USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 17 HIS : no HD1:sc= -0.595 K(o=-1.9,f=-9.1!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 179:sc= -1.34 (180deg=-1.35!) USER MOD Single : A 19 ASN : amide:sc=-0.00183 K(o=-0.0018,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 1.27 (180deg=0.887) USER MOD Single : A 25 GLN : amide:sc= 0.946 K(o=0.95,f=-0.69) USER MOD Single : A 28 SER OG : rot -32:sc= 0.304 USER MOD Single : A 31 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.3!) USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= 1.32 (180deg=1.18) USER MOD Single : A 37 HIS : no HE2:sc= -0.485 K(o=-0.49,f=-1.9) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 41 SER OG : rot 180:sc= -0.235 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.14) USER MOD Single : A 44 MET CE :methyl -168:sc= 0 (180deg=-0.155) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -88:sc= 0.559 USER MOD Single : A 51 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.66) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -120:sc=-0.00206 (180deg=-1.06) USER MOD Single : A 57 GLN : amide:sc= 0.951 K(o=0.95,f=-6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 75 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.83) USER MOD Single : A 78 MET CE :methyl -117:sc= -0.589 (180deg=-0.796) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.22 K(o=-0.22,f=-1) USER MOD Single : A 89 GLN : amide:sc= 0.567 K(o=0.57,f=-3.6!) USER MOD Single : A 90 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.008 15.418 -1.147 1.00 10.00 N ATOM 2 CA ASP A 16 9.288 15.487 0.120 1.00 10.00 C ATOM 3 C ASP A 16 8.441 14.233 0.320 1.00 10.00 C ATOM 4 O ASP A 16 8.567 13.269 -0.439 1.00 10.00 O ATOM 5 CB ASP A 16 8.404 16.735 0.169 1.00 10.00 C ATOM 6 CG ASP A 16 8.413 17.384 1.535 1.00 10.00 C ATOM 7 OD1 ASP A 16 7.722 16.879 2.440 1.00 10.00 O ATOM 8 OD2 ASP A 16 9.128 18.396 1.711 1.00 10.00 O ATOM 0 HA ASP A 16 10.019 15.548 0.927 1.00 10.00 H new ATOM 0 HB2 ASP A 16 8.749 17.453 -0.575 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.382 16.466 -0.097 1.00 10.00 H new ATOM 13 N HIS A 17 7.587 14.244 1.331 1.00 10.00 N ATOM 14 CA HIS A 17 6.729 13.102 1.615 1.00 10.00 C ATOM 15 C HIS A 17 5.276 13.435 1.309 1.00 10.00 C ATOM 16 O HIS A 17 4.675 14.307 1.944 1.00 10.00 O ATOM 17 CB HIS A 17 6.873 12.664 3.073 1.00 10.00 C ATOM 18 CG HIS A 17 7.714 11.433 3.255 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.878 11.459 3.988 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.514 10.177 2.790 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.355 10.227 3.954 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.563 9.419 3.240 1.00 10.00 N ATOM 0 H HIS A 17 7.469 15.031 1.969 1.00 10.00 H new ATOM 0 HA HIS A 17 7.041 12.278 0.974 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.312 13.481 3.646 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.882 12.480 3.487 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.688 9.838 2.182 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.267 9.913 4.440 1.00 10.00 H new ATOM 0 HE2 HIS A 17 8.712 8.425 3.064 1.00 10.00 H new ATOM 30 N ILE A 18 4.715 12.728 0.343 1.00 10.00 N ATOM 31 CA ILE A 18 3.337 12.945 -0.067 1.00 10.00 C ATOM 32 C ILE A 18 2.404 11.973 0.661 1.00 10.00 C ATOM 33 O ILE A 18 2.727 10.797 0.836 1.00 10.00 O ATOM 34 CB ILE A 18 3.191 12.809 -1.607 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.790 13.214 -2.063 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.515 11.394 -2.070 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.637 13.238 -3.568 1.00 10.00 C ATOM 0 H ILE A 18 5.196 11.993 -0.176 1.00 10.00 H new ATOM 0 HA ILE A 18 3.052 13.961 0.206 1.00 10.00 H new ATOM 0 HB ILE A 18 3.910 13.488 -2.066 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.063 12.520 -1.641 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.556 14.201 -1.665 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.404 11.331 -3.152 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.541 11.147 -1.796 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.833 10.690 -1.593 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.620 13.533 -3.826 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.341 13.953 -3.994 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.840 12.245 -3.970 1.00 10.00 H new ATOM 49 N ASN A 19 1.262 12.470 1.115 1.00 10.00 N ATOM 50 CA ASN A 19 0.307 11.634 1.830 1.00 10.00 C ATOM 51 C ASN A 19 -0.936 11.402 0.989 1.00 10.00 C ATOM 52 O ASN A 19 -1.780 12.287 0.851 1.00 10.00 O ATOM 53 CB ASN A 19 -0.079 12.270 3.169 1.00 10.00 C ATOM 54 CG ASN A 19 0.903 11.947 4.281 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.742 10.964 5.005 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.921 12.779 4.433 1.00 10.00 N ATOM 0 H ASN A 19 0.975 13.442 1.002 1.00 10.00 H new ATOM 0 HA ASN A 19 0.784 10.673 2.026 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.140 13.352 3.048 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.072 11.925 3.457 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.607 12.617 5.170 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.020 13.583 3.813 1.00 10.00 H new ATOM 63 N LEU A 20 -1.037 10.214 0.422 1.00 10.00 N ATOM 64 CA LEU A 20 -2.178 9.856 -0.404 1.00 10.00 C ATOM 65 C LEU A 20 -3.275 9.259 0.469 1.00 10.00 C ATOM 66 O LEU A 20 -2.998 8.736 1.548 1.00 10.00 O ATOM 67 CB LEU A 20 -1.751 8.871 -1.496 1.00 10.00 C ATOM 68 CG LEU A 20 -0.649 9.383 -2.430 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.190 8.284 -3.374 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.134 10.590 -3.214 1.00 10.00 C ATOM 0 H LEU A 20 -0.339 9.476 0.519 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.568 10.750 -0.890 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.407 7.952 -1.022 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.625 8.614 -2.095 1.00 10.00 H new ATOM 0 HG LEU A 20 0.202 9.686 -1.820 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.592 8.669 -4.028 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.200 7.447 -2.795 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.033 7.947 -3.977 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.339 10.940 -3.872 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.002 10.311 -3.811 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.410 11.386 -2.523 1.00 10.00 H new ATOM 82 N LYS A 21 -4.515 9.344 0.014 1.00 10.00 N ATOM 83 CA LYS A 21 -5.638 8.825 0.785 1.00 10.00 C ATOM 84 C LYS A 21 -6.344 7.684 0.067 1.00 10.00 C ATOM 85 O LYS A 21 -6.948 7.879 -0.987 1.00 10.00 O ATOM 86 CB LYS A 21 -6.649 9.938 1.069 1.00 10.00 C ATOM 87 CG LYS A 21 -6.110 11.059 1.943 1.00 10.00 C ATOM 88 CD LYS A 21 -7.160 12.133 2.174 1.00 10.00 C ATOM 89 CE LYS A 21 -6.588 13.325 2.921 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.512 14.487 2.895 1.00 10.00 N ATOM 0 H LYS A 21 -4.770 9.764 -0.880 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.231 8.442 1.721 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.984 10.360 0.122 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.524 9.504 1.552 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.786 10.652 2.901 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.232 11.501 1.471 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.561 12.462 1.215 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.992 11.713 2.740 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.387 13.044 3.955 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.634 13.609 2.476 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.993 15.336 2.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.287 14.299 2.227 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.904 14.640 3.846 1.00 10.00 H new ATOM 104 N VAL A 22 -6.260 6.494 0.637 1.00 10.00 N ATOM 105 CA VAL A 22 -6.927 5.332 0.074 1.00 10.00 C ATOM 106 C VAL A 22 -8.217 5.078 0.843 1.00 10.00 C ATOM 107 O VAL A 22 -8.192 4.625 1.989 1.00 10.00 O ATOM 108 CB VAL A 22 -6.027 4.076 0.111 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.807 2.833 -0.297 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.819 4.266 -0.794 1.00 10.00 C ATOM 0 H VAL A 22 -5.735 6.307 1.491 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.149 5.538 -0.973 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.680 3.936 1.135 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.150 1.964 -0.262 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.641 2.685 0.389 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.189 2.959 -1.310 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.194 3.374 -0.758 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.154 4.434 -1.818 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.242 5.127 -0.455 1.00 10.00 H new ATOM 120 N ALA A 23 -9.342 5.395 0.222 1.00 10.00 N ATOM 121 CA ALA A 23 -10.633 5.225 0.867 1.00 10.00 C ATOM 122 C ALA A 23 -11.394 4.042 0.291 1.00 10.00 C ATOM 123 O ALA A 23 -11.488 3.883 -0.925 1.00 10.00 O ATOM 124 CB ALA A 23 -11.457 6.498 0.738 1.00 10.00 C ATOM 0 H ALA A 23 -9.387 5.770 -0.725 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.454 5.021 1.923 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.422 6.358 1.225 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.927 7.324 1.213 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.613 6.725 -0.317 1.00 10.00 H new ATOM 130 N GLY A 24 -11.923 3.211 1.176 1.00 10.00 N ATOM 131 CA GLY A 24 -12.690 2.063 0.748 1.00 10.00 C ATOM 132 C GLY A 24 -14.165 2.392 0.682 1.00 10.00 C ATOM 133 O GLY A 24 -14.590 3.432 1.189 1.00 10.00 O ATOM 0 H GLY A 24 -11.834 3.313 2.187 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.343 1.734 -0.231 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.529 1.235 1.438 1.00 10.00 H new ATOM 137 N GLN A 25 -14.953 1.514 0.076 1.00 10.00 N ATOM 138 CA GLN A 25 -16.391 1.744 -0.054 1.00 10.00 C ATOM 139 C GLN A 25 -17.104 1.516 1.274 1.00 10.00 C ATOM 140 O GLN A 25 -18.267 1.883 1.441 1.00 10.00 O ATOM 141 CB GLN A 25 -16.982 0.840 -1.138 1.00 10.00 C ATOM 142 CG GLN A 25 -16.301 0.985 -2.490 1.00 10.00 C ATOM 143 CD GLN A 25 -16.307 2.410 -3.010 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.224 3.185 -2.737 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.277 2.765 -3.759 1.00 10.00 N ATOM 0 H GLN A 25 -14.625 0.639 -0.333 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.541 2.784 -0.345 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.909 -0.198 -0.813 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -18.043 1.065 -1.249 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.271 0.638 -2.410 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.800 0.339 -3.212 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.538 2.092 -3.962 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.222 3.712 -4.134 1.00 10.00 H new ATOM 154 N ASP A 26 -16.396 0.915 2.216 1.00 10.00 N ATOM 155 CA ASP A 26 -16.946 0.639 3.537 1.00 10.00 C ATOM 156 C ASP A 26 -16.898 1.891 4.411 1.00 10.00 C ATOM 157 O ASP A 26 -17.744 2.082 5.283 