USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 100 HIS : no HD1:sc= -3.1! C(o=-5.7!,f=-5.2!) USER MOD Set 1.2: A 101 HIS : no HD1:sc= -2.56! C(o=-5.7!,f=-14!) USER MOD Set 2.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot 55:sc= 1.32 USER MOD Set 3.1: A 46 THR OG1 : rot -42:sc= -0.487! USER MOD Set 3.2: A 49 ASN : amide:sc= -1.71! C(o=-2.2!,f=-9.6!) USER MOD Single : A 1 THR N :NH3+ 153:sc= 0.015 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.64! C(o=-2.6!,f=-7.2!) USER MOD Single : A 5 THR OG1 : rot 1:sc= 0.999 USER MOD Single : A 12 ASN : amide:sc= -0.0545 X(o=-0.054,f=-0.46) USER MOD Single : A 25 CYS SG : rot 22:sc= -0.957 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -6.79! C(o=-6.8!,f=-8!) USER MOD Single : A 35 HIS : no HD1:sc= -0.503 K(o=-0.5,f=-1.6) USER MOD Single : A 36 THR OG1 : rot 44:sc= 0.0152 USER MOD Single : A 47 SER OG : rot -140:sc= 0.29 USER MOD Single : A 57 ASN : amide:sc= -0.743 K(o=-0.74,f=-0.026) USER MOD Single : A 61 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-8.4!) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.112) USER MOD Single : A 67 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.7!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 SER OG : rot 75:sc= 0.855 USER MOD Single : A 74 CYS SG : rot -16:sc= 0.455 USER MOD Single : A 83 MET CE :methyl 175:sc= -1.52 (180deg=-1.71) USER MOD Single : A 85 THR OG1 : rot -20:sc= -0.271! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 98 HIS : no HD1:sc=-0.00207 X(o=-0.0021,f=-0.24) USER MOD Single : A 99 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0046) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 54.466 0.258 -1.305 1.00 0.00 N ATOM 2 CA THR A 1 54.740 1.542 -2.014 1.00 0.00 C ATOM 3 C THR A 1 53.980 2.671 -1.322 1.00 0.00 C ATOM 4 O THR A 1 52.774 2.574 -1.102 1.00 0.00 O ATOM 5 CB THR A 1 54.282 1.422 -3.470 1.00 0.00 C ATOM 6 OG1 THR A 1 54.965 0.340 -4.091 1.00 0.00 O ATOM 7 CG2 THR A 1 54.594 2.721 -4.212 1.00 0.00 C ATOM 0 H1 THR A 1 54.569 -0.535 -1.970 1.00 0.00 H new ATOM 0 H2 THR A 1 55.141 0.143 -0.522 1.00 0.00 H new ATOM 0 H3 THR A 1 53.497 0.270 -0.928 1.00 0.00 H new ATOM 0 HA THR A 1 55.808 1.759 -1.989 1.00 0.00 H new ATOM 0 HB THR A 1 53.208 1.239 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 1 54.672 0.260 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 1 54.268 2.635 -5.249 1.00 0.00 H new ATOM 0 HG22 THR A 1 54.069 3.548 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 1 55.668 2.907 -4.184 1.00 0.00 H new ATOM 17 N ALA A 2 54.691 3.744 -0.979 1.00 0.00 N ATOM 18 CA ALA A 2 54.066 4.883 -0.311 1.00 0.00 C ATOM 19 C ALA A 2 54.894 6.148 -0.512 1.00 0.00 C ATOM 20 O ALA A 2 54.347 7.237 -0.692 1.00 0.00 O ATOM 21 CB ALA A 2 53.935 4.602 1.186 1.00 0.00 C ATOM 0 H ALA A 2 55.691 3.848 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 2 53.078 5.033 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.468 5.456 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.319 3.715 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.924 4.434 1.613 1.00 0.00 H new ATOM 27 N LYS A 3 56.211 5.998 -0.474 1.00 0.00 N ATOM 28 CA LYS A 3 57.105 7.137 -0.642 1.00 0.00 C ATOM 29 C LYS A 3 58.546 6.677 -0.823 1.00 0.00 C ATOM 30 O LYS A 3 59.013 5.777 -0.126 1.00 0.00 O ATOM 31 CB LYS A 3 57.025 8.060 0.584 1.00 0.00 C ATOM 32 CG LYS A 3 57.051 7.228 1.878 1.00 0.00 C ATOM 33 CD LYS A 3 57.453 8.115 3.069 1.00 0.00 C ATOM 34 CE LYS A 3 56.621 9.400 3.074 1.00 0.00 C ATOM 35 NZ LYS A 3 56.771 10.082 4.392 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.682 5.105 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 3 56.790 7.679 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 3 57.860 8.760 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.112 8.653 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 3 56.070 6.789 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 3 57.756 6.403 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 3 57.304 7.573 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 3 58.513 8.360 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.947 