114 1.957 1.00 0.00 H new ATOM 571 N GLY A 40 -3.627 9.898 2.660 1.00 0.00 N ATOM 572 CA GLY A 40 -2.715 10.834 3.318 1.00 0.00 C ATOM 573 C GLY A 40 -1.444 11.110 2.499 1.00 0.00 C ATOM 574 O GLY A 40 -1.346 10.669 1.352 1.00 0.00 O ATOM 0 H GLY A 40 -3.280 9.574 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.236 11.774 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.433 10.434 4.292 1.00 0.00 H new ATOM 578 N PRO A 41 -0.457 11.828 3.060 1.00 0.00 N ATOM 579 CA PRO A 41 0.788 12.171 2.375 1.00 0.00 C ATOM 580 C PRO A 41 1.653 10.927 2.118 1.00 0.00 C ATOM 581 O PRO A 41 2.218 10.336 3.044 1.00 0.00 O ATOM 582 CB PRO A 41 1.477 13.202 3.278 1.00 0.00 C ATOM 583 CG PRO A 41 0.939 12.873 4.670 1.00 0.00 C ATOM 584 CD PRO A 41 -0.488 12.410 4.391 1.00 0.00 C ATOM 0 HA PRO A 41 0.609 12.586 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.562 13.111 3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.231 14.222 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.527 12.094 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.959 13.743 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.815 11.679 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.187 13.245 4.438 1.00 0.00 H new ATOM 592 N VAL A 42 1.771 10.549 0.842 1.00 0.00 N ATOM 593 CA VAL A 42 2.647 9.469 0.363 1.00 0.00 C ATOM 594 C VAL A 42 4.050 10.022 0.100 1.00 0.00 C ATOM 595 O VAL A 42 4.220 11.054 -0.554 1.00 0.00 O ATOM 596 CB VAL A 42 2.083 8.772 -0.890 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.016 7.654 -1.374 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.707 8.147 -0.630 1.00 0.00 C ATOM 0 H VAL A 42 1.246 10.997 0.091 1.00 0.00 H new ATOM 0 HA VAL A 42 2.700 8.709 1.142 1.00 0.00 H new ATOM 0 HB VAL A 42 1.996 9.550 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.590 7.182 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.991 8.075 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.131 6.910 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.348 7.667 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.789 7.405 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.005 8.925 -0.329 1.00 0.00 H new ATOM 608 N VAL A 43 5.051 9.315 0.617 1.00 0.00 N ATOM 609 CA VAL A 43 6.469 9.710 0.670 1.00 0.00 C ATOM 610 C VAL A 43 7.319 8.909 -0.325 1.00 0.00 C ATOM 611 O VAL A 43 8.300 9.430 -0.858 1.00 0.00 O ATOM 612 CB VAL A 43 7.007 9.503 2.105 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.362 10.181 2.335 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.058 10.061 3.172 1.00 0.00 C ATOM 0 H VAL A 43 4.893 8.398 1.036 1.00 0.00 H new ATOM 0 HA VAL A 43 6.538 10.762 0.393 1.00 0.00 H new ATOM 0 HB VAL A 43 7.102 8.421 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.689 10.002 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.096 9.771 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.265 11.254 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.482 9.890 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.923 11.131 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.093 9.559 3.099 1.00 0.00 H new ATOM 624 N ASN A 44 6.961 7.640 -0.553 1.00 0.00 N ATOM 625 CA ASN A 44 7.685 6.673 -1.386 1.00 0.00 C ATOM 626 C ASN A 44 6.762 5.495 -1.802 1.00 0.00 C ATOM 627 O ASN A 44 5.694 5.292 -1.222 1.00 0.00 O ATOM 628 CB ASN A 44 8.928 6.243 -0.573 1.00 0.00 C ATOM 629 CG ASN A 44 9.714 5.087 -1.160 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.071 5.084 -2.329 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.991 4.074 -0.374 1.00 0.00 N ATOM 0 H ASN A 44 6.118 7.240 -0.142 1.00 0.00 H new ATOM 0 HA ASN A 44 8.010 7.106 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.593 7.101 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.608 5.971 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.509 3.274 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.688 4.087 0.600 1.00 0.00 H new ATOM 638 N THR A 45 7.177 4.696 -2.790 1.00 0.00 N ATOM 639 CA THR A 45 6.508 3.458 -3.255 1.00 0.00 C ATOM 640 C THR A 45 7.530 2.369 -3.606 1.00 0.00 C ATOM 641 O THR A 45 8.684 2.669 -3.920 1.00 0.00 O ATOM 642 CB THR A 45 5.624 3.694 -4.495 1.00 0.00 C ATOM 643 OG1 THR A 45 6.257 4.557 -5.412 1.00 0.00 O ATOM 644 CG2 THR A 45 4.252 4.265 -4.163 1.00 0.00 C ATOM 0 H THR A 45 8.027 4.896 -3.317 1.00 0.00 H new ATOM 0 HA THR A 45 5.880 3.136 -2.424 1.00 0.00 H new ATOM 0 HB THR A 45 5.480 2.707 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.156 5.484 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.684 4.405 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.719 3.575 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.369 5.224 -3.659 1.00 0.00 H new ATOM 652 N HIS A 46 7.116 1.097 -3.574 1.00 0.00 N ATOM 653 CA HIS A 46 7.941 -0.045 -3.990 1.00 0.00 C ATOM 654 C HIS A 46 7.093 -1.097 -4.713 1.00 0.00 C ATOM 655 O HIS A 46 6.007 -1.428 -4.247 1.00 0.00 O ATOM 656 CB HIS A 46 8.619 -0.660 -2.751 1.00 0.00 C ATOM 657 CG HIS A 46 9.655 -1.714 -3.066 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.353 -1.852 -4.270 1.00 0.00 N ATOM 659 CD2 HIS A 46 10.057 -2.699 -2.211 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.163 -2.912 -4.110 1.00 0.00 C ATOM 661 NE2 HIS A 46 11.007 -3.437 -2.882 1.00 0.00 N ATOM 0 H HIS A 46 6.186 0.827 -3.254 1.00 0.00 H new ATOM 0 HA HIS A 46 8.704 0.304 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.092 0.137 -2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.853 -1.100 -2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.700 -2.867 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.842 -3.289 -4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.507 -4.245 -2.510 1.00 0.00 H new ATOM 669 N MET A 47 7.576 -1.661 -5.820 1.00 0.00 N ATOM 670 CA MET A 47 6.971 -2.827 -6.484 1.00 0.00 C ATOM 671 C MET A 47 8.083 -3.781 -6.946 1.00 0.00 C ATOM 672 O MET A 47 8.729 -3.498 -7.959 1.00 0.00 O ATOM 673 CB MET A 47 6.083 -2.400 -7.668 1.00 0.00 C ATOM 674 CG MET A 47 4.745 -1.806 -7.206 1.00 0.00 C ATOM 675 SD MET A 47 3.692 -1.106 -8.505 1.00 0.00 S ATOM 676 CE MET A 47 3.385 -2.588 -9.483 1.00 0.00 C ATOM 0 H MET A 47 8.413 -1.318 -6.292 1.00 0.00 H new ATOM 0 HA MET A 47 6.328 -3.344 -5.772 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.615 -1.665 -8.272 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.894 -3.262 -8.308 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.183 -2.586 -6.692 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.951 -1.025 -6.474 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.327 -2.642 -9.740 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.979 -2.551 -10.396 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.663 -3.469 -8.905 1.00 0.00 H new ATOM 686 N PRO A 48 8.330 -4.899 -6.236 1.00 0.00 N ATOM 687 CA PRO A 48 9.328 -5.897 -6.625 1.00 0.00 C ATOM 688 C PRO A 48 9.115 -6.449 -8.044 1.00 0.00 C ATOM 689 O PRO A 48 7.980 -6.722 -8.450 1.00 0.00 O ATOM 690 CB PRO A 48 9.245 -6.990 -5.553 1.00 0.00 C ATOM 691 CG PRO A 48 8.798 -6.210 -4.319 1.00 0.00 C ATOM 692 CD PRO A 48 7.812 -5.202 -4.907 1.00 0.00 C ATOM 0 HA PRO A 48 10.322 -5.453 -6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.531 -7.768 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.206 -7.479 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.326 -6.856 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.635 -5.718 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.806 -5.619 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.752 -4.304 -4.292 1.00 0.00 H new ATOM 700 N LYS A 49 10.209 -6.596 -8.806 1.00 0.00 N ATOM 701 CA LYS A 49 10.210 -6.994 -10.227 1.00 0.00 C ATOM 702 C LYS A 49 10.719 -8.425 -10.440 1.00 0.00 C ATOM 703 O LYS A 49 11.617 -8.897 -9.741 1.00 0.00 O ATOM 704 CB LYS A 49 11.027 -6.006 -11.086 1.00 0.00 C ATOM 705 CG LYS A 49 10.652 -4.517 -10.969 1.00 0.00 C ATOM 706 CD LYS A 49 9.176 -4.215 -11.279 1.00 0.00 C ATOM 707 CE LYS A 49 8.880 -2.710 -11.413 1.00 0.00 C ATOM 708 NZ LYS A 49 9.291 -1.937 -10.213 1.00 0.00 N ATOM 0 H LYS A 49 11.148 -6.437 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 49 9.169 -6.966 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.079 -6.114 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.929 -6.301 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.877 -4.175 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.280 -3.941 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.896 -4.718 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.553 -4.632 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.399 -2.318 -12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.813 -2.567 -11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.851 -0.995 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.984 -2.439 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.326 -1.835 -10.203 1.00 0.00 H new ATOM 722 N ASP A 50 10.163 -9.097 -11.443 1.00 0.00 N ATOM 723 CA ASP A 50 10.548 -10.439 -11.885 1.00 0.00 C ATOM 724 C ASP A 50 11.920 -10.461 -12.598 1.00 0.00 C ATOM 725 O ASP A 50 12.314 -9.487 -13.243 1.00 0.00 O ATOM 726 CB ASP A 50 9.434 -10.978 -12.792 1.00 0.00 C ATOM 727 CG ASP A 50 9.746 -12.405 -13.236 1.00 0.00 C ATOM 728 OD1 ASP A 50 10.330 -12.536 -14.335 1.00 0.00 O ATOM 729 OD2 ASP A 50 9.484 -13.360 -12.470 1.00 0.00 O ATOM 0 H ASP A 50 9.399 -8.707 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 50 10.666 -11.080 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.483 -10.957 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.326 -10.335 -13.665 1.00 0.00 H new ATOM 734 N ARG A 51 12.646 -11.586 -12.507 1.00 0.00 N ATOM 735 CA ARG A 51 14.033 -11.735 -12.996 1.00 0.00 C ATOM 736 C ARG A 51 14.203 -12.201 -14.453 1.00 0.00 C ATOM 737 O ARG A 51 15.341 -12.310 -14.912 1.00 0.00 O ATOM 738 CB ARG A 51 14.836 -12.595 -11.999 1.00 0.00 C ATOM 739 CG ARG A 51 14.386 -14.066 -11.947 1.00 0.00 C ATOM 740 CD ARG A 51 15.239 -14.860 -10.952 1.00 0.00 C ATOM 741 NE ARG A 51 14.825 -16.276 -10.897 1.00 0.00 N ATOM 742 CZ ARG A 51 15.374 -17.232 -10.166 1.00 0.00 C ATOM 743 NH1 ARG A 51 16.388 -17.006 -9.378 1.00 0.00 N ATOM 744 NH2 ARG A 51 14.910 -18.447 -10.214 1.00 0.00 N ATOM 0 H ARG A 51 12.281 -12.438 -12.083 1.00 0.00 H new ATOM 0 HA ARG A 51 14.441 -10.725 -13.037 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.892 -12.557 -12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.745 -12.161 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.336 -14.120 -11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.467 -14.511 -12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.289 -14.797 -11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.153 -14.415 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 51 14.034 -16.545 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.783 -16.068 -9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.786 -17.767 -8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.118 -18.667 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.338 -19.179 -9.648 1.00 0.00 H new ATOM 758 N VAL A 52 13.116 -12.473 -15.183 1.00 0.00 N ATOM 759 CA VAL A 52 13.140 -12.953 -16.587 1.00 0.00 C ATOM 760 C VAL A 52 12.138 -12.233 -17.489 1.00 0.00 C ATOM 761 O VAL A 52 12.408 -12.043 -18.676 1.00 0.00 O ATOM 762 CB VAL A 52 12.883 -14.472 -16.695 1.00 0.00 C ATOM 763 CG1 VAL A 52 14.129 -15.275 -16.311 1.00 0.00 C ATOM 764 CG2 VAL A 52 11.696 -14.973 -15.868 1.00 0.00 C ATOM 0 H VAL A 52 12.171 -12.366 -14.815 1.00 0.00 H new ATOM 0 HA VAL A 52 14.149 -12.725 -16.931 1.00 0.00 H new ATOM 0 HB VAL A 52 12.633 -14.633 -17.744 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.916 -16.341 -16.397 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.950 -15.014 -16.979 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.409 -15.043 -15.283 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.588 -16.049 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.869 -14.754 -14.814 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.786 -14.473 -16.198 1.00 0.00 H new ATOM 774 N THR A 53 11.004 -11.808 -16.934 1.00 0.00 N ATOM 775 CA THR A 53 9.937 -11.087 -17.642 1.00 0.00 C ATOM 776 C THR A 53 9.947 -9.592 -17.319 1.00 0.00 C ATOM 777 O THR A 53 9.420 -8.785 -18.086 1.00 0.00 O ATOM 778 CB THR A 53 8.549 -11.680 -17.351 1.00 0.00 C ATOM 779 OG1 THR A 53 8.265 -11.684 -15.971 1.00 0.00 O ATOM 780 CG2 THR A 53 8.418 -13.107 -17.883 1.00 0.00 C ATOM 0 H THR A 53 10.792 -11.959 -15.948 1.00 0.00 H new ATOM 0 HA THR A 53 10.142 -11.209 -18.706 1.00 0.00 H new ATOM 0 HB THR A 53 7.833 -11.039 -17.865 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.991 -12.132 -15.489 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.423 -13.490 -17.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.571 -13.108 -18.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.167 -13.742 -17.410 1.00 0.00 H new ATOM 788 N GLY A 54 10.572 -9.212 -16.197 1.00 0.00 N ATOM 789 CA GLY A 54 10.832 -7.829 -15.798 1.00 0.00 C ATOM 790 C GLY A 54 9.605 -7.008 -15.362 1.00 0.00 C ATOM 791 O GLY A 54 9.750 -5.837 -15.002 1.00 0.00 O ATOM 0 H GLY A 54 10.923 -9.888 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.548 -7.838 -14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.310 -7.315 -16.632 1.00 0.00 H new ATOM 795 N GLN A 55 8.408 -7.603 -15.366 1.00 0.00 N ATOM 796 CA GLN A 55 7.181 -7.015 -14.812 1.00 0.00 C ATOM 797 C GLN A 55 7.178 -7.076 -13.276 1.00 0.00 C ATOM 798 O GLN A 55 8.014 -7.749 -12.673 1.00 0.00 O ATOM 799 CB GLN A 55 5.941 -7.710 -15.408 1.00 0.00 C ATOM 800 CG GLN A 55 5.927 -9.239 -15.231 1.00 0.00 C ATOM 801 CD GLN A 55 4.508 -9.802 -15.225 1.00 0.00 C ATOM 802 OE1 GLN A 55 3.985 -10.264 -16.231 1.00 0.00 O ATOM 803 NE2 GLN A 55 3.821 -9.769 -14.101 1.00 0.00 N ATOM 0 H GLN A 55 8.260 -8.530 -15.764 1.00 0.00 H new ATOM 0 HA GLN A 55 7.147 -5.962 -15.090 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.047 -7.294 -14.944 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.885 -7.478 -16.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.497 -9.702 -16.036 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.424 -9.500 -14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.245 -9.387 -13.255 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.866 -10.126 -14.077 1.00 0.00 H new ATOM 812 N HIS A 56 6.223 -6.412 -12.619 1.00 0.00 N ATOM 813 CA HIS A 56 6.024 -6.577 -11.173 1.00 0.00 C ATOM 814 C HIS A 56 5.516 -7.986 -10.814 1.00 0.00 C ATOM 815 O HIS A 56 4.933 -8.688 -11.647 1.00 0.00 O ATOM 816 CB HIS A 56 5.130 -5.463 -10.618 1.00 0.00 C ATOM 817 CG HIS A 56 3.676 -5.572 -11.003 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.764 -6.464 -10.436 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.022 -4.784 -11.906 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.584 -6.204 -11.021 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.708 -5.193 -11.892 1.00 0.00 N ATOM 0 H HIS A 56 5.577 -5.758 -13.061 1.00 0.00 H new ATOM 0 HA HIS A 56 6.995 -6.483 -10.687 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.205 -5.463 -9.531 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.512 -4.503 -10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.450 -3.998 -12.510 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.665 -6.734 -10.818 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.954 -4.793 -12.451 1.00 0.00 H new ATOM 829 N GLN A 57 5.747 -8.405 -9.569 1.00 0.00 N ATOM 830 CA GLN A 57 