1.00 10.00 O ATOM 158 CB ASP A 26 -16.171 -0.497 4.211 1.00 10.00 C ATOM 159 CG ASP A 26 -14.779 -0.076 4.637 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.021 0.428 3.782 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.434 -0.236 5.824 1.00 10.00 O ATOM 0 H ASP A 26 -15.432 0.606 2.091 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.986 0.335 3.417 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.725 -0.843 5.083 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.098 -1.340 3.524 1.00 10.00 H new ATOM 166 N GLY A 27 -15.903 2.740 4.173 1.00 10.00 N ATOM 167 CA GLY A 27 -15.771 3.960 4.942 1.00 10.00 C ATOM 168 C GLY A 27 -14.400 4.107 5.579 1.00 10.00 C ATOM 169 O GLY A 27 -14.067 5.170 6.106 1.00 10.00 O ATOM 0 H GLY A 27 -15.186 2.603 3.460 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.959 4.815 4.293 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.533 3.977 5.721 1.00 10.00 H new ATOM 173 N SER A 28 -13.604 3.044 5.540 1.00 10.00 N ATOM 174 CA SER A 28 -12.266 3.080 6.119 1.00 10.00 C ATOM 175 C SER A 28 -11.300 3.799 5.176 1.00 10.00 C ATOM 176 O SER A 28 -11.329 3.585 3.959 1.00 10.00 O ATOM 177 CB SER A 28 -11.774 1.657 6.404 1.00 10.00 C ATOM 178 OG SER A 28 -11.807 0.857 5.234 1.00 10.00 O ATOM 0 H SER A 28 -13.860 2.152 5.116 1.00 10.00 H new ATOM 0 HA SER A 28 -12.306 3.629 7.060 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.757 1.693 6.794 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.396 1.203 7.176 1.00 10.00 H new ATOM 0 HG SER A 28 -12.552 1.141 4.664 1.00 10.00 H new ATOM 184 N VAL A 29 -10.462 4.659 5.729 1.00 10.00 N ATOM 185 CA VAL A 29 -9.496 5.395 4.930 1.00 10.00 C ATOM 186 C VAL A 29 -8.085 5.158 5.458 1.00 10.00 C ATOM 187 O VAL A 29 -7.826 5.277 6.659 1.00 10.00 O ATOM 188 CB VAL A 29 -9.812 6.913 4.896 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.856 7.502 6.299 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.800 7.657 4.034 1.00 10.00 C ATOM 0 H VAL A 29 -10.431 4.865 6.727 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.563 5.024 3.907 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.800 7.035 4.451 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.080 8.567 6.240 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.630 7.001 6.880 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.890 7.361 6.783 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.042 8.720 4.025 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.800 7.516 4.443 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.834 7.269 3.016 1.00 10.00 H new ATOM 200 N VAL A 30 -7.183 4.793 4.563 1.00 10.00 N ATOM 201 CA VAL A 30 -5.805 4.536 4.937 1.00 10.00 C ATOM 202 C VAL A 30 -4.882 5.591 4.338 1.00 10.00 C ATOM 203 O VAL A 30 -4.834 5.776 3.119 1.00 10.00 O ATOM 204 CB VAL A 30 -5.343 3.131 4.492 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.013 2.776 5.134 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.394 2.080 4.831 1.00 10.00 C ATOM 0 H VAL A 30 -7.382 4.668 3.570 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.753 4.583 6.025 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.212 3.147 3.410 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.705 1.783 4.808 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.259 3.505 4.837 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.119 2.785 6.219 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.045 1.099 4.508 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.563 2.068 5.908 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.327 2.320 4.320 1.00 10.00 H new ATOM 216 N GLN A 31 -4.186 6.302 5.212 1.00 10.00 N ATOM 217 CA GLN A 31 -3.251 7.332 4.803 1.00 10.00 C ATOM 218 C GLN A 31 -1.981 6.665 4.300 1.00 10.00 C ATOM 219 O GLN A 31 -1.368 5.873 5.014 1.00 10.00 O ATOM 220 CB GLN A 31 -2.941 8.258 5.978 1.00 10.00 C ATOM 221 CG GLN A 31 -2.426 9.624 5.562 1.00 10.00 C ATOM 222 CD GLN A 31 -3.062 10.747 6.358 1.00 10.00 C ATOM 223 OE1 GLN A 31 -4.220 10.652 6.777 1.00 10.00 O ATOM 224 NE2 GLN A 31 -2.312 11.813 6.590 1.00 10.00 N ATOM 0 H GLN A 31 -4.255 6.180 6.222 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.687 7.933 4.005 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.844 8.387 6.575 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.200 7.780 6.619 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.344 9.657 5.692 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.624 9.777 4.501 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -1.360 11.855 6.227 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -2.687 12.592 7.131 1.00 10.00 H new ATOM 233 N PHE A 32 -1.598 6.975 3.077 1.00 10.00 N ATOM 234 CA PHE A 32 -0.425 6.370 2.476 1.00 10.00 C ATOM 235 C PHE A 32 0.779 7.304 2.494 1.00 10.00 C ATOM 236 O PHE A 32 0.829 8.284 1.748 1.00 10.00 O ATOM 237 CB PHE A 32 -0.741 5.967 1.036 1.00 10.00 C ATOM 238 CG PHE A 32 -0.850 4.483 0.820 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.031 3.810 1.091 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.227 3.765 0.332 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.133 2.448 0.876 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.132 2.405 0.118 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.050 1.745 0.390 1.00 10.00 C ATOM 0 H PHE A 32 -2.083 7.644 2.479 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.167 5.492 3.067 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.678 6.436 0.737 1.00 10.00 H new ATOM 0 HB3 PHE A 32 0.036 6.362 0.381 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.881 4.355 1.474 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.154 4.275 0.116 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.059 1.935 1.088 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.982 1.857 -0.262 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.127 0.681 0.223 1.00 10.00 H new ATOM 253 N LYS A 33 1.739 7.004 3.358 1.00 10.00 N ATOM 254 CA LYS A 33 2.963 7.780 3.433 1.00 10.00 C ATOM 255 C LYS A 33 3.948 7.197 2.441 1.00 10.00 C ATOM 256 O LYS A 33 4.561 6.156 2.696 1.00 10.00 O ATOM 257 CB LYS A 33 3.568 7.758 4.842 1.00 10.00 C ATOM 258 CG LYS A 33 5.031 8.198 4.867 1.00 10.00 C ATOM 259 CD LYS A 33 5.610 8.208 6.269 1.00 10.00 C ATOM 260 CE LYS A 33 7.129 8.338 6.243 1.00 10.00 C ATOM 261 NZ LYS A 33 7.787 7.146 5.636 1.00 10.00 N ATOM 0 H LYS A 33 1.691 6.227 4.017 1.00 10.00 H new ATOM 0 HA LYS A 33 2.739 8.820 3.197 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.986 8.411 5.492 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.490 6.750 5.250 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.619 7.529 4.239 1.00 10.00 H new ATOM 0 HG3 LYS A 33 5.115 9.195 4.436 1.00 10.00 H new ATOM 0 HD2 LYS A 33 5.182 9.035 6.835 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.331 7.290 6.786 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.406 9.229 5.680 1.00 10.00 H new ATOM 0 HE3 LYS A 33 7.497 8.476 7.260 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.817 7.287 5.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 7.559 6.300 6.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.444 7.018 4.663 1.00 10.00 H new ATOM 275 N ILE A 34 4.051 7.835 1.292 1.00 10.00 N ATOM 276 CA ILE A 34 4.944 7.375 0.244 1.00 10.00 C ATOM 277 C ILE A 34 5.636 8.569 -0.400 1.00 10.00 C ATOM 278 O ILE A 34 5.254 9.716 -0.167 1.00 10.00 O ATOM 279 CB ILE A 34 4.184 6.528 -0.829 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.010 7.293 -2.140 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.821 6.087 -0.316 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.398 6.470 -3.251 1.00 10.00 C ATOM 0 H ILE A 34 3.525 8.677 1.059 1.00 10.00 H new ATOM 0 HA ILE A 34 5.695 6.725 0.693 1.00 10.00 H new ATOM 0 HB ILE A 34 4.797 5.648 -1.022 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.383 8.166 -1.960 1.00 10.00 H new ATOM 0 HG13 ILE A 34 4.983 7.661 -2.467 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.316 5.500 -1.083 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.949 5.480 0.580 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.221 6.965 -0.077 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.306 7.081 -4.149 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.035 5.611 -3.461 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.411 6.124 -2.946 1.00 10.00 H new ATOM 294 N LYS A 35 6.672 8.312 -1.173 1.00 10.00 N ATOM 295 CA LYS A 35 7.379 9.377 -1.853 1.00 10.00 C ATOM 296 C LYS A 35 6.902 9.460 -3.295 1.00 10.00 C ATOM 297 O LYS A 35 6.396 8.483 -3.842 1.00 10.00 O ATOM 298 CB LYS A 35 8.888 9.152 -1.785 1.00 10.00 C ATOM 299 CG LYS A 35 9.496 9.595 -0.469 1.00 10.00 C ATOM 300 CD LYS A 35 10.710 8.760 -0.106 1.00 10.00 C ATOM 301 CE LYS A 35 11.350 9.245 1.181 1.00 10.00 C ATOM 302 NZ LYS A 35 12.354 8.283 1.703 1.00 10.00 N ATOM 0 H LYS A 35 7.042 7.377 -1.345 1.00 10.00 H new ATOM 0 HA LYS A 35 7.166 10.324 -1.357 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.099 8.094 -1.938 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.367 9.694 -2.601 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.782 10.645 -0.535 1.00 10.00 H new ATOM 0 HG3 LYS A 35 8.750 9.517 0.322 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.416 7.716 0.003 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.439 8.803 -0.915 1.00 10.00 H new ATOM 0 HE2 LYS A 35 11.828 10.209 1.007 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.577 9.404 1.932 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.083 8.798 2.237 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.885 7.598 2.329 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 12.797 7.779 0.909 1.00 10.00 H new ATOM 316 N ARG A 36 7.065 10.619 -3.913 1.00 10.00 N ATOM 317 CA ARG A 36 6.619 10.818 -5.288 1.00 10.00 C ATOM 318 C ARG A 36 7.392 9.927 -6.262 1.00 10.00 C ATOM 319 O ARG A 36 6.923 9.653 -7.368 1.00 10.00 O ATOM 320 CB ARG A 36 6.747 12.294 -5.680 1.00 10.00 C ATOM 321 CG ARG A 36 5.891 13.215 -4.822 1.00 10.00 C ATOM 322 CD ARG A 36 6.184 14.682 -5.096 1.00 10.00 C ATOM 323 NE ARG A 36 5.181 15.297 -5.968 1.00 10.00 N ATOM 324 CZ ARG A 36 4.221 16.127 -5.545 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.122 16.442 -4.259 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.366 16.648 -6.415 1.00 10.00 N ATOM 0 H ARG A 36 7.502 11.437 -3.487 1.00 10.00 H new ATOM 0 HA ARG A 36 5.569 10.531 -5.346 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.791 12.597 -5.598 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.462 12.412 -6.725 1.00 10.00 H new ATOM 0 HG2 ARG A 36 4.837 13.014 -5.014 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.070 13.000 -3.769 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.223 15.225 -4.152 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.168 14.774 -5.557 1.00 10.00 H new ATOM 0 HE ARG A 36 5.217 15.078 -6.964 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.781 16.050 -3.586 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.387 17.076 -3.944 1.00 10.00 H new ATOM 0 HH21 ARG A 36 3.441 16.416 -7.405 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.634 