10.061 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 3 55.572 9.168 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.206 10.955 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 56.439 9.451 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 57.772 10.316 4.550 1.00 0.00 H new ATOM 49 N ASN A 4 59.263 7.329 -1.739 1.00 0.00 N ATOM 50 CA ASN A 4 60.667 7.022 -1.982 1.00 0.00 C ATOM 51 C ASN A 4 61.398 8.335 -2.200 1.00 0.00 C ATOM 52 O ASN A 4 61.165 9.022 -3.194 1.00 0.00 O ATOM 53 CB ASN A 4 60.825 6.107 -3.199 1.00 0.00 C ATOM 54 CG ASN A 4 60.458 6.840 -4.484 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.647 7.764 -4.468 1.00 0.00 O ATOM 56 ND2 ASN A 4 61.018 6.477 -5.605 1.00 0.00 N ATOM 0 H ASN A 4 58.890 8.075 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 4 61.087 6.493 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.853 5.751 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.190 5.229 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.784 6.960 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.690 5.710 -5.614 1.00 0.00 H new ATOM 63 N THR A 5 62.264 8.713 -1.259 1.00 0.00 N ATOM 64 CA THR A 5 62.974 9.985 -1.396 1.00 0.00 C ATOM 65 C THR A 5 64.232 10.030 -0.524 1.00 0.00 C ATOM 66 O THR A 5 64.158 10.121 0.701 1.00 0.00 O ATOM 67 CB THR A 5 62.015 11.129 -1.005 1.00 0.00 C ATOM 68 OG1 THR A 5 61.070 11.328 -2.049 1.00 0.00 O ATOM 69 CG2 THR A 5 62.789 12.433 -0.769 1.00 0.00 C ATOM 0 H THR A 5 62.486 8.177 -0.420 1.00 0.00 H new ATOM 0 HA THR A 5 63.296 10.096 -2.431 1.00 0.00 H new ATOM 0 HB THR A 5 61.504 10.854 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 5 61.241 10.688 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 5 62.092 13.225 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.509 12.288 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 5 63.316 12.713 -1.681 1.00 0.00 H new ATOM 77 N VAL A 6 65.380 9.943 -1.183 1.00 0.00 N ATOM 78 CA VAL A 6 66.663 9.948 -0.484 1.00 0.00 C ATOM 79 C VAL A 6 66.843 11.204 0.361 1.00 0.00 C ATOM 80 O VAL A 6 66.760 12.325 -0.140 1.00 0.00 O ATOM 81 CB VAL A 6 67.824 9.852 -1.482 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.843 11.090 -2.391 1.00 0.00 C ATOM 83 CG2 VAL A 6 69.145 9.764 -0.711 1.00 0.00 C ATOM 0 H VAL A 6 65.452 9.868 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 6 66.667 9.079 0.175 1.00 0.00 H new ATOM 0 HB VAL A 6 67.695 8.962 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.671 11.011 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.904 11.152 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.968 11.986 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.974 9.696 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.266 10.654 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 6 69.136 8.879 -0.074 1.00 0.00 H new ATOM 93 N VAL A 7 67.118 10.996 1.647 1.00 0.00 N ATOM 94 CA VAL A 7 67.351 12.101 2.571 1.00 0.00 C ATOM 95 C VAL A 7 68.837 12.448 2.562 1.00 0.00 C ATOM 96 O VAL A 7 69.227 13.595 2.774 1.00 0.00 O ATOM 97 CB VAL A 7 66.925 11.700 3.986 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.164 12.865 4.951 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.440 11.332 3.988 1.00 0.00 C ATOM 0 H VAL A 7 67.185 10.071 2.072 1.00 0.00 H new ATOM 0 HA VAL A 7 66.766 12.966 2.260 1.00 0.00 H new ATOM 0 HB VAL A 7 67.514 10.841 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.859 12.573 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.223 13.124 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.581 13.728 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.137 11.047 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.852 12.190 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.271 10.497 3.308 1.00 0.00 H new ATOM 109 N ARG A 8 69.652 11.429 2.295 1.00 0.00 N ATOM 110 CA ARG A 8 71.101 11.588 2.229 1.00 0.00 C ATOM 111 C ARG A 8 71.708 10.533 1.326 1.00 0.00 C ATOM 112 O ARG A 8 71.555 9.334 1.565 1.00 0.00 O ATOM 113 CB ARG A 8 71.746 11.466 3.623 1.00 0.00 C ATOM 114 CG ARG A 8 73.259 11.180 3.482 1.00 0.00 C ATOM 115 CD ARG A 8 73.973 11.469 4.804 1.00 0.00 C