5.459 -9.763 -9.076 1.00 0.00 C ATOM 831 C GLN A 57 4.011 -9.960 -8.561 1.00 0.00 C ATOM 832 O GLN A 57 3.734 -10.908 -7.824 1.00 0.00 O ATOM 833 CB GLN A 57 6.535 -10.163 -8.048 1.00 0.00 C ATOM 834 CG GLN A 57 7.933 -10.269 -8.682 1.00 0.00 C ATOM 835 CD GLN A 57 8.988 -10.687 -7.660 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.726 -9.877 -7.117 1.00 0.00 O ATOM 837 NE2 GLN A 57 9.103 -11.964 -7.353 1.00 0.00 N ATOM 0 H GLN A 57 6.149 -7.799 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 57 5.511 -10.446 -9.924 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.558 -9.428 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.268 -11.120 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.909 -10.993 -9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.209 -9.308 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.495 -12.652 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.800 -12.264 -6.671 1.00 0.00 H new ATOM 846 N GLY A 58 3.074 -9.077 -8.932 1.00 0.00 N ATOM 847 CA GLY A 58 1.660 -9.115 -8.522 1.00 0.00 C ATOM 848 C GLY A 58 1.344 -8.375 -7.214 1.00 0.00 C ATOM 849 O GLY A 58 0.188 -8.355 -6.785 1.00 0.00 O ATOM 0 H GLY A 58 3.284 -8.290 -9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.054 -8.686 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.356 -10.156 -8.415 1.00 0.00 H new ATOM 853 N TYR A 59 2.344 -7.756 -6.580 1.00 0.00 N ATOM 854 CA TYR A 59 2.206 -6.996 -5.335 1.00 0.00 C ATOM 855 C TYR A 59 3.148 -5.781 -5.276 1.00 0.00 C ATOM 856 O TYR A 59 4.134 -5.689 -6.014 1.00 0.00 O ATOM 857 CB TYR A 59 2.415 -7.923 -4.126 1.00 0.00 C ATOM 858 CG TYR A 59 3.819 -8.481 -3.972 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.190 -9.646 -4.669 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.744 -7.851 -3.114 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.486 -10.177 -4.523 1.00 0.00 C ATOM 862 CE2 TYR A 59 6.032 -8.395 -2.945 1.00 0.00 C ATOM 863 CZ TYR A 59 6.411 -9.555 -3.658 1.00 0.00 C ATOM 864 OH TYR A 59 7.655 -10.086 -3.507 1.00 0.00 O ATOM 0 H TYR A 59 3.302 -7.771 -6.930 1.00 0.00 H new ATOM 0 HA TYR A 59 1.192 -6.597 -5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.158 -7.375 -3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.717 -8.756 -4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.478 -10.134 -5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.465 -6.951 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.772 -11.061 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.731 -7.925 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 59 8.170 -9.539 -2.878 1.00 0.00 H new ATOM 874 N GLY A 60 2.824 -4.840 -4.389 1.00 0.00 N ATOM 875 CA GLY A 60 3.535 -3.584 -4.172 1.00 0.00 C ATOM 876 C GLY A 60 3.379 -3.053 -2.745 1.00 0.00 C ATOM 877 O GLY A 60 2.762 -3.686 -1.887 1.00 0.00 O ATOM 0 H GLY A 60 2.018 -4.940 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.594 -3.729 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.166 -2.837 -4.875 1.00 0.00 H new ATOM 881 N PHE A 61 3.937 -1.868 -2.504 1.00 0.00 N ATOM 882 CA PHE A 61 3.932 -1.166 -1.224 1.00 0.00 C ATOM 883 C PHE A 61 3.827 0.353 -1.415 1.00 0.00 C ATOM 884 O PHE A 61 4.326 0.901 -2.404 1.00 0.00 O ATOM 885 CB PHE A 61 5.216 -1.466 -0.435 1.00 0.00 C ATOM 886 CG PHE A 61 5.535 -2.924 -0.166 1.00 0.00 C ATOM 887 CD1 PHE A 61 5.154 -3.518 1.053 1.00 0.00 C ATOM 888 CD2 PHE A 61 6.259 -3.676 -1.112 1.00 0.00 C ATOM 889 CE1 PHE A 61 5.500 -4.853 1.326 1.00 0.00 C ATOM 890 CE2 PHE A 61 6.594 -5.015 -0.843 1.00 0.00 C ATOM 891 CZ PHE A 61 6.216 -5.603 0.376 1.00 0.00 C ATOM 0 H PHE A 61 4.428 -1.348 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 61 3.061 -1.521 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.056 -1.030 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.153 -0.951 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.595 -2.947 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.557 -3.223 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.216 -5.303 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.142 -5.592 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.475 -6.631 0.583 1.00 0.00 H new ATOM 901 N VAL A 62 3.241 1.038 -0.429 1.00 0.00 N ATOM 902 CA VAL A 62 3.109 2.506 -0.391 1.00 0.00 C ATOM 903 C VAL A 62 3.524 3.027 0.982 1.00 0.00 C ATOM 904 O VAL A 62 3.046 2.542 2.004 1.00 0.00 O ATOM 905 CB VAL A 62 1.677 2.963 -0.738 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.632 4.481 -0.918 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.152 2.305 -2.018 1.00 0.00 C ATOM 0 H VAL A 62 2.834 0.581 0.387 1.00 0.00 H new ATOM 0 HA VAL A 62 3.771 2.924 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 62 1.042 2.658 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.615 4.788 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.946 4.966 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.303 4.772 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.141 2.658 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.801 2.566 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.140 1.222 -1.892 1.00 0.00 H new ATOM 917 N GLU A 63 4.424 4.006 1.022 1.00 0.00 N ATOM 918 CA GLU A 63 4.992 4.565 2.250 1.00 0.00 C ATOM 919 C GLU A 63 4.345 5.914 2.576 1.00 0.00 C ATOM 920 O GLU A 63 4.453 6.863 1.799 1.00 0.00 O ATOM 921 CB GLU A 63 6.506 4.700 2.065 1.00 0.00 C ATOM 922 CG GLU A 63 7.242 5.128 3.338 1.00 0.00 C ATOM 923 CD GLU A 63 8.751 5.296 3.089 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.333 6.269 3.627 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.367 4.469 2.376 1.00 0.00 O ATOM 0 H GLU A 63 4.790 4.446 0.178 1.00 0.00 H new ATOM 0 HA GLU A 63 4.791 3.903 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.909 3.746 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.704 5.428 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.826 6.067 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.082 4.385 4.119 1.00 0.00 H new ATOM 932 N PHE A 64 3.705 6.014 3.736 1.00 0.00 N ATOM 933 CA PHE A 64 3.110 7.244 4.256 1.00 0.00 C ATOM 934 C PHE A 64 4.032 7.961 5.244 1.00 0.00 C ATOM 935 O PHE A 64 4.963 7.375 5.803 1.00 0.00 O ATOM 936 CB PHE A 64 1.756 6.926 4.897 1.00 0.00 C ATOM 937 CG PHE A 64 0.694 6.593 3.875 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.048 7.637 3.298 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.479 5.263 3.468 1.00 0.00 C ATOM 940 CE1 PHE A 64 -1.024 7.350 2.331 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.499 4.977 2.499 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.253 6.024 1.938 1.00 0.00 C ATOM 0 H PHE A 64 3.581 5.218 4.361 1.00 0.00 H new ATOM 0 HA PHE A 64 2.962 7.928 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.871 6.087 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.429 7.780 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.132 8.659 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.064 4.464 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.599 8.151 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.671 3.958 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.012 5.805 1.201 1.00 0.00 H new ATOM 952 N LEU A 65 3.749 9.244 5.483 1.00 0.00 N ATOM 953 CA LEU A 65 4.488 10.060 6.448 1.00 0.00 C ATOM 954 C LEU A 65 4.348 9.540 7.891 1.00 0.00 C ATOM 955 O LEU A 65 5.311 9.601 8.660 1.00 0.00 O ATOM 956 CB LEU A 65 3.996 11.511 6.320 1.00 0.00 C ATOM 957 CG LEU A 65 4.928 12.541 6.981 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.193 12.771 6.151 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.205 13.882 7.112 1.00 0.00 C ATOM 0 H LEU A 65 2.998 9.747 5.011 1.00 0.00 H new ATOM 0 HA LEU A 65 5.553 10.003 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.889 