17.281 -6.094 1.00 10.00 H new ATOM 340 N HIS A 37 8.568 9.462 -5.842 1.00 10.00 N ATOM 341 CA HIS A 37 9.387 8.591 -6.681 1.00 10.00 C ATOM 342 C HIS A 37 9.072 7.123 -6.400 1.00 10.00 C ATOM 343 O HIS A 37 9.545 6.225 -7.100 1.00 10.00 O ATOM 344 CB HIS A 37 10.887 8.874 -6.464 1.00 10.00 C ATOM 345 CG HIS A 37 11.468 8.313 -5.191 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.962 7.027 -5.129 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.645 8.908 -3.986 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.420 6.869 -3.897 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.248 7.981 -3.172 1.00 10.00 N ATOM 0 H HIS A 37 8.973 9.673 -4.930 1.00 10.00 H new ATOM 0 HA HIS A 37 9.148 8.801 -7.724 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.443 8.467 -7.309 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.042 9.953 -6.471 1.00 10.00 H new ATOM 0 HD1 HIS A 37 11.972 6.337 -5.880 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.366 9.916 -3.718 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.873 5.962 -3.526 1.00 10.00 H new ATOM 357 N THR A 38 8.252 6.895 -5.384 1.00 10.00 N ATOM 358 CA THR A 38 7.873 5.555 -4.980 1.00 10.00 C ATOM 359 C THR A 38 6.780 4.988 -5.892 1.00 10.00 C ATOM 360 O THR A 38 5.727 5.598 -6.061 1.00 10.00 O ATOM 361 CB THR A 38 7.390 5.562 -3.519 1.00 10.00 C ATOM 362 OG1 THR A 38 8.399 6.149 -2.688 1.00 10.00 O ATOM 363 CG2 THR A 38 7.077 4.159 -3.030 1.00 10.00 C ATOM 0 H THR A 38 7.833 7.634 -4.820 1.00 10.00 H new ATOM 0 HA THR A 38 8.751 4.915 -5.067 1.00 10.00 H new ATOM 0 HB THR A 38 6.473 6.148 -3.465 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.353 5.757 -1.791 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.739 4.202 -1.995 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.293 3.724 -3.650 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.974 3.543 -3.094 1.00 10.00 H new ATOM 371 N PRO A 39 7.033 3.820 -6.507 1.00 10.00 N ATOM 372 CA PRO A 39 6.072 3.164 -7.408 1.00 10.00 C ATOM 373 C PRO A 39 4.746 2.827 -6.725 1.00 10.00 C ATOM 374 O PRO A 39 4.696 2.569 -5.518 1.00 10.00 O ATOM 375 CB PRO A 39 6.791 1.879 -7.832 1.00 10.00 C ATOM 376 CG PRO A 39 8.235 2.135 -7.573 1.00 10.00 C ATOM 377 CD PRO A 39 8.285 3.052 -6.389 1.00 10.00 C ATOM 0 HA PRO A 39 5.801 3.815 -8.239 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.435 1.022 -7.261 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.613 1.657 -8.884 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.766 1.205 -7.369 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.712 2.591 -8.440 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.331 2.498 -5.452 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.160 3.701 -6.419 1.00 10.00 H new ATOM 385 N LEU A 40 3.675 2.809 -7.512 1.00 10.00 N ATOM 386 CA LEU A 40 2.343 2.516 -6.997 1.00 10.00 C ATOM 387 C LEU A 40 2.109 1.012 -6.891 1.00 10.00 C ATOM 388 O LEU A 40 1.059 0.570 -6.420 1.00 10.00 O ATOM 389 CB LEU A 40 1.276 3.145 -7.891 1.00 10.00 C ATOM 390 CG LEU A 40 1.341 4.669 -8.005 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.308 5.174 -8.999 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.131 5.319 -6.644 1.00 10.00 C ATOM 0 H LEU A 40 3.705 2.995 -8.514 1.00 10.00 H new ATOM 0 HA LEU A 40 2.272 2.945 -5.997 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.363 2.717 -8.890 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.294 2.866 -7.509 1.00 10.00 H new ATOM 0 HG LEU A 40 2.332 4.942 -8.367 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.369 6.260 -9.067 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.502 4.738 -9.979 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.689 4.887 -8.665 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.181 6.403 -6.747 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.154 5.036 -6.253 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.908 4.984 -5.957 1.00 10.00 H new ATOM 404 N SER A 41 3.089 0.231 -7.329 1.00 10.00 N ATOM 405 CA SER A 41 2.994 -1.219 -7.270 1.00 10.00 C ATOM 406 C SER A 41 2.841 -1.681 -5.822 1.00 10.00 C ATOM 407 O SER A 41 1.952 -2.473 -5.498 1.00 10.00 O ATOM 408 CB SER A 41 4.235 -1.844 -7.903 1.00 10.00 C ATOM 409 OG SER A 41 5.409 -1.136 -7.528 1.00 10.00 O ATOM 0 H SER A 41 3.960 0.580 -7.729 1.00 10.00 H new ATOM 0 HA SER A 41 2.114 -1.542 -7.827 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.320 -2.886 -7.594 1.00 10.00 H new ATOM 0 HB3 SER A 41 4.135 -1.841 -8.988 1.00 10.00 H new ATOM 0 HG SER A 41 6.191 -1.556 -7.944 1.00 10.00 H new ATOM 415 N LYS A 42 3.699 -1.158 -4.951 1.00 10.00 N ATOM 416 CA LYS A 42 3.649 -1.502 -3.536 1.00 10.00 C ATOM 417 C LYS A 42 2.377 -0.953 -2.906 1.00 10.00 C ATOM 418 O LYS A 42 1.852 -1.520 -1.956 1.00 10.00 O ATOM 419 CB LYS A 42 4.877 -0.969 -2.781 1.00 10.00 C ATOM 420 CG LYS A 42 5.778 -0.047 -3.596 1.00 10.00 C ATOM 421 CD LYS A 42 6.770 0.704 -2.713 1.00 10.00 C ATOM 422 CE LYS A 42 7.672 -0.240 -1.927 1.00 10.00 C ATOM 423 NZ LYS A 42 8.583 -1.018 -2.809 1.00 10.00 N ATOM 0 H LYS A 42 4.434 -0.497 -5.200 1.00 10.00 H new ATOM 0 HA LYS A 42 3.652 -2.589 -3.460 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.537 -0.432 -1.896 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.468 -1.816 -2.432 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.322 -0.633 -4.337 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.165 0.669 -4.144 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.384 1.357 -3.333 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.224 1.344 -2.019 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.264 0.336 -1.215 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.057 -0.928 -1.347 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.393 -1.362 -2.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.069 -1.828 -3.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.925 -0.408 -3.579 1.00 10.00 H new ATOM 437 N LEU A 43 1.874 0.139 -3.464 1.00 10.00 N ATOM 438 CA LEU A 43 0.664 0.780 -2.963 1.00 10.00 C ATOM 439 C LEU A 43 -0.552 -0.127 -3.121 1.00 10.00 C ATOM 440 O LEU A 43 -1.379 -0.244 -2.215 1.00 10.00 O ATOM 441 CB LEU A 43 0.441 2.101 -3.706 1.00 10.00 C ATOM 442 CG LEU A 43 -0.607 3.035 -3.105 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.078 4.460 -3.078 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.906 2.961 -3.896 1.00 10.00 C ATOM 0 H LEU A 43 2.289 0.604 -4.271 1.00 10.00 H new ATOM 0 HA LEU A 43 0.793 0.976 -1.899 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.391 2.634 -3.753 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.152 1.874 -4.732 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.814 2.719 -2.083 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -0.832 5.120 -2.648 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.828 4.500 -2.473 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.150 4.783 -4.094 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.641 3.633 -3.453 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.720 3.256 -4.929 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.288 1.940 -3.873 1.00 10.00 H new ATOM 456 N MET A 44 -0.651 -0.777 -4.268 1.00 10.00 N ATOM 457 CA MET A 44 -1.774 -1.662 -4.547 1.00 10.00 C ATOM 458 C MET A 44 -1.631 -3.001 -3.825 1.00 10.00 C ATOM 459 O MET A 44 -2.625 -3.672 -3.550 1.00 10.00 O ATOM 460 CB MET A 44 -1.901 -1.891 -6.056 1.00 10.00 C ATOM 461 CG MET A 44 -2.361 -0.658 -6.821 1.00 10.00 C ATOM 462 SD MET A 44 -2.490 -0.942 -8.599 1.00 10.00 S ATOM 463 CE MET A 44 -0.761 -1.027 -9.054 1.00 10.00 C ATOM 0 H MET A 44 0.032 -0.710 -5.023 1.00 10.00 H new ATOM 0 HA MET A 44 -2.677 -1.178 -4.176 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.937 -2.214 -6.449 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.606 -2.703 -6.234 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.330 -0.340 -6.438 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.662 0.158 -6.638 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.668 -0.985 -10.139 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.226 -0.187 -8.611 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.334 -1.961 -8.689 1.00 10.00 H new ATOM 473 N LYS A 45 -0.402 -3.378 -3.494 1.00 10.00 N ATOM 474 CA LYS A 45 -0.162 -4.654 -2.830 1.00 10.00 C ATOM 475 C LYS A 45 -0.159 -4.543 -1.306 1.00 10.00 C ATOM 476 O LYS A 45 -0.711 -5.410 -0.631 1.00 10.00 O ATOM 477 CB LYS A 45 1.147 -5.273 -3.318 1.00 10.00 C ATOM 478 CG LYS A 45 1.014 -5.955 -4.669 1.00 10.00 C ATOM 479 CD LYS A 45 2.251 -6.763 -5.018 1.00 10.00 C ATOM 480 CE LYS A 45 3.415 -5.866 -5.398 1.00 10.00 C ATOM 481 NZ LYS A 45 4.618 -6.651 -5.776 1.00 10.00 N ATOM 0 H LYS A 45 0.436 -2.825 -3.672 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.995 -5.305 -3.097 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.908 -4.495 -3.383 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.495 -5.999 -2.583 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.143 -6.610 -4.661 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.841 -5.204 -5.440 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.532 -7.385 -4.168 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.025 -7.437 -5.845 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.123 -5.225 -6.230 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.657 -5.211 -4.561 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.391 -6.002 -6.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.912 -7.244 -4.