ATOM 116 NE ARG A 8 75.414 11.309 4.648 1.00 0.00 N ATOM 117 CZ ARG A 8 76.206 11.145 5.706 1.00 0.00 C ATOM 118 NH1 ARG A 8 76.015 11.857 6.782 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 77.175 10.276 5.668 1.00 0.00 N ATOM 0 H ARG A 8 69.329 10.478 2.120 1.00 0.00 H new ATOM 0 HA ARG A 8 71.297 12.583 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.592 12.387 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.267 10.665 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.415 10.140 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.681 11.797 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.747 12.483 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.607 10.794 5.578 1.00 0.00 H new ATOM 0 HE ARG A 8 75.822 11.323 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.258 12.540 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.622 11.730 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 8 77.328 9.720 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 8 77.781 10.152 6.479 1.00 0.00 H new ATOM 133 N GLY A 9 72.444 10.982 0.326 1.00 0.00 N ATOM 134 CA GLY A 9 73.124 10.068 -0.557 1.00 0.00 C ATOM 135 C GLY A 9 74.464 9.729 0.067 1.00 0.00 C ATOM 136 O GLY A 9 74.766 10.177 1.172 1.00 0.00 O ATOM 0 H GLY A 9 72.582 11.969 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.531 9.165 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.264 10.519 -1.539 1.00 0.00 H new ATOM 140 N LEU A 10 75.266 8.951 -0.626 1.00 0.00 N ATOM 141 CA LEU A 10 76.566 8.583 -0.101 1.00 0.00 C ATOM 142 C LEU A 10 77.480 9.797 -0.098 1.00 0.00 C ATOM 143 O LEU A 10 77.206 10.789 -0.772 1.00 0.00 O ATOM 144 CB LEU A 10 77.141 7.459 -0.949 1.00 0.00 C ATOM 145 CG LEU A 10 76.270 6.206 -0.749 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.576 5.187 -1.849 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.540 5.565 0.629 1.00 0.00 C ATOM 0 H LEU A 10 75.047 8.564 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 10 76.473 8.232 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.156 7.747 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.172 7.255 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 10 75.222 6.503 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.958 4.300 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.360 5.627 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.628 4.907 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.913 4.681 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.589 5.278 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.308 6.283 1.416 1.00 0.00 H new ATOM 159 N GLU A 11 78.564 9.722 0.666 1.00 0.00 N ATOM 160 CA GLU A 11 79.508 10.829 0.752 1.00 0.00 C ATOM 161 C GLU A 11 80.922 10.290 0.646 1.00 0.00 C ATOM 162 O GLU A 11 81.156 9.100 0.854 1.00 0.00 O ATOM 163 CB GLU A 11 79.345 11.550 2.090 1.00 0.00 C ATOM 164 CG GLU A 11 77.958 12.187 2.167 1.00 0.00 C ATOM 165 CD GLU A 11 77.782 12.891 3.508 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.680 12.793 4.327 1.00 0.00 O ATOM 167 OE2 GLU A 11 76.755 13.522 3.694 1.00 0.00 O1- ATOM 0 H GLU A 11 78.810 8.910 1.232 1.00 0.00 H new ATOM 0 HA GLU A 11 79.314 11.529 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.479 10.846 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.114 12.315 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.831 12.900 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.190 11.423 2.044 1.00 0.00 H new ATOM 174 N ASN A 12 81.865 11.160 0.335 1.00 0.00 N ATOM 175 CA ASN A 12 83.244 10.730 0.224 1.00 0.00 C ATOM 176 C ASN A 12 83.679 10.083 1.543 1.00 0.00 C ATOM 177 O ASN A 12 83.319 10.552 2.623 1.00 0.00 O ATOM 178 CB ASN A 12 84.130 11.932 -0.113 1.00 0.00 C ATOM 179 CG ASN A 12 83.678 12.560 -1.430 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.396 11.848 -2.394 1.00 0.00 O ATOM 181 ND2 ASN A 12 83.587 13.860 -1.528 1.00 0.00 N ATOM 0 H ASN A 12 81.705 12.152 0.158 1.00 0.00 H new ATOM 0 HA ASN A 12 83.343 9.995 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 12 84.077 12.669 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 12 85.171 11.617 