11.757 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.006 11.590 6.768 1.00 0.00 H new ATOM 0 HG LEU A 65 5.206 12.147 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.827 13.505 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.737 11.832 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.918 13.141 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.868 14.609 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.917 14.238 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.313 13.756 7.726 1.00 0.00 H new ATOM 971 N SER A 66 3.175 8.995 8.237 1.00 0.00 N ATOM 972 CA SER A 66 2.846 8.508 9.586 1.00 0.00 C ATOM 973 C SER A 66 1.957 7.259 9.543 1.00 0.00 C ATOM 974 O SER A 66 1.235 7.017 8.574 1.00 0.00 O ATOM 975 CB SER A 66 2.139 9.601 10.404 1.00 0.00 C ATOM 976 OG SER A 66 2.866 10.823 10.418 1.00 0.00 O ATOM 0 H SER A 66 2.410 8.877 7.573 1.00 0.00 H new ATOM 0 HA SER A 66 3.790 8.245 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.146 9.777 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.000 9.252 11.427 1.00 0.00 H new ATOM 0 HG SER A 66 2.378 11.488 10.948 1.00 0.00 H new ATOM 982 N GLU A 67 1.966 6.471 10.620 1.00 0.00 N ATOM 983 CA GLU A 67 1.175 5.233 10.729 1.00 0.00 C ATOM 984 C GLU A 67 -0.342 5.485 10.667 1.00 0.00 C ATOM 985 O GLU A 67 -1.072 4.681 10.095 1.00 0.00 O ATOM 986 CB GLU A 67 1.565 4.505 12.025 1.00 0.00 C ATOM 987 CG GLU A 67 0.836 3.159 12.183 1.00 0.00 C ATOM 988 CD GLU A 67 1.258 2.341 13.419 1.00 0.00 C ATOM 989 OE1 GLU A 67 1.967 2.854 14.318 1.00 0.00 O ATOM 990 OE2 GLU A 67 0.847 1.157 13.497 1.00 0.00 O ATOM 0 H GLU A 67 2.525 6.671 11.450 1.00 0.00 H new ATOM 0 HA GLU A 67 1.405 4.606 9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.642 4.335 12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.336 5.142 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.237 3.346 12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.011 2.559 11.290 1.00 0.00 H new ATOM 997 N GLU A 68 -0.832 6.614 11.186 1.00 0.00 N ATOM 998 CA GLU A 68 -2.262 6.962 11.128 1.00 0.00 C ATOM 999 C GLU A 68 -2.768 7.253 9.701 1.00 0.00 C ATOM 1000 O GLU A 68 -3.951 7.069 9.411 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.564 8.123 12.092 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.880 9.447 11.720 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.184 10.534 12.771 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -1.378 10.711 13.717 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -3.230 11.219 12.661 1.00 0.00 O ATOM 0 H GLU A 68 -0.256 7.312 11.657 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.818 6.082 11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.642 8.281 12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.253 7.836 13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.803 9.297 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.224 9.776 10.739 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.873 7.645 8.789 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.170 7.812 7.362 1.00 0.00 C ATOM 1014 C ASP A 69 -2.132 6.466 6.615 1.00 0.00 C ATOM 1015 O ASP A 69 -2.943 6.229 5.717 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.186 8.824 6.763 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.387 10.233 7.341 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.479 10.820 7.145 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.443 10.767 7.968 1.00 0.00 O ATOM 0 H ASP A 69 -0.904 7.859 9.026 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.184 8.195 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.165 8.495 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.311 8.855 5.681 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.257 5.544 7.040 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.202 4.178 6.527 1.00 0.00 C ATOM 1026 C ALA A 70 -2.438 3.365 6.959 1.00 0.00 C ATOM 1027 O ALA A 70 -3.080 2.723 6.130 1.00 0.00 O ATOM 1028 CB ALA A 70 0.110 3.539 7.005 1.00 0.00 C ATOM 0 H ALA A 70 -0.560 5.734 7.760 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.219 4.187 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.173 2.516 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.954 4.115 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.135 3.531 8.095 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.837 3.457 8.232 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.039 2.818 8.781 1.00 0.00 C ATOM 1036 C ASP A 71 -5.321 3.234 8.032 1.00 0.00 C ATOM 1037 O ASP A 71 -6.196 2.402 7.781 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.138 3.166 10.271 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.339 2.478 10.942 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -6.334 3.171 11.262 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.278 1.247 11.173 1.00 0.00 O ATOM 0 H ASP A 71 -2.319 3.993 8.928 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.950 1.739 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.219 2.866 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.227 4.246 10.386 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.401 4.496 7.598 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.518 4.988 6.789 1.00 0.00 C ATOM 1048 C TYR A 72 -6.492 4.415 5.364 1.00 0.00 C ATOM 1049 O TYR A 72 -7.538 4.044 4.836 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.525 6.522 6.781 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.831 7.114 6.282 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.067 7.251 4.899 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.825 7.506 7.202 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.281 7.792 4.436 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -10.044 8.042 6.743 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.274 8.189 5.356 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.448 8.707 4.901 1.00 0.00 O ATOM 0 H TYR A 72 -4.694 5.203 7.798 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.445 4.640 7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.332 6.885 7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.709 6.879 6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.313 6.939 4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.651 7.395 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.452 7.903 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.803 8.341 7.451 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.024 8.929 5.662 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.317 4.258 4.745 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.205 3.653 3.416 1.00 0.00 C ATOM 1069 C ALA A 73 -5.609 2.169 3.433 1.00 0.00 C ATOM 1070 O ALA A 73 -6.294 1.710 2.520 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.779 3.860 2.901 1.00 0.00 C ATOM 0 H ALA A 73 -4.425 4.544 5.148 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.900 4.141 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.681 3.414 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.565 4.927 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.073 3.387 3.584 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.286 1.442 4.508 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.744 0.060 4.740 1.00 0.00 C ATOM 1079 C ILE A 74 -7.276 0.010 4.882 1.00 0.00 C ATOM 1080 O ILE A 74 -7.908 -0.929 4.396 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.026 -0.543 5.973 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.493 -0.542 5.773 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.501 -1.985 6.232 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.691 -0.727 7.061 1.00 0.00 C ATOM 0 H ILE A 74 -4.690 1.799 5.255 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.483 -0.550 3.875 