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.395 -7.258 -6.591 1.00 10.00 H new ATOM 495 N ALA A 46 0.446 -3.488 -0.766 1.00 10.00 N ATOM 496 CA ALA A 46 0.516 -3.301 0.688 1.00 10.00 C ATOM 497 C ALA A 46 -0.875 -3.311 1.317 1.00 10.00 C ATOM 498 O ALA A 46 -1.127 -4.024 2.288 1.00 10.00 O ATOM 499 CB ALA A 46 1.238 -2.005 1.028 1.00 10.00 C ATOM 0 H ALA A 46 0.895 -2.750 -1.308 1.00 10.00 H new ATOM 0 HA ALA A 46 1.080 -4.137 1.102 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.279 -1.885 2.111 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.251 -2.037 0.627 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.701 -1.164 0.590 1.00 10.00 H new ATOM 505 N TYR A 47 -1.776 -2.523 0.745 1.00 10.00 N ATOM 506 CA TYR A 47 -3.143 -2.442 1.234 1.00 10.00 C ATOM 507 C TYR A 47 -3.859 -3.777 1.040 1.00 10.00 C ATOM 508 O TYR A 47 -4.667 -4.194 1.873 1.00 10.00 O ATOM 509 CB TYR A 47 -3.891 -1.322 0.505 1.00 10.00 C ATOM 510 CG TYR A 47 -5.373 -1.284 0.793 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.292 -1.778 -0.126 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.853 -0.761 1.986 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.647 -1.750 0.135 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.208 -0.729 2.253 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.099 -1.226 1.326 1.00 10.00 C ATOM 516 OH TYR A 47 -9.449 -1.200 1.592 1.00 10.00 O ATOM 0 H TYR A 47 -1.582 -1.929 -0.061 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.124 -2.217 2.300 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.452 -0.364 0.785 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.743 -1.439 -0.569 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.940 -2.191 -1.060 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.157 -0.374 2.716 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.348 -2.136 -0.590 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.568 -0.316 3.184 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.601 -0.800 2.474 1.00 10.00 H new ATOM 526 N CYS A 48 -3.532 -4.453 -0.052 1.00 10.00 N ATOM 527 CA CYS A 48 -4.136 -5.736 -0.376 1.00 10.00 C ATOM 528 C CYS A 48 -3.751 -6.799 0.656 1.00 10.00 C ATOM 529 O CYS A 48 -4.583 -7.616 1.059 1.00 10.00 O ATOM 530 CB CYS A 48 -3.701 -6.173 -1.773 1.00 10.00 C ATOM 531 SG CYS A 48 -4.770 -7.412 -2.527 1.00 10.00 S ATOM 0 H CYS A 48 -2.845 -4.130 -0.734 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.220 -5.624 -0.356 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.666 -5.297 -2.421 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.687 -6.569 -1.718 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.367 -8.599 -2.184 1.00 10.00 H new ATOM 537 N GLU A 49 -2.493 -6.778 1.090 1.00 10.00 N ATOM 538 CA GLU A 49 -2.009 -7.736 2.077 1.00 10.00 C ATOM 539 C GLU A 49 -2.695 -7.512 3.423 1.00 10.00 C ATOM 540 O GLU A 49 -2.858 -8.442 4.213 1.00 10.00 O ATOM 541 CB GLU A 49 -0.490 -7.622 2.240 1.00 10.00 C ATOM 542 CG GLU A 49 0.298 -7.975 0.985 1.00 10.00 C ATOM 543 CD GLU A 49 0.077 -9.401 0.523 1.00 10.00 C ATOM 544 OE1 GLU A 49 -0.159 -10.281 1.375 1.00 10.00 O ATOM 545 OE2 GLU A 49 0.152 -9.651 -0.700 1.00 10.00 O ATOM 0 H GLU A 49 -1.792 -6.108 0.773 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.249 -8.738 1.722 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.243 -6.603 2.537 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.172 -8.276 3.052 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.017 -7.292 0.183 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.360 -7.822 1.176 1.00 10.00 H new ATOM 552 N ARG A 50 -3.098 -6.271 3.675 1.00 10.00 N ATOM 553 CA ARG A 50 -3.774 -5.924 4.920 1.00 10.00 C ATOM 554 C ARG A 50 -5.174 -6.522 4.958 1.00 10.00 C ATOM 555 O ARG A 50 -5.601 -7.074 5.971 1.00 10.00 O ATOM 556 CB ARG A 50 -3.869 -4.406 5.077 1.00 10.00 C ATOM 557 CG ARG A 50 -2.741 -3.795 5.887 1.00 10.00 C ATOM 558 CD ARG A 50 -3.084 -2.379 6.310 1.00 10.00 C ATOM 559 NE ARG A 50 -2.070 -1.801 7.187 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.310 -0.824 8.056 1.00 10.00 C ATOM 561 NH1 ARG A 50 -3.528 -0.309 8.163 1.00 10.00 N ATOM 562 NH2 ARG A 50 -1.325 -0.356 8.810 1.00 10.00 N ATOM 0 H ARG A 50 -2.968 -5.489 3.034 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.187 -6.334 5.742 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.880 -3.949 4.087 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.818 -4.159 5.553 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -2.549 -4.406 6.769 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.825 -3.791 5.297 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.193 -1.754 5.424 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.047 -2.378 6.821 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.120 -2.169 7.130 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -4.284 -0.663 7.577 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.708 0.441 8.831 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -0.386 -0.746 8.722 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -1.506 0.394 9.478 1.00 10.00 H new ATOM 576 N GLN A 51 -5.886 -6.409 3.846 1.00 10.00 N ATOM 577 CA GLN A 51 -7.240 -6.934 3.760 1.00 10.00 C ATOM 578 C GLN A 51 -7.223 -8.446 3.575 1.00 10.00 C ATOM 579 O GLN A 51 -8.201 -9.130 3.881 1.00 10.00 O ATOM 580 CB GLN A 51 -8.008 -6.264 2.615 1.00 10.00 C ATOM 581 CG GLN A 51 -8.107 -4.744 2.737 1.00 10.00 C ATOM 582 CD GLN A 51 -8.339 -4.279 4.164 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.394 -3.977 4.891 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.595 -4.216 4.574 1.00 10.00 N ATOM 0 H GLN A 51 -5.550 -5.960 2.994 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.750 -6.709 4.697 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.521 -6.511 1.672 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -9.014 -6.681 2.574 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -7.189 -4.294 2.358 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.921 -4.386 2.107 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.352 -4.475 3.941 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -9.807 -3.908 5.523 1.00 10.00 H new ATOM 593 N GLY A 52 -6.111 -8.956 3.069 1.00 10.00 N ATOM 594 CA GLY A 52 -5.971 -10.382 2.861 1.00 10.00 C ATOM 595 C GLY A 52 -6.661 -10.853 1.600 1.00 10.00 C ATOM 596 O GLY A 52 -7.450 -11.798 1.632 1.00 10.00 O ATOM 0 H GLY A 52 -5.298 -8.404 2.797 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.912 -10.636 2.809 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.385 -10.913 3.718 1.00 10.00 H new ATOM 600 N LEU A 53 -6.369 -10.190 0.490 1.00 10.00 N ATOM 601 CA LEU A 53 -6.966 -10.539 -0.793 1.00 10.00 C ATOM 602 C LEU A 53 -5.911 -10.528 -1.889 1.00 10.00 C ATOM 603 O LEU A 53 -4.736 -10.260 -1.626 1.00 10.00 O ATOM 604 CB LEU A 53 -8.090 -9.556 -1.144 1.00 10.00 C ATOM 605 CG LEU A 53 -9.299 -9.579 -0.207 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.204 -8.388 -0.477 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.073 -10.878 -0.367 1.00 10.00 C ATOM 0 H LEU A 53 -5.720 -9.404 0.452 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.385 -11.542 -0.715 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.678 -8.547 -1.152 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.433 -9.769 -2.157 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.939 -9.515 0.820 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.059 -8.420 0.198 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.648 -7.465 -0.315 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.555 -8.424 -1.508 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.929 -10.877 0.307 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.421 -10.970 -1.396 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.424 -11.720 -0.127 1.00 10.00 H new ATOM 619 N SER A 54 -6.328 -10.837 -3.105 1.00 10.00 N ATOM 620 CA SER A 54 -5.432 -10.838 -4.247 1.00 10.00 C ATOM 621 C SER A 54 -5.567 -9.511 -4.985 1.00 10.00 C ATOM 622 O SER A 54 -6.660 -8.947 -5.051 1.00 10.00 O ATOM 623 CB SER A 54 -5.759 -12.008 -5.181 1.00 10.00 C ATOM 624 OG SER A 54 -4.578 -12.624 -5.672 1.00 10.00 O ATOM 0 H SER A 54 -7.290 -11.092 -3.327 1.00 10.00 H new ATOM 0 HA SER A 54 -4.404 -10.958 -3.904 1.00 10.00 H new ATOM 0 HB2 SER A 54 -6.361 -12.744 -4.648 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.360 -11.651 -6.017 1.00 10.00 H new ATOM 0 HG SER A 54 -4.818 -13.368 -6.263 1.00 10.00 H new ATOM 630 N MET A 55 -4.466 -9.017 -5.546 1.00 10.00 N ATOM 631 CA MET A 55 -4.477 -7.740 -6.259 1.00 10.00 C ATOM 632 C MET A 55 -5.383 -7.791 -7.487 1.00 10.00 C ATOM 633 O MET A 55 -5.811 -6.758 -7.996 1.00 10.00 O ATOM 634 CB MET A 55 -3.058 -7.345 -6.673 1.00 10.00 C ATOM 635 CG MET A 55 -2.804 -5.846 -6.600 1.00 10.00 C ATOM 636 SD MET A 55 -1.327 -5.342 -7.502 1.00 10.00 S ATOM 637 CE MET A 55 -1.916 -5.461 -9.190 1.00 10.00 C ATOM 0 H MET A 55 -3.557 -9.479 -5.522 1.00 10.00 H new ATOM 0 HA MET A 55 -4.873 -6.988 -5.577 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.343 -7.859 -6.030 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.875 -7.688 -7.691 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.668 -5.316 -7.002 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.705 -5.549 -5.556 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.307 -6.180 -9.738 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.955 -5.790 -9.190 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.844 -4.485 -9.670 1.00 10.00 H new ATOM 647 N ARG A 56 -5.675 -8.996 -7.955 1.00 10.00 N ATOM 648 CA ARG A 56 -6.537 -9.174 -9.115 1.00 10.00 C ATOM 649 C ARG A 56 -8.006 -9.248 -8.695 1.00 10.00 C ATOM 650 O ARG A 56 -8.898 -9.344 -9.538 1.00 10.00 O ATOM 651 CB ARG A 56 -6.144 -10.446 -9.869 1.00 10.00 C ATOM 652 CG ARG A 56 -6.610 -10.476 -11.317 1.00 10.00 C ATOM 653 CD ARG A 56 -6.116 -11.726 -12.025 1.00 10.00 C ATOM 654 NE ARG A 56 -6.523 -11.764 -13.428 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.080 -12.665 -14.303 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.218 -13.598 -13.921 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.499 -12.629 -15.561 1.00 10.00 N ATOM 0 H ARG A 56 -5.328 -9.865 -7.549 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.410 -8.314 -9.772 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.059 -10.550 -9.845 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.558 -11.308 -9.347 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.699 -10.441 -11.353 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.245 -9.591 -11.838 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.029 -11.771 -11.963 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.501 -12.608 -11.513 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.184 -11.060 -13.756 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.893 -13.627 -12.955 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.881 -14.287 -14.594 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.160 -11.911 -15.858 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.160 -13.319 -16.231 1.00 10.00 H new ATOM 671 N GLN A 57 -8.253 -9.214 -7.390 1.00 10.00 N ATOM 672 CA GLN A 57 -9.616 -9.276 -6.866 1.00 10.00 C ATOM 673 C GLN A 57 -10.172 -7.874 -6.646 1.00 10.00 C ATOM 674 O GLN A 57 -11.387 -7.666 -6.646 1.00 10.00 O ATOM 675 CB GLN A 57 -9.649 -10.063 -5.554 1.00 10.00 C ATOM 676 CG GLN A 57 -9.715 -11.572 -5.744 1.00 10.00 C ATOM 677 CD GLN A 57 -9.555 -12.329 -4.440 1.00 10.00 C ATOM 678 OE1 GLN A 57 -8.828 -11.902 -3.545 1.00 10.00 O ATOM 679 NE2 GLN A 57 -10.231 -13.460 -4.328 1.00 10.00 N ATOM 0 H GLN A 57 -7.529 -9.144 -6.675 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.239 -9.787 -7.600 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.761 -9.818 -4.972 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -10.511 -9.742 -4.970 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -10.670 -11.836 -6.199 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.934 -11.882 -6.439 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.823 -13.778 -5.095 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.160 -14.014 -3.475 1.00 10.00 H new ATOM 688 N ILE A 58 -9.278 -6.916 -6.467 1.00 10.00 N ATOM 689 CA ILE A 58 -9.675 -5.533 -6.249 1.00 10.00 C ATOM 690 C ILE A 58 -9.169 -4.648 -7.380 1.00 10.00 C ATOM 691 O ILE A 58 -8.222 -5.004 -8.079 1.00 10.00 O ATOM 692 CB ILE A 58 -9.150 -4.994 -4.902 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.647 -5.258 -4.764 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.915 -5.623 -3.747 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.045 -4.702 -3.490 1.00 10.00 C ATOM 0 H ILE A 58 -8.270 -7.070 -6.468 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.765 -5.510 -6.226 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.309 -3.916 -4.875 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.471 -6.333 -4.799 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.131 -4.823 -5.619 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.534 -5.233 -2.803 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.974 -5.382 -3.838 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.786 -6.705 -3.771 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.979 -4.928 -3.463 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.188 -3.622 -3.461 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.534 -5.156 -2.628 1.00 10.00 H new ATOM 707 N ARG A 59 -9.808 -3.504 -7.566 1.00 10.00 N ATOM 708 CA ARG A 59 -9.422 -2.572 -8.613 1.00 10.00 C ATOM 709 C ARG A 59 -9.240 -1.175 -8.042 1.00 10.00 C ATOM 710 O ARG A 59 -9.973 -0.762 -7.147 1.00 10.00 O ATOM 711 CB ARG A 59 -10.468 -2.552 -9.732 1.00 10.00 C ATOM 712 CG ARG A 59 -10.588 -3.871 -10.483 1.00 10.00 C ATOM 713 CD ARG A 59 -9.265 -4.270 -11.117 1.00 10.00 C ATOM 714 NE ARG A 59 -9.356 -5.543 -11.828 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.304 -6.317 -12.097 1.00 10.00 C ATOM 716 NH1 ARG A 59 -7.088 -5.954 -11.706 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.464 -7.443 -12.777 1.00 10.00 N ATOM 0 H ARG A 59 -10.601 -3.198 -7.002 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.472 -2.906 -9.032 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.438 -2.298 -9.305 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.214 -1.763 -10.440 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.916 -4.653 -9.798 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.352 -3.783 -11.256 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.946 -3.491 -11.809 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.500 -4.341 -10.344 1.00 10.00 H new ATOM 0 HE ARG A 59 -10.276 -5.857 -12.136 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -6.956 -5.080 -11.198 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -6.286 -6.549 -11.914 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.393 -7.719 -13.096 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.658 -8.034 -12.982 1.00 10.00 H new ATOM 731 N PHE A 60 -8.253 -0.456 -8.556 1.00 10.00 N ATOM 732 CA PHE A 60 -7.972 0.896 -8.097 1.00 10.00 C ATOM 733 C PHE A 60 -8.213 1.901 -9.219 1.00 10.00 C ATOM 734 O PHE A 60 -7.930 1.619 -10.385 1.00 10.00 O ATOM 735 CB PHE A 60 -6.529 1.000 -7.602 1.00 10.00 C ATOM 736 CG PHE A 60 -6.251 0.183 -6.371 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.894 -1.153 -6.475 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.347 0.751 -5.111 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.635 -1.904 -5.346 1.00 10.00 C ATOM 740 CE2 PHE A 60 -6.090 0.003 -3.977 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.733 -1.325 -4.095 1.00 10.00 C ATOM 0 H PHE A 60 -7.632 -0.788 -9.294 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.645 1.126 -7.271 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.857 0.680 -8.399 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.301 2.045 -7.393 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.818 -1.611 -7.450 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.626 1.790 -5.014 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.356 -2.943 -5.440 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -6.168 0.457 -3.000 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.530 -1.911 -3.211 1.00 10.00 H new ATOM 751 N ARG A 61 -8.742 3.064 -8.869 1.00 10.00 N ATOM 752 CA ARG A 61 -9.021 4.101 -9.852 1.00 10.00 C ATOM 753 C ARG A 61 -8.485 5.454 -9.402 1.00 10.00 C ATOM 754 O ARG A 61 -8.446 5.758 -8.207 1.00 10.00 O ATOM 755 CB ARG A 61 -10.525 4.214 -10.112 1.00 10.00 C ATOM 756 CG ARG A 61 -10.994 3.471 -11.352 1.00 10.00 C ATOM 757 CD ARG A 61 -12.391 3.903 -11.764 1.00 10.00 C ATOM 758 NE ARG A 61 -12.829 3.225 -12.983 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.881 3.592 -13.712 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.613 4.635 -13.353 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.194 2.915 -14.810 1.00 10.00 N ATOM 0 H ARG A 61 -8.987 3.314 -7.911 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.515 3.813 -10.774 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -11.063 3.830 -9.245 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.789 5.267 -10.210 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.299 3.653 -12.172 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.986 2.398 -11.160 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -13.091 3.689 -10.957 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.407 4.981 -11.922 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.292 2.416 -13.296 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.372 5.162 -12.514 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.418 4.911 -13.916 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.629 2.115 -15.094 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.000 3.195 -15.369 1.00 10.00 H new ATOM 775 N PHE A 62 -8.067 6.249 -10.374 1.00 10.00 N ATOM 776 CA PHE A 62 -7.550 7.586 -10.130 1.00 10.00 C ATOM 777 C PHE A 62 -7.956 8.493 -11.288 1.00 10.00 C ATOM 778 O PHE A 62 -7.627 8.210 -12.442 1.00 10.00 O ATOM 779 CB PHE A 62 -6.025 7.566 -9.983 1.00 10.00 C ATOM 780 CG PHE A 62 -5.435 8.917 -9.701 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.687 9.559 -8.499 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.631 9.549 -10.638 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.152 10.802 -8.238 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.094 10.793 -10.382 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.355 11.421 -9.180 1.00 10.00 C ATOM 0 H PHE A 62 -8.077 5.984 -11.359 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.969 7.965 -9.198 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.754 6.884 -9.177 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.585 7.169 -10.898 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.310 9.080 -7.758 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.423 9.061 -11.579 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.356 11.291 -7.297 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.470 11.275 -11.120 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.936 12.396 -8.977 1.00 10.00 H new ATOM 795 N ASP A 63 -8.693 9.559 -10.974 1.00 10.00 N ATOM 796 CA ASP A 63 -9.176 10.513 -11.980 1.00 10.00 C ATOM 797 C ASP A 63 -10.127 9.820 -12.956 1.00 10.00 C ATOM 798 O ASP A 63 -10.317 10.256 -14.092 1.00 10.00 O ATOM 799 CB ASP A 63 -8.002 11.168 -12.728 1.00 10.00 C ATOM 800 CG ASP A 63 -8.422 12.388 -13.529 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.015 13.318 -12.945 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.159 12.429 -14.749 1.00 10.00 O ATOM 0 H ASP A 63 -8.972 9.787 -10.020 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.724 11.303 -11.467 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.235 11.457 -12.009 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.551 10.437 -13.398 1.00 10.00 H new ATOM 807 N GLY A 64 -10.734 8.731 -12.493 1.00 10.00 N ATOM 808 CA GLY A 64 -11.659 7.980 -13.317 1.00 10.00 C ATOM 809 C GLY A 64 -10.964 6.953 -14.187 1.00 10.00 C ATOM 810 O GLY A 64 -11.617 6.182 -14.891 1.00 10.00 O ATOM 0 H GLY A 64 -10.599 8.355 -11.555 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.384 7.477 -12.677 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.217 8.669 -13.951 1.00 10.00 H new ATOM 814 N GLN A 65 -9.640 6.932 -14.132 1.00 10.00 N ATOM 815 CA GLN A 65 -8.854 6.000 -14.930 1.00 10.00 C ATOM 816 C GLN A 65 -8.289 4.891 -14.050 1.00 10.00 C ATOM 817 O GLN A 65 -8.088 5.089 -12.851 1.00 10.00 O ATOM 818 CB GLN A 65 -7.703 6.737 -15.628 1.00 10.00 C ATOM 819 CG GLN A 65 -8.076 8.114 -16.150 1.00 10.00 C ATOM 820 CD GLN A 65 -9.176 8.071 -17.189 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.261 7.136 -17.989 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.030 9.079 -17.179 1.00 10.00 N ATOM 0 H GLN A 65 -9.085 7.552 -13.541 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.507 5.559 -15.683 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.873 6.838 -14.929 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.347 6.129 -16.460 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.395 8.739 -15.316 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.193 8.585 -16.582 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.922 9.832 -16.499 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.797 9.104 -17.851 1.00 10.00 H new ATOM 831 N PRO A 66 -8.056 3.700 -14.622 1.00 10.00 N ATOM 832 CA PRO A 66 -7.494 2.572 -13.880 1.00 10.00 C ATOM 833 C PRO A 66 -6.009 2.779 -13.591 1.00 10.00 C ATOM 834 O PRO A 66 -5.319 3.487 -14.329 1.00 10.00 O ATOM 835 CB PRO A 66 -7.702 1.386 -14.825 1.00 10.00 C ATOM 836 CG PRO A 66 -7.734 1.984 -16.189 1.00 10.00 C ATOM 837 CD PRO A 66 -8.333 3.356 -16.031 1.00 10.00 C ATOM 0 HA PRO A 66 -7.965 2.435 -12.907 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.895 0.660 -14.731 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.631 0.861 -14.602 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.731 2.043 -16.612 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.331 1.374 -16.868 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.878 4.073 -16.715 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.403 3.352 -16.239 1.00 10.00 H new ATOM 845 N ILE A 67 -5.522 2.181 -12.513 1.00 10.00 N ATOM 846 CA ILE A 67 -4.120 2.314 -12.145 1.00 10.00 C ATOM 847 C ILE A 67 -3.332 1.084 -12.579 1.00 10.00 C ATOM 848 O ILE A 67 -3.734 -0.053 -12.318 1.00 10.00 O ATOM 849 CB ILE A 67 -3.945 2.531 -10.627 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.808 3.708 -10.157 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.478 2.774 -10.289 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.626 4.053 -8.693 1.00 10.00 C ATOM 0 H ILE A 67 -6.074 1.602 -11.881 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.734 3.193 -12.662 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.272 1.631 -10.106 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.570 4.585 -10.760 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.857 3.472 -10.338 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.372 2.925 -9.215 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.887 1.911 -10.594 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.125 3.660 -10.816 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.269 4.895 -8.435 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.892 3.192 -8.080 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.586 4.321 -8.509 1.00 10.00 H new ATOM 864 N ASN A 68 -2.218 1.320 -13.253 1.00 10.00 N ATOM 865 CA ASN A 68 -1.367 0.243 -13.728 1.00 10.00 C ATOM 866 C ASN A 68 -0.159 0.072 -12.817 1.00 10.00 C ATOM 867 O ASN A 68 0.189 0.974 -12.055 1.00 10.00 O ATOM 868 CB