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.282 14.285 -2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 12 83.821 14.449 -0.729 1.00 0.00 H new ATOM 188 N VAL A 13 84.466 9.013 1.444 1.00 0.00 N ATOM 189 CA VAL A 13 84.969 8.305 2.629 1.00 0.00 C ATOM 190 C VAL A 13 86.452 7.992 2.451 1.00 0.00 C ATOM 191 O VAL A 13 86.872 7.518 1.396 1.00 0.00 O ATOM 192 CB VAL A 13 84.166 7.008 2.861 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.902 6.094 3.853 1.00 0.00 C ATOM 194 CG2 VAL A 13 82.784 7.354 3.438 1.00 0.00 C ATOM 0 H VAL A 13 84.772 8.614 0.556 1.00 0.00 H new ATOM 0 HA VAL A 13 84.846 8.943 3.504 1.00 0.00 H new ATOM 0 HB VAL A 13 84.056 6.492 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.323 5.183 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.883 5.838 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.023 6.612 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.218 6.437 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.906 7.879 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.246 7.992 2.737 1.00 0.00 H new ATOM 204 N GLU A 14 87.241 8.253 3.495 1.00 0.00 N ATOM 205 CA GLU A 14 88.683 7.993 3.453 1.00 0.00 C ATOM 206 C GLU A 14 89.113 7.178 4.669 1.00 0.00 C ATOM 207 O GLU A 14 88.668 7.429 5.788 1.00 0.00 O ATOM 208 CB GLU A 14 89.463 9.312 3.411 1.00 0.00 C ATOM 209 CG GLU A 14 88.951 10.270 4.492 1.00 0.00 C ATOM 210 CD GLU A 14 87.653 10.938 4.046 1.00 0.00 C ATOM 211 OE1 GLU A 14 87.554 11.280 2.880 1.00 0.00 O ATOM 212 OE2 GLU A 14 86.778 11.102 4.882 1.00 0.00 O1- ATOM 0 H GLU A 14 86.908 8.643 4.377 1.00 0.00 H new ATOM 0 HA GLU A 14 88.901 7.423 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 90.525 9.119 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.358 9.773 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 14 88.785 9.724 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 14 89.705 11.030 4.699 1.00 0.00 H new ATOM 219 N ALA A 15 89.984 6.196 4.442 1.00 0.00 N ATOM 220 CA ALA A 15 90.470 5.351 5.527 1.00 0.00 C ATOM 221 C ALA A 15 91.932 4.982 5.300 1.00 0.00 C ATOM 222 O ALA A 15 92.317 4.526 4.218 1.00 0.00 O ATOM 223 CB ALA A 15 89.619 4.077 5.607 1.00 0.00 C ATOM 0 H ALA A 15 90.364 5.968 3.523 1.00 0.00 H new ATOM 0 HA ALA A 15 90.391 5.901 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 15 89.983 3.446 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.579 4.345 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.689 3.533 4.665 1.00 0.00 H new ATOM 229 N LEU A 16 92.751 5.196 6.323 1.00 0.00 N ATOM 230 CA LEU A 16 94.168 4.890 6.216 1.00 0.00 C ATOM 231 C LEU A 16 94.369 3.387 6.063 1.00 0.00 C ATOM 232 O LEU A 16 93.485 2.592 6.380 1.00 0.00 O ATOM 233 CB LEU A 16 94.920 5.431 7.446 1.00 0.00 C ATOM 234 CG LEU A 16 94.703 4.515 8.683 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.888 3.546 8.846 1.00 0.00 C ATOM 236 CD2 LEU A 16 94.582 5.377 9.952 1.00 0.00 C ATOM 0 H LEU A 16 92.461 5.575 7.224 1.00 0.00 H new ATOM 0 HA LEU A 16 94.575 5.377 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.985 5.500 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 16 94.575 6.440 7.672 1.00 0.00 H new ATOM 0 HG LEU A 16 93.788 3.942 8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.722 2.911 9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.975 2.925 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.807 4.115 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 16 94.430 4.732 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 16 95.496 5.956 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.734 6.055 9.852 1.00 0.00 H new ATOM 248 N GLU A 17 95.531 3.012 5.547 1.00 0.00 N ATOM 249 CA GLU A 17 95.855 1.609 5.316 1.00 0.00 C ATOM 250 C GLU A 17 95.401 0.712 6.470 1.00 0.00 C ATOM 251 O GLU A 17 95.715 0.964 7.633 1.00 0.00 O ATOM 252 CB GLU A 17 97.369 1.481 5.124 1.00 0.00 C ATOM 253 CG GLU A 17 97.735 0.038 4.761 1.00 0.00 C ATOM 254 CD GLU A 17 97.721 -0.853 6.003 1.00 0.00 C ATOM 255 OE1 GLU A 17 97.848 -0.322 7.094 1.00 0.00 O ATOM 256 OE2 GLU A 17 97.578 -2.052 5.841 1.00 0.00 O1- ATOM 0 H GLU A 17 96.269 3.663 5.279 1.00 0.00 H new ATOM 0 HA