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.276 0.078 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.229 -1.338 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.200 0.399 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.983 -2.388 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.575 -1.987 6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.281 -2.602 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.626 -0.714 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.923 0.082 7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.952 -1.681 7.518 1.00 0.00 H new ATOM 1096 N LYS A 75 -7.893 1.041 5.478 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.353 1.157 5.617 1.00 0.00 C ATOM 1098 C LYS A 75 -10.061 1.367 4.271 1.00 0.00 C ATOM 1099 O LYS A 75 -11.085 0.723 4.034 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.684 2.257 6.644 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.190 2.411 6.891 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.458 3.428 8.013 1.00 0.00 C ATOM 1103 CE LYS A 75 -12.956 3.685 8.231 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.662 2.506 8.804 1.00 0.00 N ATOM 0 H LYS A 75 -7.386 1.828 5.882 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.741 0.210 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.188 2.027 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.280 3.207 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.682 2.736 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.620 1.446 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.017 3.064 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.963 4.369 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.081 4.538 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.417 3.953 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.669 2.732 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.568 1.697 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.243 2.264 9.724 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.534 2.222 3.382 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.198 2.548 2.108 1.00 0.00 C ATOM 1120 C ILE A 76 -9.813 1.642 0.928 1.00 0.00 C ATOM 1121 O ILE A 76 -10.688 1.304 0.136 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.042 4.038 1.736 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.582 4.520 1.632 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.803 4.908 2.751 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.449 5.783 0.783 1.00 0.00 C ATOM 0 H ILE A 76 -8.645 2.703 3.522 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.252 2.345 2.297 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.464 4.142 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.193 4.714 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.970 3.728 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.691 5.959 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.860 4.641 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.398 4.741 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.402 6.084 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.811 5.583 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.038 6.585 1.228 1.00 0.00 H new ATOM 1137 N MET A 77 -8.547 1.227 0.795 1.00 0.00 N ATOM 1138 CA MET A 77 -8.034 0.540 -0.410 1.00 0.00 C ATOM 1139 C MET A 77 -8.153 -0.988 -0.374 1.00 0.00 C ATOM 1140 O MET A 77 -7.790 -1.668 -1.331 1.00 0.00 O ATOM 1141 CB MET A 77 -6.611 1.005 -0.743 1.00 0.00 C ATOM 1142 CG MET A 77 -6.548 2.463 -1.204 1.00 0.00 C ATOM 1143 SD MET A 77 -7.066 2.721 -2.919 1.00 0.00 S ATOM 1144 CE MET A 77 -6.491 4.423 -3.122 1.00 0.00 C ATOM 0 H MET A 77 -7.842 1.356 1.520 1.00 0.00 H new ATOM 0 HA MET A 77 -8.694 0.840 -1.224 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.979 0.881 0.137 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.200 0.365 -1.524 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.178 3.067 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.527 2.826 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.162 4.956 -3.796 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.479 4.921 -2.153 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.484 4.420 -3.540 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.694 -1.543 0.705 1.00 0.00 N ATOM 1155 CA ASP A 78 -8.896 -2.987 0.843 1.00 0.00 C ATOM 1156 C ASP A 78 -10.211 -3.452 0.189 1.00 0.00 C ATOM 1157 O ASP A 78 -11.249 -2.801 0.327 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.780 -3.419 2.310 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.759 -4.946 2.417 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -9.744 -5.557 2.890 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -7.759 -5.546 1.971 1.00 0.00 O ATOM 0 H ASP A 78 -9.007 -1.005 1.513 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.097 -3.489 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.871 -3.005 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.618 -3.020 2.881 1.00 0.00 H new ATOM 1166 N MET A 79 -10.159 -4.569 -0.548 1.00 0.00 N ATOM 1167 CA MET A 79 -11.236 -5.092 -1.411 1.00 0.00 C ATOM 1168 C MET A 79 -11.700 -4.140 -2.536 1.00 0.00 C ATOM 1169 O MET A 79 -12.724 -4.379 -3.181 1.00 0.00 O ATOM 1170 CB MET A 79 -12.391 -5.696 -0.585 1.00 0.00 C ATOM 1171 CG MET A 79 -11.979 -6.920 0.249 1.00 0.00 C ATOM 1172 SD MET A 79 -12.210 -8.552 -0.526 1.00 0.00 S ATOM 1173 CE MET A 79 -10.975 -8.541 -1.855 1.00 0.00 C ATOM 0 H MET A 79 -9.329 -5.162 -0.562 1.00 0.00 H new ATOM 0 HA MET A 79 -10.783 -5.913 -1.967 1.00 0.00 H new ATOM 0 HB2 MET A 79 -12.789 -4.930 0.081 1.00 0.00 H new ATOM 0 HB3 MET A 79 -13.198 -5.982 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.927 -6.814 0.512 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.544 -6.903 1.181 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.737 -9.566 -2.139 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.374 -8.008 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.070 -8.042 -1.507 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.928 -3.084 -2.818 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.082 -2.229 -4.002 1.00 0.00 C ATOM 1185 C ILE A 80 -10.642 -2.997 -5.259 1.00 0.00 C ATOM 1186 O ILE A 80 -9.831 -3.920 -5.183 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.341 -0.885 -3.767 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.318 0.101 -3.085 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.672 -0.281 -5.009 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.826 1.551 -2.985 1.00 0.00 C ATOM 0 H ILE A 80 -10.159 -2.793 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.127 -1.969 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.494 -1.093 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.259 0.092 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.532 -0.263 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.182 0.655 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.931 -0.979 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.427 -0.089 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.584 2.159 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.902 1.583 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.641 1.942 -3.985 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.180 -2.628 -6.427 1.00 0.00 N ATOM 1203 CA LYS A 81 -10.946 -3.297 -7.715 1.00 0.00 C ATOM 1204 C LYS A 81 -10.183 -2.404 -8.700 1.00 0.00 C ATOM 1205 O LYS A 81 -10.741 -1.937 -9.696 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.289 -3.800 -8.267 1.00 0.00 C ATOM 1207 CG LYS A 81 -12.924 -4.881 -7.371 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.156 -5.537 -8.011 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.768 -6.513 -9.130 1.00 0.00 C ATOM 