ASN A 68 -0.913 0.510 -15.167 1.00 10.00 C ATOM 869 CG ASN A 68 -2.029 0.305 -16.176 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.244 -0.806 -16.664 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.747 1.370 -16.495 1.00 10.00 N ATOM 0 H ASN A 68 -1.881 2.255 -13.484 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.946 -0.680 -13.712 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.541 1.532 -15.244 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.081 -0.151 -15.411 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.510 1.288 -17.167 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.537 2.273 -16.069 1.00 10.00 H new ATOM 878 N GLU A 69 0.491 -1.081 -12.915 1.00 10.00 N ATOM 879 CA GLU A 69 1.659 -1.387 -12.091 1.00 10.00 C ATOM 880 C GLU A 69 2.932 -0.807 -12.701 1.00 10.00 C ATOM 881 O GLU A 69 4.037 -1.266 -12.413 1.00 10.00 O ATOM 882 CB GLU A 69 1.815 -2.903 -11.942 1.00 10.00 C ATOM 883 CG GLU A 69 0.534 -3.619 -11.552 1.00 10.00 C ATOM 884 CD GLU A 69 0.588 -5.105 -11.846 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.935 -5.885 -10.938 1.00 10.00 O ATOM 886 OE2 GLU A 69 0.277 -5.502 -12.991 1.00 10.00 O ATOM 0 H GLU A 69 0.229 -1.826 -13.561 1.00 10.00 H new ATOM 0 HA GLU A 69 1.504 -0.934 -11.112 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.178 -3.315 -12.884 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.577 -3.108 -11.190 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.347 -3.469 -10.489 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.304 -3.176 -12.089 1.00 10.00 H new ATOM 893 N THR A 70 2.776 0.203 -13.543 1.00 10.00 N ATOM 894 CA THR A 70 3.915 0.826 -14.198 1.00 10.00 C ATOM 895 C THR A 70 3.900 2.341 -14.025 1.00 10.00 C ATOM 896 O THR A 70 4.602 3.059 -14.735 1.00 10.00 O ATOM 897 CB THR A 70 3.926 0.488 -15.701 1.00 10.00 C ATOM 898 OG1 THR A 70 2.579 0.341 -16.176 1.00 10.00 O ATOM 899 CG2 THR A 70 4.706 -0.793 -15.967 1.00 10.00 C ATOM 0 H THR A 70 1.873 0.608 -13.788 1.00 10.00 H new ATOM 0 HA THR A 70 4.815 0.430 -13.727 1.00 10.00 H new ATOM 0 HB THR A 70 4.415 1.305 -16.232 1.00 10.00 H new ATOM 0 HG1 THR A 70 2.591 0.128 -17.132 1.00 10.00 H new ATOM 0 HG21 THR A 70 4.698 -1.009 -17.035 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.735 -0.669 -15.629 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.244 -1.619 -15.427 1.00 10.00 H new ATOM 907 N ASP A 71 3.121 2.826 -13.067 1.00 10.00 N ATOM 908 CA ASP A 71 3.020 4.264 -12.838 1.00 10.00 C ATOM 909 C ASP A 71 3.460 4.651 -11.432 1.00 10.00 C ATOM 910 O ASP A 71 3.568 3.804 -10.542 1.00 10.00 O ATOM 911 CB ASP A 71 1.589 4.745 -13.078 1.00 10.00 C ATOM 912 CG ASP A 71 1.256 4.852 -14.551 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.592 3.938 -15.081 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.657 5.851 -15.186 1.00 10.00 O ATOM 0 H ASP A 71 2.555 2.253 -12.441 1.00 10.00 H new ATOM 0 HA ASP A 71 3.692 4.748 -13.546 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.892 4.057 -12.600 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.451 5.718 -12.605 1.00 10.00 H new ATOM 919 N THR A 72 3.720 5.940 -11.254 1.00 10.00 N ATOM 920 CA THR A 72 4.142 6.493 -9.977 1.00 10.00 C ATOM 921 C THR A 72 3.389 7.800 -9.729 1.00 10.00 C ATOM 922 O THR A 72 2.786 8.341 -10.661 1.00 10.00 O ATOM 923 CB THR A 72 5.665 6.772 -9.961 1.00 10.00 C ATOM 924 OG1 THR A 72 6.015 7.658 -11.033 1.00 10.00 O ATOM 925 CG2 THR A 72 6.465 5.484 -10.090 1.00 10.00 C ATOM 0 H THR A 72 3.643 6.634 -11.997 1.00 10.00 H new ATOM 0 HA THR A 72 3.919 5.767 -9.195 1.00 10.00 H new ATOM 0 HB THR A 72 5.908 7.236 -9.005 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.980 7.830 -11.014 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.530 5.714 -10.075 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.225 4.822 -9.258 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.213 4.992 -11.029 1.00 10.00 H new ATOM 933 N PRO A 73 3.390 8.330 -8.489 1.00 10.00 N ATOM 934 CA PRO A 73 2.708 9.592 -8.180 1.00 10.00 C ATOM 935 C PRO A 73 3.218 10.723 -9.061 1.00 10.00 C ATOM 936 O PRO A 73 2.444 11.553 -9.534 1.00 10.00 O ATOM 937 CB PRO A 73 3.065 9.852 -6.714 1.00 10.00 C ATOM 938 CG PRO A 73 3.410 8.516 -6.164 1.00 10.00 C ATOM 939 CD PRO A 73 4.026 7.746 -7.297 1.00 10.00 C ATOM 0 HA PRO A 73 1.634 9.537 -8.355 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.903 10.544 -6.628 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.228 10.297 -6.176 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.106 8.606 -5.330 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.522 8.009 -5.785 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.109 7.863 -7.321 1.00 10.00 H new ATOM 0 HD3 PRO A 73 3.823 6.678 -7.215 1.00 10.00 H new ATOM 947 N ALA A 74 4.526 10.726 -9.296 1.00 10.00 N ATOM 948 CA ALA A 74 5.153 11.742 -10.127 1.00 10.00 C ATOM 949 C ALA A 74 4.800 11.541 -11.598 1.00 10.00 C ATOM 950 O ALA A 74 4.703 12.500 -12.356 1.00 10.00 O ATOM 951 CB ALA A 74 6.664 11.715 -9.941 1.00 10.00 C ATOM 0 H ALA A 74 5.173 10.033 -8.920 1.00 10.00 H new ATOM 0 HA ALA A 74 4.774 12.716 -9.816 1.00 10.00 H new ATOM 0 HB1 ALA A 74 7.122 12.480 -10.568 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.906 11.910 -8.896 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.048 10.735 -10.225 1.00 10.00 H new ATOM 957 N GLN A 75 4.614 10.290 -11.996 1.00 10.00 N ATOM 958 CA GLN A 75 4.273 9.972 -13.380 1.00 10.00 C ATOM 959 C GLN A 75 2.828 10.355 -13.685 1.00 10.00 C ATOM 960 O GLN A 75 2.497 10.727 -14.810 1.00 10.00 O ATOM 961 CB GLN A 75 4.488 8.481 -13.649 1.00 10.00 C ATOM 962 CG GLN A 75 4.499 8.116 -15.123 1.00 10.00 C ATOM 963 CD GLN A 75 5.598 8.823 -15.895 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.641 9.172 -15.341 1.00 10.00 O ATOM 965 NE2 GLN A 75 5.370 9.046 -17.178 1.00 10.00 N ATOM 0 H GLN A 75 4.693 9.479 -11.383 1.00 10.00 H new ATOM 0 HA GLN A 75 4.927 10.549 -14.033 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.433 8.174 -13.202 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.701 7.915 -13.151 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.625 7.038 -15.225 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.533 8.367 -15.562 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.493 8.741 -17.601 1.00 10.00 H new ATOM 0 HE22 GLN A 75 6.071 9.523 -17.745 1.00 10.00 H new ATOM 974 N LEU A 76 1.968 10.255 -12.682 1.00 10.00 N ATOM 975 CA LEU A 76 0.562 10.602 -12.851 1.00 10.00 C ATOM 976 C LEU A 76 0.307 12.046 -12.432 1.00 10.00 C ATOM 977 O LEU A 76 -0.813 12.545 -12.553 1.00 10.00 O ATOM 978 CB LEU A 76 -0.325 9.661 -12.031 1.00 10.00 C ATOM 979 CG LEU A 76 -0.443 8.231 -12.565 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.202 7.357 -11.578 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.133 8.220 -13.921 1.00 10.00 C ATOM 0 H LEU A 76 2.217 9.938 -11.745 1.00 10.00 H new ATOM 0 HA LEU A 76 0.314 10.494 -13.907 1.00 10.00 H new ATOM 0 HB2 LEU A 76 0.064 9.619 -11.014 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.325 10.092 -11.973 1.00 10.00 H new ATOM 0 HG LEU A 76 0.562 7.827 -12.687 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.277 6.344 -11.972 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.671 7.337 -10.626 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.202 7.763 -11.427 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.207 7.195 -14.283 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.133 8.644 -13.824 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.554 8.814 -14.629 1.00 10.00 H new ATOM 993 N GLU A 77 1.358 12.709 -11.948 1.00 10.00 N ATOM 994 CA GLU A 77 1.270 14.095 -11.492 1.00 10.00 C ATOM 995 C GLU A 77 0.237 14.223 -10.372 1.00 10.00 C ATOM 996 O GLU A 77 -0.634 15.096 -10.402 1.00 10.00 O ATOM 997 CB GLU A 77 0.925 15.035 -12.653 1.00 10.00 C ATOM 998 CG GLU A 77 1.982 15.065 -13.749 1.00 10.00 C ATOM 999 CD GLU A 77 3.335 15.531 -13.248 1.00 10.00 C ATOM 1000 OE1 GLU A 77 3.382 16.425 -12.375 1.00 10.00 O ATOM 1001 OE2 GLU A 77 4.361 15.010 -13.734 1.00 10.00 O ATOM 0 H GLU A 77 2.289 12.302 -11.862 1.00 10.00 H new ATOM 0 HA GLU A 77 2.245 14.387 -11.101 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.027 14.729 -13.087 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.788 16.044 -12.264 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.082 14.068 -14.178 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.649 15.725 -14.550 1.00 10.00 H new ATOM 1008 N MET A 78 0.346 13.343 -9.386 1.00 10.00 N ATOM 1009 CA MET A 78 -0.568 13.337 -8.252 1.00 10.00 C ATOM 1010 C MET A 78 -0.171 14.407 -7.248 1.00 10.00 C ATOM 1011 O MET A 78 0.990 14.817 -7.196 1.00 10.00 O ATOM 1012 CB MET A 78 -0.570 11.964 -7.578 1.00 10.00 C ATOM 1013 CG MET A 78 -0.929 10.828 -8.520 1.00 10.00 C ATOM 1014 SD MET A 78 -0.764 9.202 -7.759 1.00 10.00 S ATOM 1015 CE MET A 78 -2.150 9.217 -6.625 1.00 10.00 C ATOM 0 H MET A 78 1.064 12.619 -9.349 1.00 10.00 H new ATOM 0 HA MET A 78 -1.572 13.552 -8.617 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.416 11.775 -7.153 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.278 11.976 -6.749 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.955 10.959 -8.864 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.288 10.878 -9.401 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.783 9.150 -5.601 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.712 10.143 -6.749 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.800 8.368 -6.834 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.127 14.842 -6.447 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.877 15.870 -5.452 1.00 10.00 C ATOM 1027 C GLU A 79 -1.084 15.327 -4.048 1.00 10.00 C ATOM 1028 O GLU A 79 -1.491 14.179 -3.867 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.796 17.069 -5.682 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.049 18.347 -6.021 1.00 10.00 C ATOM 1031 CD GLU A 79 0.274 18.457 -5.291 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.265 18.683 -4.061 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.327 18.318 -5.945 1.00 10.00 O ATOM 0 H GLU A 79 -2.087 14.498 -6.466 1.00 10.00 H new ATOM 0 HA GLU A 79 0.160 16.190 -5.553 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.488 16.836 -6.491 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.396 17.234 -4.787 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.872 18.386 -7.096 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -1.672 19.206 -5.769 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.797 16.157 -3.058 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.956 15.768 -1.667 1.00 10.00 C ATOM 1042 C ASP A 80 -2.431 15.599 -1.345 1.00 10.00 C ATOM 1043 O ASP A 80 -3.271 16.336 -1.866 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.334 16.819 -0.750 1.00 10.00 C ATOM 1045 CG ASP A 80 0.284 16.225 0.501 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.217 16.846 1.054 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.154 15.143 0.943 1.00 10.00 O ATOM 0 H ASP A 80 -0.452 17.107 -3.193 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.446 