GLU A 17 95.323 1.278 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.702 2.158 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.885 1.776 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.030 -0.347 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 98.723 0.013 4.301 1.00 0.00 H new ATOM 263 N GLY A 18 94.683 -0.359 6.125 1.00 0.00 N ATOM 264 CA GLY A 18 94.208 -1.318 7.119 1.00 0.00 C ATOM 265 C GLY A 18 93.079 -0.748 7.970 1.00 0.00 C ATOM 266 O GLY A 18 92.964 -1.070 9.154 1.00 0.00 O ATOM 0 H GLY A 18 94.419 -0.582 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.862 -2.221 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.036 -1.611 7.765 1.00 0.00 H new ATOM 270 N GLY A 19 92.238 0.082 7.363 1.00 0.00 N ATOM 271 CA GLY A 19 91.105 0.676 8.074 1.00 0.00 C ATOM 272 C GLY A 19 89.798 0.053 7.599 1.00 0.00 C ATOM 273 O GLY A 19 89.794 -1.003 6.969 1.00 0.00 O ATOM 0 H GLY A 19 92.316 0.360 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.220 0.523 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.085 1.753 7.905 1.00 0.00 H new ATOM 277 N GLU A 20 88.690 0.719 7.905 1.00 0.00 N ATOM 278 CA GLU A 20 87.366 0.242 7.508 1.00 0.00 C ATOM 279 C GLU A 20 86.599 1.376 6.853 1.00 0.00 C ATOM 280 O GLU A 20 87.101 2.499 6.774 1.00 0.00 O ATOM 281 CB GLU A 20 86.598 -0.274 8.736 1.00 0.00 C ATOM 282 CG GLU A 20 86.471 0.831 9.795 1.00 0.00 C ATOM 283 CD GLU A 20 87.846 1.169 10.367 1.00 0.00 C ATOM 284 OE1 GLU A 20 88.667 0.271 10.451 1.00 0.00 O ATOM 285 OE2 GLU A 20 88.057 2.322 10.704 1.00 0.00 O1- ATOM 0 H GLU A 20 88.681 1.594 8.429 1.00 0.00 H new ATOM 0 HA GLU A 20 87.476 -0.578 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.607 -0.614 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.115 -1.135 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 20 86.024 1.721 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.806 0.505 10.595 1.00 0.00 H new ATOM 292 N ALA A 21 85.387 1.094 6.375 1.00 0.00 N ATOM 293 CA ALA A 21 84.579 2.138 5.721 1.00 0.00 C ATOM 294 C ALA A 21 83.168 2.165 6.294 1.00 0.00 C ATOM 295 O ALA A 21 82.525 1.131 6.429 1.00 0.00 O ATOM 296 CB ALA A 21 84.505 1.877 4.215 1.00 0.00 C ATOM 0 H ALA A 21 84.946 0.176 6.423 1.00 0.00 H new ATOM 0 HA ALA A 21 85.056 3.101 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 21 83.906 2.654 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 85.510 1.886 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.046 0.905 4.036 1.00 0.00 H new ATOM 302 N LEU A 22 82.689 3.368 6.629 1.00 0.00 N ATOM 303 CA LEU A 22 81.345 3.531 7.189 1.00 0.00 C ATOM 304 C LEU A 22 80.477 4.360 6.250 1.00 0.00 C ATOM 305 O LEU A 22 80.614 5.583 6.200 1.00 0.00 O ATOM 306 CB LEU A 22 81.401 4.253 8.549 1.00 0.00 C ATOM 307 CG LEU A 22 82.511 3.682 9.456 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.368 2.155 9.591 1.00 0.00 C ATOM 309 CD2 LEU A 22 83.916 4.047 8.914 1.00 0.00 C ATOM 0 H LEU A 22 83.210 4.239 6.522 1.00 0.00 H new ATOM 0 HA LEU A 22 80.921 2.535 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.574 5.317 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.438 4.159 9.050 1.00 0.00 H new ATOM 0 HG LEU A 22 82.401 4.131 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.160 1.771 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 22 81.398 1.918 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.445 1.694 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.679 3.632 9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.038 3.635 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 22 84.021 5.131 8.875 1.00 0.00 H new ATOM 321 N PHE A 23 79.582 3.705 5.508 1.00 0.00 N ATOM 322 CA PHE A 23 78.704 4.424 4.583 1.00 0.00 C ATOM 323 C PHE A 23 77.278 4.467 5.118 1.00 0.00 C ATOM 324 O PHE A 23 76.541 3.479 5.044 1.00 0.00 O ATOM 325 CB PHE A 23 78.715 3.725 3.222 1.00 0.00 C ATOM 326 CG PHE A 23 80.010 4.026 2.498 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.228 5.300 1.962 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.980 3.028 2.347 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.415 5.578 1.276 