1210 NZ LYS A 81 -14.965 -7.040 -9.838 1.00 0.00 N ATOM 0 H LYS A 81 -11.811 -1.830 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.296 -4.159 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.977 -2.960 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.139 -4.204 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.181 -5.649 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.209 -4.435 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.723 -6.068 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.811 -4.764 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.116 -6.009 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.199 -7.342 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.664 -7.696 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.575 -7.543 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.494 -6.251 -10.261 1.00 0.00 H new ATOM 1224 N LEU A 82 -8.895 -2.177 -8.433 1.00 0.00 N ATOM 1225 CA LEU A 82 -7.988 -1.436 -9.325 1.00 0.00 C ATOM 1226 C LEU A 82 -7.938 -2.119 -10.708 1.00 0.00 C ATOM 1227 O LEU A 82 -7.736 -3.331 -10.781 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.608 -1.343 -8.644 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.581 -0.432 -9.342 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.122 0.982 -9.566 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.330 -0.335 -8.465 1.00 0.00 C ATOM 0 H LEU A 82 -8.442 -2.506 -7.580 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.345 -0.421 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.750 -0.986 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.189 -2.347 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.356 -0.870 -10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.363 1.588 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.014 0.936 -10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.375 1.431 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.595 0.308 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.597 0.085 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.906 -1.329 -8.325 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.183 -1.374 -11.797 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.403 -1.947 -13.143 1.00 0.00 C ATOM 1245 C TYR A 83 -9.393 -3.150 -13.228 1.00 0.00 C ATOM 1246 O TYR A 83 -9.265 -3.995 -14.118 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.050 -2.243 -13.820 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.157 -1.037 -14.041 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.539 -0.042 -14.962 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -4.922 -0.940 -13.373 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -5.680 1.041 -15.228 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.059 0.140 -13.642 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.433 1.132 -14.576 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.595 2.163 -14.869 1.00 0.00 O ATOM 0 H TYR A 83 -8.235 -0.356 -11.774 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.929 -1.174 -13.702 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.509 -2.968 -13.212 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.241 -2.715 -14.784 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.492 -0.110 -15.465 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.636 -1.694 -12.654 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.977 1.804 -15.933 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.109 0.210 -13.133 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.778 2.082 -14.334 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.390 -3.259 -12.335 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.412 -4.325 -12.370 1.00 0.00 C ATOM 1266 C GLY A 84 -10.953 -5.698 -11.846 1.00 0.00 C ATOM 1267 O GLY A 84 -11.460 -6.730 -12.291 1.00 0.00 O ATOM 0 H GLY A 84 -10.513 -2.606 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.271 -4.000 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.754 -4.443 -13.398 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.997 -5.721 -10.908 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.325 -6.887 -10.324 1.00 0.00 C ATOM 1273 C LYS A 85 -9.080 -6.592 -8.829 1.00 0.00 C ATOM 1274 O LYS A 85 -8.454 -5.576 -8.520 1.00 0.00 O ATOM 1275 CB LYS A 85 -8.022 -7.120 -11.109 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.261 -8.379 -10.665 1.00 0.00 C ATOM 1277 CD LYS A 85 -6.084 -8.692 -11.605 1.00 0.00 C ATOM 1278 CE LYS A 85 -6.572 -9.237 -12.957 1.00 0.00 C ATOM 1279 NZ LYS A 85 -5.475 -9.317 -13.955 1.00 0.00 N ATOM 0 H LYS A 85 -9.645 -4.852 -10.506 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.922 -7.797 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.255 -7.201 -12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.374 -6.252 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.889 -8.241 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.944 -9.228 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.496 -7.789 -11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.425 -9.421 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.004 -10.227 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.365 -8.596 -13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.798 -9.857 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.205 -8.357 -14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.653 -9.793 -13.530 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.626 -7.390 -7.895 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.644 -7.053 -6.472 1.00 0.00 C ATOM 1295 C PRO A 86 -8.259 -7.113 -5.810 1.00 0.00 C ATOM 1296 O PRO A 86 -7.530 -8.097 -5.955 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.659 -8.006 -5.832 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.691 -9.202 -6.781 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.436 -8.568 -8.146 1.00 0.00 C ATOM 0 HA PRO A 86 -9.937 -6.013 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.352 -8.301 -4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.641 -7.542 -5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.927 -9.937 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.651 -9.717 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.920 -9.263 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.374 -8.300 -8.633 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.929 -6.069 -5.042 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.705 -5.949 -4.236 1.00 0.00 C ATOM 1309 C ILE A 87 -6.979 -6.132 -2.735 1.00 0.00 C ATOM 1310 O ILE A 87 -8.064 -5.816 -2.236 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.940 -4.629 -4.513 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.795 -3.357 -4.318 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.347 -4.660 -5.931 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -5.967 -2.083 -4.116 1.00 0.00 C ATOM 0 H ILE A 87 -8.531 -5.250 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.055 -6.766 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.145 -4.571 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.440 -3.227 -5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.447 -3.497 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.810 -3.731 -6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.659 -5.501 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.151 -4.771 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.635 -1.232 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.342 -2.192 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.335 -1.918 -4.988 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.969 -6.613 -2.004 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.932 -6.664 -0.532 1.00 0.00 C ATOM 1328 C ARG A 88 -4.827 -5.759 0.007 1.00 0.00 C ATOM 1329 O ARG A 88 -3.743 -5.701 -0.573 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.765 -8.111 -0.035 1.00 0.00 C ATOM 1331 CG ARG A 88 -7.054 -8.949 -0.069 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.118 -8.424 0.909 1.00 0.00 C ATOM 1333 NE ARG A 88 -9.151 -9.434 1.194 1.00 0.00 N ATOM 1334 CZ ARG A 88 -10.058 -9.377 2.156 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -10.233 -8.328 2.911 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -10.826 -10.404 2.386 1.00 0.00 N ATOM 0 H ARG A 88 -5.124 -6.992 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.884 -6.295 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.009 -8.606 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.387 -8.089 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.460 -8.945 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.818 -9.985 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.638 -8.124 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.587 -7.533 0.491 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.169 -10.257 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.656 -7.499 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.947 -8.337 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.728 -11.250 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.526 -10.362 3.127 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.103 -5.059 1.108 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.227 -4.041 1.709 1.00 0.00 C ATOM 1352 C VAL A 89 -4.112 -4.250 3.222 1.00 0.00 C ATOM 1353 O VAL A 89 -5.097 -4.573 3.885 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.713 -2.615 1.366 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.743 -1.530 1.847 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -4.844 -2.427 -0.148 1.00 0.00 C ATOM 0 H VAL A 89 -5.972 -5.186 1.627 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.230 -4.154 1.282 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.674 -2.512 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.134 -0.548 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.633 -1.594 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.772 -1.675 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.188 -1.415 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.875 -2.588 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.563 -3.145 -0.543 1.00 0.00 H new ATOM 1366 N ASN A 90 -2.904 -4.086 3.768 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.574 -4.229 5.196 1.00 0.00 C ATOM 1368 C ASN A 90 -1.229 -3.532 5.507 1.00 0.00 C ATOM 1369 O ASN A 90 -0.582 -2.993 4.610 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.531 -5.742 5.518 1.00 0.00 C ATOM 1371 CG ASN A 90 -2.564 -6.096 6.997 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.744 -5.259 7.871 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -2.390 -7.353 7.330 1.00 0.00 N ATOM 0 H ASN A 90 -2.090 -3.839 3.205 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.326 -3.749 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.376 -6.225 5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.626 -6.163 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.405 -7.627 8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.239 -8.056 6.607 1.00 0.00 H new ATOM 1380 N LYS A 91 -0.783 -3.550 6.766 1.00 0.00 N ATOM 1381 CA LYS A 91 0.560 -3.125 7.202 1.00 0.00 C ATOM 1382 C LYS A 91 1.660 -3.892 6.450 1.00 0.00 C ATOM 1383 O LYS A 91 1.497 -5.080 6.173 1.00 0.00 O ATOM 1384 CB LYS A 91 0.719 -3.425 8.706 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.370 -2.869 9.633 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.389 -1.336 9.734 1.00 0.00 C ATOM 1387 CE LYS A 91 0.828 -0.730 10.451 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.918 -1.089 11.891 1.00 0.00 N ATOM 0 H LYS A 91 -1.364 -3.871 7.541 1.00 0.00 H new ATOM 0 HA LYS A 91 0.660 -2.060 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.758 -4.506 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.681 -3.029 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.342 -3.211 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.230 -3.286 10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.448 -0.919 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.294 -1.030 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.736 -1.060 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.789 0.355 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.689 -0.257 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.245 -1.853 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.883 -1.408 12.110 1.00 0.00 H new ATOM 1402 N ALA A 92 2.809 -3.261 6.205 1.00 0.00 N ATOM 1403 CA ALA A 92 3.996 -3.969 5.710 1.00 0.00 C ATOM 1404 C ALA A 92 4.696 -4.779 6.829 1.00 0.00 C ATOM 1405 O ALA A 92 5.216 -5.865 6.569 1.00 0.00 O ATOM 1406 CB ALA A 92 4.936 -2.961 5.042 1.00 0.00 C ATOM 0 H ALA A 92 2.945 -2.259 6.341 1.00 0.00 H new ATOM 0 HA ALA A 92 3.689 -4.705 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.821 -3.479 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.422 -2.480 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.235 -2.206 5.769 1.00 0.00 H new ATOM 1412 N SER A 93 4.665 -4.292 8.080 1.00 0.00 N ATOM 1413 CA SER A 93 5.227 -4.990 9.257 1.00 0.00 C ATOM 1414 C SER A 93 4.334 -6.134 9.773 1.00 0.00 C ATOM 1415 O SER A 93 4.836 -7.210 10.094 1.00 0.00 O ATOM 1416 CB SER A 93 5.462 -4.003 10.409 1.00 0.00 C ATOM 1417 OG SER A 93 6.263 -2.911 10.011 1.00 0.00 O ATOM 0 H SER A 93 4.245 -3.391 8.310 1.00 0.00 H new ATOM 0 HA SER A 93 6.168 -5.424 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.503 -3.636 10.774 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.942 -4.521 11.239 1.00 0.00 H new ATOM 0 HG SER A 93 6.255 -2.227 10.712 1.00 0.00 H new ATOM 1423 N ALA A 94 3.017 -5.886 9.860 1.00 0.00 N ATOM 1424 CA ALA A 94 1.936 -6.813 10.244 1.00 0.00 C ATOM 1425 C ALA A 94 2.256 -7.771 11.421 1.00 0.00 C ATOM 1426 O ALA A 94 2.493 -8.970 11.243 1.00 0.00 O ATOM 1427 CB ALA A 94 1.419 -7.511 8.980 1.00 0.00 C ATOM 0 H ALA A 94 2.650 -4.959 9.647 1.00 0.00 H new ATOM 0 HA ALA A 94 1.132 -6.220 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.618 -8.201 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.038 -6.765 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.233 -8.064 8.511 1.00 0.00 H new ATOM 1433 N HIS A 95 2.237 -7.221 12.642 1.00 0.00 N ATOM 1434 CA HIS A 95 2.610 -7.884 13.909 1.00 0.00 C ATOM 1435 C HIS A 95 1.565 -7.709 15.034 1.00 0.00 C ATOM 1436 O HIS A 95 1.862 -7.932 16.209 1.00 0.00 O ATOM 1437 CB HIS A 95 4.008 -7.393 14.334 1.00 0.00 C ATOM 1438 CG HIS A 95 4.084 -5.898 14.555 1.00 0.00 C ATOM 1439 ND1 HIS A 95 4.052 -5.233 15.785 1.00 0.00 N ATOM 1440 CD2 HIS A 95 4.138 -4.969 13.561 1.00 0.00 C ATOM 1441 CE1 HIS A 95 4.085 -3.918 15.495 1.00 0.00 C ATOM 1442 NE2 HIS A 95 4.134 -3.735 14.164 1.00 0.00 N ATOM 0 H HIS A 95 1.947 -6.254 12.786 1.00 0.00 H new ATOM 0 HA HIS A 95 2.636 -8.959 13.730 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.299 -7.903 15.252 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.731 -7.676 13.569 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.177 -5.165 12.500 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.074 -3.124 16.227 1.00 0.00 H new ATOM 0 HE2 HIS A 95 4.163 -2.835 13.685 1.00 0.00 H new ATOM 1450 N ASN A 96 0.338 -7.299 14.687 1.00 0.00 N ATOM 1451 CA ASN A 96 -0.733 -6.979 15.639 1.00 0.00 C ATOM 1452 C ASN A 96 -1.142 -8.196 16.505 1.00 0.00 C ATOM 1453 O ASN A 96 -1.217 -9.327 16.013 1.00 0.00 O ATOM 1454 CB ASN A 96 -1.924 -6.393 14.852 1.00 0.00 C ATOM 1455 CG ASN A 96 -3.010 -5.788 15.732 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -2.817 -5.483 16.900 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -4.188 -5.573 15.191 1.00 0.00 N ATOM 0 H ASN A 96 0.056 -7.178 13.714 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.369 -6.238 16.351 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.554 -5.627 14.170 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.364 -7.180 14.239 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.935 -5.154 15.745 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.356 -5.825 14.217 1.00 0.00 H new ATOM 1464 N LYS A 97 -1.420 -7.955 17.794 1.00 0.00 N ATOM 1465 CA LYS A 97 -1.747 -8.963 18.819 1.00 0.00 C ATOM 1466 C LYS A 97 -2.724 -8.395 19.855 1.00 0.00 C ATOM 1467 O LYS A 97 -2.617 -7.227 20.234 1.00 0.00 O ATOM 1468 CB LYS A 97 -0.429 -9.425 19.477 1.00 0.00 C ATOM 1469 CG LYS A 97 -0.600 -10.570 20.490 1.00 0.00 C ATOM 1470 CD LYS A 97 0.761 -11.004 21.058 1.00 0.00 C ATOM 1471 CE LYS A 97 0.634 -12.089 22.138 1.00 0.00 C ATOM 1472 NZ LYS A 97 0.207 -13.402 21.582 1.00 0.00 N ATOM 0 H LYS A 97 -1.424 -7.007 18.171 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.243 -9.817 18.359 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.261 -9.745 18.697 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.031 -8.575 19.980 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.252 -10.249 21.302 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.085 -11.419 20.008 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.387 -11.376 20.247 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.268 -10.136 21.479 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.592 -12.207 22.644 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.086 -11.766 22.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.137 -14.098 22.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.720 -13.299 21.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.906 -13.727 20.884 1.00 0.00 H new ATOM 1486 N ASN A 98 -3.620 -9.235 20.380 1.00 0.00 N ATOM 1487 CA ASN A 98 -4.543 -8.903 21.478 1.00 0.00 C ATOM 1488 C ASN A 98 -3.833 -8.983 22.852 1.00 0.00 C ATOM 1489 O ASN A 98 -4.241 -9.722 23.751 1.00 0.00 O ATOM 1490 CB ASN A 98 -5.803 -9.791 21.372 1.00 0.00 C ATOM 1491 CG ASN A 98 -6.669 -9.520 20.146 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -6.485 -8.575 19.391 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -7.665 -10.347 19.914 1.00 0.00 N ATOM 0 H ASN A 98 -3.729 -10.193 20.046 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.871 -7.867 21.389 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.495 -10.836 21.359 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -6.408 -9.648 22.267 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.275 -10.197 19.111 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.827 -11.138 20.537 1.00 0.00 H new ATOM 1500 N LEU A 99 -2.718 -8.256 22.991 1.00 0.00 N ATOM 1501 CA LEU A 99 -1.834 -8.264 24.161 1.00 0.00 C ATOM 1502 C LEU A 99 -2.461 -7.536 25.369 1.00 0.00 C ATOM 1503 O LEU A 99 -3.196 -6.557 25.209 1.00 0.00 O ATOM 1504 CB LEU A 99 -0.481 -7.658 23.731 1.00 0.00 C ATOM 1505 CG LEU A 99 0.647 -7.715 24.780 1.00 0.00 C ATOM 1506 CD1 LEU A 99 1.036 -9.151 25.143 1.00 0.00 C ATOM 1507 CD2 LEU A 99 1.892 -7.018 24.229 1.00 0.00 C ATOM 0 H LEU A 99 -2.395 -7.621 22.262 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.678 -9.286 24.506 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.142 -8.175 22.833 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.643 -6.616 23.456 1.00 0.00 H new ATOM 0 HG LEU A 99 0.272 -7.219 25.676 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.834 -9.135 25.885 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.170 -9.670 25.553 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.382 -9.671 24.250 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.690 -7.058 24.971 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.217 -7.521 23.318 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.657 -5.977 24.005 1.00 0.00 H new ATOM 1519 N SER A 100 -2.147 -8.000 26.581 1.00 0.00 N ATOM 1520 CA SER A 100 -2.638 -7.469 27.864 1.00 0.00 C ATOM 1521 C SER A 100 -1.518 -7.328 28.911 1.00 0.00 C ATOM 1522 O SER A 100 -0.405 -7.836 28.731 1.00 0.00 O ATOM 1523 CB SER A 100 -3.776 -8.359 28.389 1.00 0.00 C ATOM 1524 OG SER A 100 -3.326 -9.686 28.624 1.00 0.00 O ATOM 0 H SER A 100 -1.516 -8.791 26.705 1.00 0.00 H new ATOM 0 HA SER A 100 -3.018 -6.463 27.686 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.173 -7.938 29.313 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.593 -8.372 27.668 1.00 0.00 H new ATOM 0 HG SER A 100 -4.070 -10.229 28.959 1.00 0.00 H new ATOM 1530 N GLY A 101 -1.801 -6.619 30.009 1.00 0.00 N ATOM 1531 CA GLY A 101 -0.859 -6.366 31.108 1.00 0.00 C ATOM 1532 C GLY A 101 -1.514 -5.725 32.344 1.00 0.00 C ATOM 1533 O GLY A 101 -2.747 -5.622 32.397 1.00 0.00 O ATOM 0 H GLY A 101 -2.715 -6.194 30.163 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.394 -7.307 31.401 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.062 -5.714 30.750 1.00 0.00 H new ATOM 1537 N PRO A 102 -0.718 -5.293 33.343 1.00 0.00 N ATOM 1538 CA PRO A 102 -1.212 -4.696 34.590 1.00 0.00 C ATOM 1539 C PRO A 102 -2.044 -3.416 34.395 1.00 0.00 C ATOM 1540 O PRO A 102 -1.848 -2.659 33.437 1.00 0.00 O ATOM 1541 CB PRO A 102 0.034 -4.421 35.442 1.00 0.00 C ATOM 1542 CG PRO A 102 1.051 -5.433 34.919 1.00 0.00 C ATOM 1543 CD PRO A 102 0.724 -5.490 33.429 1.00 0.00 C ATOM 0 HA PRO A 102 -1.906 -5.386 35.070 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.387 -3.397 35.319 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.166 -4.564 36.504 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.076 -5.108 35.097 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.938 -6.406 35.397 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.260 -4.717 32.879 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.016 -6.448 32.999 1.00 0.00 H new ATOM 1551 N SER A 103 -2.956 -3.152 35.335 1.00 0.00 N ATOM 1552 CA SER A 103 -3.845 -1.978 35.334 1.00 0.00 C ATOM 1553 C SER A 103 -3.092 -0.653 35.535 1.00 0.00 C ATOM 1554 O SER A 103 -2.071 -0.597 36.228 1.00 0.00 O ATOM 1555 CB SER A 103 -4.921 -2.121 36.421 1.00 0.00 C ATOM 1556 OG SER A 103 -5.655 -3.324 36.243 1.00 0.00 O ATOM 0 H SER A 103 -3.103 -3.762 36.139 1.00 0.00 H new ATOM 0 HA SER A 103 -4.307 -1.945 34.347 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.454 -2.116 37.406 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.598 -1.267 36.385 1.00 0.00 H new ATOM 0 HG SER A 103 -6.335 -3.399 36.945 1.00 0.00 H new ATOM 1562 N SER A 104 -3.619 0.434 34.962 1.00 0.00 N ATOM 1563 CA SER A 104 -3.044 1.791 35.045 1.00 0.00 C ATOM 1564 C SER A 104 -3.325 2.523 36.371 1.00 0.00 C ATOM 1565 O SER A 104 -2.654 3.515 36.680 1.00 0.00 O ATOM 1566 CB SER A 104 -3.550 2.628 33.863 1.00 0.00 C ATOM 1567 OG SER A 104 -4.972 2.655 33.837 1.00 0.00 O ATOM 0 H SER A 104 -4.478 0.399 34.413 1.00 0.00 H new ATOM 0 HA SER A 104 -1.962 1.669 35.004 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.164 3.644 33.939 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.172 2.212 32.929 1.00 0.00 H new ATOM 0 HG SER A 104 -5.275 3.195 33.077 1.00 0.00 H new ATOM 1573 N GLY A 105 -4.285 2.039 37.170 1.00 0.00 N ATOM 1574 CA GLY A 105 -4.662 2.570 38.490 1.00 0.00 C ATOM 1575 C GLY A 105 -5.883 1.870 39.091 1.00 0.00 C ATOM 1576 O GLY A 105 -5.940 0.621 39.040 1.00 0.00 O ATOM 1577 OXT GLY A 105 -6.775 2.578 39.607 1.00 0.00 O ATOM 0 H GLY A 105 -4.846 1.230 36.903 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.818 2.465 39.172 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.869 3.636 38.401 1.00 0.00 H new TER 1581 GLY A 105