14.819 -1.504 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.430 17.367 -1.301 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.099 17.541 -0.463 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.734 14.615 -0.502 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.105 14.313 -0.085 1.00 10.00 C ATOM 1054 C GLU A 81 -4.943 13.756 -1.237 1.00 10.00 C ATOM 1055 O GLU A 81 -6.174 13.729 -1.158 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.788 15.549 0.514 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.151 16.025 1.807 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.972 17.088 2.501 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.524 18.251 2.548 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.064 16.764 3.014 1.00 10.00 O ATOM 0 H GLU A 81 -2.034 14.001 -0.086 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.037 13.543 0.684 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.760 16.359 -0.215 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.838 15.321 0.698 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.021 15.176 2.478 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.157 16.419 1.595 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.280 13.308 -2.298 1.00 10.00 N ATOM 1068 CA ASP A 82 -4.982 12.743 -3.445 1.00 10.00 C ATOM 1069 C ASP A 82 -5.674 11.453 -3.033 1.00 10.00 C ATOM 1070 O ASP A 82 -5.055 10.568 -2.441 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.021 12.480 -4.607 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.415 13.238 -5.860 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.626 13.409 -6.097 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.516 13.669 -6.614 1.00 10.00 O ATOM 0 H ASP A 82 -3.264 13.325 -2.388 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.726 13.463 -3.784 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.011 12.767 -4.313 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -3.998 11.412 -4.823 1.00 10.00 H new ATOM 1079 N THR A 83 -6.957 11.355 -3.331 1.00 10.00 N ATOM 1080 CA THR A 83 -7.732 10.182 -2.961 1.00 10.00 C ATOM 1081 C THR A 83 -7.754 9.130 -4.067 1.00 10.00 C ATOM 1082 O THR A 83 -8.032 9.430 -5.228 1.00 10.00 O ATOM 1083 CB THR A 83 -9.174 10.580 -2.603 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.157 11.731 -1.747 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.902 9.441 -1.904 1.00 10.00 C ATOM 0 H THR A 83 -7.485 12.072 -3.828 1.00 10.00 H new ATOM 0 HA THR A 83 -7.244 9.743 -2.091 1.00 10.00 H new ATOM 0 HB THR A 83 -9.703 10.810 -3.528 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.076 11.984 -1.521 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.919 9.752 -1.663 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.934 8.572 -2.561 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.375 9.182 -0.986 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.455 7.899 -3.686 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.452 6.778 -4.608 1.00 10.00 C ATOM 1095 C ILE A 84 -8.718 5.958 -4.402 1.00 10.00 C ATOM 1096 O ILE A 84 -9.108 5.690 -3.262 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.202 5.892 -4.401 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -4.934 6.709 -4.655 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.244 4.671 -5.314 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.757 6.283 -3.806 1.00 10.00 C ATOM 0 H ILE A 84 -7.208 7.650 -2.728 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.424 7.161 -5.628 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.194 5.540 -3.369 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.662 6.624 -5.707 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.146 7.761 -4.465 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.354 4.063 -5.150 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.133 4.081 -5.091 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.275 4.995 -6.354 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.894 6.907 -4.041 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.009 6.395 -2.752 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.518 5.240 -4.013 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.367 5.584 -5.496 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.602 4.814 -5.427 1.00 10.00 C ATOM 1114 C ASP A 85 -10.330 3.318 -5.424 1.00 10.00 C ATOM 1115 O ASP A 85 -9.459 2.833 -6.149 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.513 5.162 -6.601 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.795 5.821 -6.149 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.320 5.441 -5.085 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -13.279 6.733 -6.851 1.00 10.00 O ATOM 0 H ASP A 85 -9.058 5.802 -6.444 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.096 5.075 -4.491 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -10.985 5.827 -7.284 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -11.749 4.255 -7.158 1.00 10.00 H new ATOM 1124 N VAL A 86 -11.084 2.592 -4.605 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.943 1.145 -4.496 1.00 10.00 C ATOM 1126 C VAL A 86 -12.277 0.457 -4.778 1.00 10.00 C ATOM 1127 O VAL A 86 -13.290 0.755 -4.139 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.453 0.724 -3.090 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -10.104 -0.758 -3.063 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.258 1.563 -2.660 1.00 10.00 C ATOM 0 H VAL A 86 -11.805 2.987 -4.002 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.201 0.839 -5.233 1.00 10.00 H new ATOM 0 HB VAL A 86 -11.264 0.898 -2.383 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.762 -1.033 -2.065 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.987 -1.344 -3.318 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.313 -0.959 -3.786 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.931 1.249 -1.669 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.443 1.427 -3.371 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.543 2.615 -2.632 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.276 -0.451 -5.740 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.476 -1.187 -6.112 1.00 10.00 C ATOM 1142 C PHE A 87 -13.192 -2.686 -6.127 1.00 10.00 C ATOM 1143 O PHE A 87 -12.040 -3.105 -6.012 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.974 -0.740 -7.489 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.484 0.672 -7.523 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.714 0.990 -6.977 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.730 1.679 -8.102 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -16.188 2.287 -7.008 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -14.197 2.979 -8.137 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.427 3.283 -7.587 1.00 10.00 C ATOM 0 H PHE A 87 -11.449 -0.699 -6.283 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.250 -0.978 -5.373 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.161 -0.840 -8.208 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.770 -1.411 -7.812 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.311 0.215 -6.521 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.767 1.446 -8.531 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -17.152 2.521 -6.580 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.601 3.756 -8.593 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.793 4.299 -7.610 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.238 -3.486 -6.272 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.094 -4.936 -6.305 1.00 10.00 C ATOM 1162 C GLN A 88 -14.288 -5.454 -7.723 1.00 10.00 C ATOM 1163 O GLN A 88 -14.955 -4.818 -8.542 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.111 -5.596 -5.370 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.964 -5.185 -3.914 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.661 -5.654 -3.300 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.144 -6.717 -3.644 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.119 -4.866 -2.386 1.00 10.00 N ATOM 0 H GLN A 88 -15.198 -3.156 -6.369 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.089 -5.188 -5.968 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -16.117 -5.346 -5.708 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.009 -6.679 -5.444 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -15.025 -4.099 -3.840 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.797 -5.591 -3.341 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.579 -3.993 -2.128 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -12.241 -5.132 -1.939 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.691 -6.600 -8.016 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.815 -7.208 -9.332 1.00 10.00 C ATOM 1179 C GLN A 89 -15.131 -7.978 -9.419 1.00 10.00 C ATOM 1180 O GLN A 89 -15.516 -8.675 -8.476 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.628 -8.137 -9.608 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.609 -8.727 -11.011 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.535 -7.672 -12.101 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.034 -6.566 -11.891 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.029 -8.013 -13.280 1.00 10.00 N ATOM 0 H GLN A 89 -13.116 -7.128 -7.360 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.813 -6.423 -10.088 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.703 -7.584 -9.446 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.643 -8.952 -8.884 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.755 -9.398 -11.105 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.505 -9.330 -11.157 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.436 -8.939 -13.414 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.003 -7.350 -14.055 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.818 -7.837 -10.543 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.098 -8.502 -10.759 1.00 10.00 C ATOM 1196 C GLN A 90 -16.921 -10.012 -10.885 1.00 10.00 C ATOM 1197 O GLN A 90 -16.341 -10.503 -11.854 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.788 -7.939 -12.006 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.399 -6.560 -11.799 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.356 -5.472 -11.598 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.274 -5.513 -12.189 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.667 -4.503 -10.752 1.00 10.00 N ATOM 0 H GLN A 90 -15.508 -7.263 -11.327 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.728 -8.309 -9.891 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.064 -7.887 -12.819 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.571 -8.630 -12.320 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.016 -6.309 -12.662 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.059 -6.588 -10.932 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.573 -4.506 -10.284 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.001 -3.753 -10.568 1.00 10.00 H new ATOM 1211 N THR A 91 -17.419 -10.740 -9.895 1.00 10.00 N ATOM 1212 CA THR A 91 -17.329 -12.190 -9.883 1.00 10.00 C ATOM 1213 C THR A 91 -18.494 -12.819 -10.646 1.00 10.00 C ATOM 1214 O THR A 91 -19.322 -13.531 -10.072 1.00 10.00 O ATOM 1215 CB THR A 91 -17.313 -12.722 -8.437 1.00 10.00 C ATOM 1216 OG1 THR A 91 -17.775 -11.702 -7.536 1.00 10.00 O ATOM 1217 CG2 THR A 91 -15.916 -13.162 -8.036 1.00 10.00 C ATOM 0 H THR A 91 -17.893 -10.344 -9.084 1.00 10.00 H new ATOM 0 HA THR A 91 -16.397 -12.466 -10.376 1.00 10.00 H new ATOM 0 HB THR A 91 -17.976 -13.585 -8.383 1.00 10.00 H new ATOM 0 HG1 THR A 91 -17.764 -12.047 -6.619 1.00 10.00 H new ATOM 0 HG21 THR A 91 -15.932 -13.533 -7.011 1.00 10.00 H new ATOM 0 HG22 THR A 91 -15.578 -13.954 -8.704 1.00 10.00 H new ATOM 0 HG23 THR A 91 -15.234 -12.315 -8.104 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.558 -12.544 -11.943 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.625 -13.080 -12.769 1.00 10.00 C ATOM 1227 C GLY A 92 -20.875 -12.221 -12.726 1.00 10.00 C ATOM 1228 O GLY A 92 -21.052 -11.418 -11.804 1.00 10.00 O ATOM 0 H GLY A 92 -17.888 -11.957 -12.440 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.278 -13.161 -13.799 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.868 -14.088 -12.435 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.578 7.020 14.887 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.973 6.215 13.737 1.00 10.00 C ATOM 1235 C ASP B 195 -12.849 5.255 13.375 1.00 10.00 C ATOM 1236 O ASP B 195 -12.196 4.698 14.264 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.306 7.092 12.538 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.346 6.435 11.657 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.544 6.739 11.828 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.973 5.591 10.810 1.00 10.00 O ATOM 0 HA ASP B 195 -14.867 5.653 14.005 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.674 8.059 12.881 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.402 7.282 11.960 1.00 10.00 H new ATOM 1245 N THR B 196 -12.591 5.075 12.079 1.00 10.00 N ATOM 1246 CA THR B 196 -11.531 4.185 11.671 1.00 10.00 C ATOM 1247 C THR B 196 -10.466 4.942 10.901 1.00 10.00 C ATOM 1248 O THR B 196 -10.739 5.590 9.890 1.00 10.00 O ATOM 1249 CB THR B 196 -12.065 3.017 10.820 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.464 3.209 10.544 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.859 1.711 11.568 1.00 10.00 C ATOM 0 H THR B 196 -13.095 5.528 11.317 1.00 10.00 H new ATOM 0 HA THR B 196 -11.090 3.768 12.576 1.00 10.00 H new ATOM 0 HB THR B 196 -11.522 2.982 9.875 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.796 2.463 10.001 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.237 0.884 10.967 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.796 1.565 11.759 1.00 10.00 H new ATOM 0 HG23 THR B 196 -12.397 1.746 12.516 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.250 4.847 11.405 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.111 5.503 10.797 1.00 10.00 C ATOM 1261 C ALA B 197 -7.021 4.488 10.515 1.00 10.00 C ATOM 1262 O ALA B 197 -6.638 3.731 11.405 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.600 6.615 11.703 1.00 10.00 C ATOM 0 H ALA B 197 -9.026 4.314 12.245 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.417 5.951 9.851 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.744 7.101 11.235 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.391 7.348 11.861 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.299 6.193 12.662 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.539 4.467 9.292 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.499 3.536 8.926 1.00 10.00 C ATOM 1271 C GLY B 198 -4.271 4.243 8.414 1.00 10.00 C ATOM 1272 O GLY B 198 -4.380 5.161 7.607 1.00 10.00 O ATOM 0 H GLY B 198 -6.849 5.081 8.539 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.234 2.928 9.791 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.873 2.856 8.161 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.103 3.860 8.898 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.878 4.482 8.439 1.00 10.00 C ATOM 1278 C CYS B 199 -0.983 3.448 7.767 1.00 10.00 C ATOM 1279 O CYS B 199 -0.632 2.433 8.359 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.132 5.129 9.616 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.097 6.360 10.524 1.00 10.00 S ATOM 0 H CYS B 199 -2.979 3.130 9.600 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.134 5.256 7.716 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.821 4.346 10.308 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.224 5.601 9.240 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.380 6.843 11.495 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.627 3.711 6.523 1.00 10.00 N ATOM 1288 CA ILE B 200 0.245 2.832 5.771 1.00 10.00 C ATOM 1289 C ILE B 200 1.453 3.605 5.256 1.00 10.00 C ATOM 1290 O ILE B 200 1.307 4.705 4.725 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.491 2.131 4.600 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -0.942 0.736 5.031 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.404 2.026 3.372 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.605 -0.063 3.927 1.00 10.00 C ATOM 0 H ILE B 200 -0.933 4.537 6.009 1.00 10.00 H new ATOM 0 HA ILE B 200 0.581 2.049 6.450 1.00 10.00 H new ATOM 0 HB ILE B 200 -1.362 2.732 4.338 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.078 0.183 5.398 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.637 0.831 5.865 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.139 1.530 2.567 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.698 3.025 3.050 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.294 1.448 3.619 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -1.897 -1.041 4.310 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.490 0.467 3.575 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.906 -0.191 3.101 1.00 10.00 H new ATOM 1306 N VAL B 201 2.641 3.066 5.471 1.00 10.00 N ATOM 1307 CA VAL B 201 3.845 3.709 4.978 1.00 10.00 C ATOM 1308 C VAL B 201 4.625 2.772 4.056 1.00 10.00 C ATOM 1309 O VAL B 201 4.908 1.631 4.419 1.00 10.00 O ATOM 1310 CB VAL B 201 4.767 4.159 6.135 1.00 10.00 C ATOM 1311 CG1 VAL B 201 4.786 3.127 7.249 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.177 4.410 5.622 1.00 10.00 C ATOM 0 H VAL B 201 2.796 2.195 5.978 1.00 10.00 H new ATOM 0 HA VAL B 201 3.526 4.590 4.420 1.00 10.00 H new ATOM 0 HB VAL B 201 4.371 5.089 6.541 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.442 3.468 8.050 1.00 10.00 H new ATOM 0 HG12 VAL B 201 3.777 2.993 7.639 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.153 2.178 6.859 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.814 4.726 6.448 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.575 3.493 5.187 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.154 5.191 4.862 1.00 10.00 H new ATOM 1322 N ILE B 202 4.930 3.236 2.855 1.00 10.00 N ATOM 1323 CA ILE B 202 5.730 2.450 1.936 1.00 10.00 C ATOM 1324 C ILE B 202 6.948 3.266 1.529 1.00 10.00 C ATOM 1325 O ILE B 202 6.831 4.410 1.090 1.00 10.00 O ATOM 1326 CB ILE B 202 4.939 1.957 0.686 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.667 3.096 -0.311 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.634 1.287 1.102 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.855 2.686 -1.520 1.00 10.00 C ATOM 0 H ILE B 202 4.638 4.146 2.498 1.00 10.00 H new ATOM 0 HA ILE B 202 6.038 1.542 2.455 1.00 10.00 H new ATOM 0 HB ILE B 202 5.564 1.222 0.179 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.144 3.900 0.208 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.620 3.502 -0.649 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.098 0.951 0.214 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.852 0.431 1.740 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.017 2.000 1.649 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.710 3.549 -2.170 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.384 1.905 -2.066 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.885 2.309 -1.196 1.00 10.00 H new HETATM 1341 N SEP B 203 8.110 2.684 1.711 1.00 10.00 N HETATM 1342 CA SEP B 203 9.350 3.335 1.368 1.00 10.00 C HETATM 1343 CB SEP B 203 10.215 3.514 2.616 1.00 10.00 C HETATM 1344 OG SEP B 203 9.597 4.374 3.568 1.00 10.00 O HETATM 1345 C SEP B 203 10.088 2.504 0.331 1.00 10.00 C HETATM 1346 O SEP B 203 10.231 1.287 0.488 1.00 10.00 O HETATM 1347 P SEP B 203 10.152 5.862 3.769 1.00 10.00 P HETATM 1348 O1P SEP B 203 11.326 6.172 2.935 1.00 10.00 O HETATM 1349 O2P SEP B 203 10.306 6.278 5.179 1.00 10.00 O HETATM 1350 O3P SEP B 203 8.996 6.815 3.214 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.402 2.542 3.072 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.184 3.924 2.331 1.00 10.00 H new HETATM 0 HA SEP B 203 9.136 4.320 0.952 1.00 10.00 H new ATOM 1355 N ASP B 204 10.546 3.135 -0.730 1.00 10.00 N ATOM 1356 CA ASP B 204 11.250 2.408 -1.772 1.00 10.00 C ATOM 1357 C ASP B 204 12.681 2.907 -1.919 1.00 10.00 C ATOM 1358 O ASP B 204 12.930 4.097 -2.137 1.00 10.00 O ATOM 1359 CB ASP B 204 10.506 2.554 -3.101 1.00 10.00 C ATOM 1360 CG ASP B 204 10.926 1.515 -4.118 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.997 1.678 -4.733 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.182 0.532 -4.311 1.00 10.00 O ATOM 0 H ASP B 204 10.447 4.137 -0.895 1.00 10.00 H new ATOM 0 HA ASP B 204 11.285 1.356 -1.490 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.434 2.472 -2.924 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.687 3.549 -3.507 1.00 10.00 H new HETATM 1367 N SEP B 205 13.614 1.979 -1.791 1.00 10.00 N HETATM 1368 CA SEP B 205 15.029 2.266 -1.924 1.00 10.00 C HETATM 1369 CB SEP B 205 15.730 2.019 -0.587 1.00 10.00 C HETATM 1370 OG SEP B 205 14.956 2.527 0.495 1.00 10.00 O HETATM 1371 C SEP B 205 15.621 1.383 -3.013 1.00 10.00 C HETATM 1372 O SEP B 205 15.382 0.171 -3.030 1.00 10.00 O HETATM 1373 P SEP B 205 15.029 1.833 1.935 1.00 10.00 P HETATM 1374 O1P SEP B 205 14.931 0.363 1.903 1.00 10.00 O HETATM 1375 O2P SEP B 205 16.121 2.341 2.783 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.698 2.295 2.691 1.00 10.00 O HETATM 0 HB3 SEP B 205 15.895 0.950 -0.451 1.00 10.00 H new HETATM 0 HB2 SEP B 205 16.711 2.495 -0.593 1.00 10.00 H new HETATM 0 HA SEP B 205 15.172 3.310 -2.202 1.00 10.00 H new ATOM 1381 N GLU B 206 16.364 1.976 -3.939 1.00 10.00 N ATOM 1382 CA GLU B 206 16.974 1.213 -5.019 1.00 10.00 C ATOM 1383 C GLU B 206 18.333 0.662 -4.596 1.00 10.00 C ATOM 1384 O GLU B 206 18.739 0.790 -3.439 1.00 10.00 O ATOM 1385 CB GLU B 206 17.117 2.088 -6.273 1.00 10.00 C ATOM 1386 CG GLU B 206 17.622 1.327 -7.489 1.00 10.00 C ATOM 1387 CD GLU B 206 16.770 0.118 -7.820 1.00 10.00 C ATOM 1388 OE1 GLU B 206 17.201 -1.014 -7.525 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.669 0.290 -8.378 1.00 10.00 O ATOM 0 H GLU B 206 16.558 2.977 -3.964 1.00 10.00 H new ATOM 0 HA GLU B 206 16.324 0.370 -5.252 1.00 10.00 H new ATOM 0 HB2 GLU B 206 16.150 2.533 -6.508 1.00 10.00 H new ATOM 0 HB3 GLU B 206 17.801 2.909 -6.058 1.00 10.00 H new ATOM 0 HG2 GLU B 206 17.643 1.997 -8.348 1.00 10.00 H new ATOM 0 HG3 GLU B 206 18.648 1.005 -7.310 1.00 10.00 H new TER 1396 GLU B 206