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.165 3.305 1.657 1.00 0.00 C ATOM 331 CZ PHE A 23 82.383 4.578 1.120 1.00 0.00 C ATOM 0 H PHE A 23 79.447 2.694 5.528 1.00 0.00 H new ATOM 0 HA PHE A 23 79.069 5.446 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.605 2.649 3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.868 4.061 2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.479 6.069 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.814 2.045 2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.585 6.563 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 23 82.913 2.535 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.297 4.790 0.585 1.00 0.00 H new ATOM 341 N GLU A 24 76.909 5.619 5.677 1.00 0.00 N ATOM 342 CA GLU A 24 75.577 5.812 6.254 1.00 0.00 C ATOM 343 C GLU A 24 74.670 6.585 5.310 1.00 0.00 C ATOM 344 O GLU A 24 74.918 7.753 5.008 1.00 0.00 O ATOM 345 CB GLU A 24 75.694 6.594 7.564 1.00 0.00 C ATOM 346 CG GLU A 24 76.281 5.699 8.649 1.00 0.00 C ATOM 347 CD GLU A 24 76.566 6.525 9.899 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.225 7.697 9.899 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 77.124 5.976 10.834 1.00 0.00 O ATOM 0 H GLU A 24 77.516 6.436 5.743 1.00 0.00 H new ATOM 0 HA GLU A 24 75.145 4.827 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.327 7.470 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.713 6.957 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.586 4.893 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.200 5.233 8.292 1.00 0.00 H new ATOM 356 N CYS A 25 73.611 5.923 4.857 1.00 0.00 N ATOM 357 CA CYS A 25 72.646 6.541 3.954 1.00 0.00 C ATOM 358 C CYS A 25 71.248 6.448 4.556 1.00 0.00 C ATOM 359 O CYS A 25 70.806 5.372 4.964 1.00 0.00 O ATOM 360 CB CYS A 25 72.679 5.820 2.597 1.00 0.00 C ATOM 361 SG CYS A 25 73.055 4.069 2.863 1.00 0.00 S ATOM 0 H CYS A 25 73.398 4.956 5.101 1.00 0.00 H new ATOM 0 HA CYS A 25 72.903 7.590 3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.719 5.926 2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.431 6.272 1.950 1.00 0.00 H new ATOM 0 HG CYS A 25 72.754 3.741 4.084 1.00 0.00 H new ATOM 367 N GLN A 26 70.547 7.575 4.591 1.00 0.00 N ATOM 368 CA GLN A 26 69.187 7.619 5.123 1.00 0.00 C ATOM 369 C GLN A 26 68.229 7.836 3.967 1.00 0.00 C ATOM 370 O GLN A 26 68.390 8.773 3.190 1.00 0.00 O ATOM 371 CB GLN A 26 69.049 8.767 6.125 1.00 0.00 C ATOM 372 CG GLN A 26 69.880 8.469 7.373 1.00 0.00 C ATOM 373 CD GLN A 26 69.889 9.681 8.299 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.841 10.266 8.571 1.00 0.00 O ATOM 375 NE2 GLN A 26 71.020 10.090 8.805 1.00 0.00 N ATOM 0 H GLN A 26 70.897 8.473 4.257 1.00 0.00 H new ATOM 0 HA GLN A 26 68.960 6.683 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.381 9.700 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.002 8.900 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.469 7.605 7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.900 8.212 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 26 71.887 9.603 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 26 71.038 10.897 9.428 1.00 0.00 H new ATOM 384 N LEU A 27 67.248 6.952 3.838 1.00 0.00 N ATOM 385 CA LEU A 27 66.280 7.043 2.744 1.00 0.00 C ATOM 386 C LEU A 27 64.854 6.917 3.287 1.00 0.00 C ATOM 387 O LEU A 27 64.612 6.228 4.277 1.00 0.00 O ATOM 388 CB LEU A 27 66.629 5.955 1.681 1.00 0.00 C ATOM 389 CG LEU A 27 65.511 4.909 1.494 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.928 3.951 0.371 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.274 4.111 2.802 1.00 0.00 C ATOM 0 H LEU A 27 67.099 6.167 4.472 1.00 0.00 H new ATOM 0 HA LEU A 27 66.334 8.017 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 66.828 6.440 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.547 5.447 1.978 1.00 0.00 H new ATOM 0 HG LEU A 27 64.581 5.417 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.149 3.203 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 27 66.071 4.513 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.860 3.456 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 64.481 3.380 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 66.192 3.595 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.982 4.796 3.598 1.00 0.00 H new ATOM 403 N SER A 28 63.917 7.599 2.634 1.00 0.00 N ATOM 404 CA SER A 28 62.519 7.559 3.050 1.00 0.00 C ATOM 405 C SER A 28 61.774 6.521 2.218 1.00 0.00 C ATOM 406 O SER A 28 61.252 6.828 1.152 1.00 0.00 O ATOM 407 CB SER A 28 61.888 8.940 2.863 1.00 0.00 C ATOM 408 OG SER A 28 62.736 9.920 3.453 1.00 0.00 O ATOM 0 H SER A 28 64.100 8.183 1.818 1.00 0.00 H new ATOM 0 HA SER A 28 62.456 7.284 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.750 9.151 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 28 60.901 8.969 3.325 1.00 0.00 H new ATOM 0 HG SER A 28 62.340 10.809 3.336 1.00 0.00 H new ATOM 414 N GLN A 29 61.757 5.289 2.713 1.00 0.00 N ATOM 415 CA GLN A 29 61.116 4.177 2.018 1.00 0.00 C ATOM 416 C GLN A 29 61.160 2.927 2.917 1.00 0.00 C ATOM 417 O GLN A 29 62.189 2.252 2.976 1.00 0.00 O ATOM 418 CB GLN A 29 61.897 3.918 0.717 1.00 0.00 C ATOM 419 CG GLN A 29 61.215 2.856 -0.153 1.00 0.00 C ATOM 420 CD GLN A 29 59.757 3.211 -0.419 1.00 0.00 C ATOM 421 OE1 GLN A 29 59.437 3.814 -1.441 1.00 0.00 O ATOM 422 NE2 GLN A 29 58.845 2.862 0.443 1.00 0.00 N ATOM 0 H GLN A 29 62.185 5.033 3.603 1.00 0.00 H new ATOM 0 HA GLN A 29 60.076 4.409 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.985 4.847 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.909 3.595 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 29 61.747 2.762 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 29 61.271 1.887 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 29 59.110 2.362 1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.866 3.089 0.270 1.00 0.00 H new ATOM 431 N PRO A 30 60.098 2.614 3.641 1.00 0.00 N ATOM 432 CA PRO A 30 60.098 1.428 4.556 1.00 0.00 C ATOM 433 C PRO A 30 60.188 0.102 3.804 1.00 0.00 C ATOM 434 O PRO A 30 60.594 -0.915 4.368 1.00 0.00 O ATOM 435 CB PRO A 30 58.780 1.532 5.360 1.00 0.00 C ATOM 436 CG PRO A 30 58.061 2.773 4.885 1.00 0.00 C ATOM 437 CD PRO A 30 58.812 3.330 3.662 1.00 0.00 C ATOM 0 HA PRO A 30 60.976 1.438 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.163 0.647 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.985 1.592 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.030 2.537 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.025 3.518 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.251 3.159 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.962 4.406 3.748 1.00 0.00 H new ATOM 445 N GLU A 31 59.810 0.117 2.535 1.00 0.00 N ATOM 446 CA GLU A 31 59.858 -1.091 1.723 1.00 0.00 C ATOM 447 C GLU A 31 60.110 -0.725 0.269 1.00 0.00 C ATOM 448 O GLU A 31 59.488 0.195 -0.260 1.00 0.00 O ATOM 449 CB GLU A 31 58.530 -1.842 1.848 1.00 0.00 C ATOM 450 CG GLU A 31 58.609 -3.169 1.091 1.00 0.00 C ATOM 451 CD GLU A 31 57.291 -3.923 1.238 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.332 -3.317 1.683 1.00 0.00 O ATOM 453 OE2 GLU A 31 57.262 -5.096 0.904 1.00 0.00 O1- ATOM 0 H GLU A 31 59.469 0.945 2.047 1.00 0.00 H new ATOM 0 HA GLU A 31 60.669 -1.730 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.303 -2.025 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.719 -1.233 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.819 -2.986 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 31 59.430 -3.772 1.479 1.00 0.00 H new ATOM 460 N VAL A 32 61.027 -1.446 -0.373 1.00 0.00 N ATOM 461 CA VAL A 32 61.360 -1.186 -1.776 1.00 0.00 C ATOM 462 C VAL A 32 61.278 -2.475 -2.594 1.00 0.00 C ATOM 463 O VAL A 32 61.908 -3.480 -2.270 1.00 0.00 O ATOM 464 CB VAL A 32 62.759 -0.563 -1.864 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.722 -1.324 -0.951 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.271 -0.618 -3.307 1.00 0.00 C ATOM 0 H VAL A 32 61.551 -2.211 0.051 1.00 0.00 H new ATOM 0 HA VAL A 32 60.639 -0.484 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 32 62.702 0.478 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.714 -0.878 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.367 -1.270 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 32 63.772 -2.367 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.265 -0.173 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.321 -1.656 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.592 -0.064 -3.955 1.00 0.00 H new ATOM 476 N ALA A 33 60.464 -2.429 -3.639 1.00 0.00 N ATOM 477 CA ALA A 33 60.247 -3.583 -4.506 1.00 0.00 C ATOM 478 C ALA A 33 61.386 -3.769 -5.511 1.00 0.00 C ATOM 479 O ALA A 33 61.353 -4.698 -6.317 1.00 0.00 O ATOM 480 CB ALA A 33 58.925 -3.415 -5.257 1.00 0.00 C ATOM 0 H ALA A 33 59.938 -1.598 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 33 60.214 -4.471 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.762 -4.277 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.107 -3.340 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.963 -2.509 -5.861 1.00 0.00 H new ATOM 486 N ALA A 34 62.397 -2.903 -5.461 1.00 0.00 N ATOM 487 CA ALA A 34 63.528 -3.024 -6.380 1.00 0.00 C ATOM 488 C ALA A 34 64.742 -2.296 -5.820 1.00 0.00 C ATOM 489 O ALA A 34 64.724 -1.076 -5.652 1.00 0.00 O ATOM 490 CB ALA A 34 63.169 -2.437 -7.749 1.00 0.00 C ATOM 0 H ALA A 34 62.457 -2.123 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 34 63.764 -4.082 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.021 -2.535 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.316 -2.975 -8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 34 62.914 -1.383 -7.637 1.00 0.00 H new ATOM 496 N HIS A 35 65.798 -3.054 -5.530 1.00 0.00 N ATOM 497 CA HIS A 35 67.023 -2.472 -4.983 1.00 0.00 C ATOM 498 C HIS A 35 68.237 -3.334 -5.328 1.00 0.00 C ATOM 499 O HIS A 35 68.240 -4.543 -5.094 1.00 0.00 O ATOM 500 CB HIS A 35 66.902 -2.347 -3.463 1.00 0.00 C ATOM 501 CG HIS A 35 66.427 -3.653 -2.889 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.082 -3.978 -2.809 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.104 -4.723 -2.359 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.991 -5.197 -2.249 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.195 -5.698 -1.954 1.00 0.00 N ATOM 0 H HIS A 35 65.831 -4.065 -5.663 1.00 0.00 H new ATOM 0 HA HIS A 35 67.160 -1.485 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.866 -2.077 -3.032 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.204 -1.550 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.178 -4.798 -2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.059 -5.709 -2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 35 66.403 -6.600 -1.525 1.00 0.00 H new ATOM 513 N THR A 36 69.274 -2.694 -5.873 1.00 0.00 N ATOM 514 CA THR A 36 70.512 -3.390 -6.240 1.00 0.00 C ATOM 515 C THR A 36 71.721 -2.586 -5.777 1.00 0.00 C ATOM 516 O THR A 36 71.794 -1.385 -6.002 1.00 0.00 O ATOM 517 CB THR A 36 70.572 -3.581 -7.757 1.00 0.00 C ATOM 518 OG1 THR A 36 70.186 -2.377 -8.407 1.00 0.00 O ATOM 519 CG2 THR A 36 69.628 -4.713 -8.169 1.00 0.00 C ATOM 0 H THR A 36 69.282 -1.693 -6.071 1.00 0.00 H new ATOM 0 HA THR A 36 70.525 -4.365 -5.754 1.00 0.00 H new ATOM 0 HB THR A 36 71.591 -3.836 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 36 70.614 -1.615 -7.965 1.00 0.00 H new ATOM 0 HG21 THR A 36 69.672 -4.848 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 36 69.930 -5.637 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 36 68.609 -4.462 -7.876 1.00 0.00 H new ATOM 527 N TRP A 37 72.668 -3.262 -5.123 1.00 0.00 N ATOM 528 CA TRP A 37 73.880 -2.605 -4.619 1.00 0.00 C ATOM 529 C TRP A 37 75.124 -3.275 -5.207 1.00 0.00 C ATOM 530 O TRP A 37 75.414 -4.436 -4.919 1.00 0.00 O ATOM 531 CB TRP A 37 73.898 -2.695 -3.086 1.00 0.00 C ATOM 532 CG TRP A 37 74.853 -1.696 -2.485 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.115 -1.429 -2.920 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.640 -0.831 -1.326 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.676 -0.467 -2.104 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.812 -0.065 -1.110 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.556 -0.637 -0.450 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.907 0.854 -0.065 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.647 0.289 0.602 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.820 1.034 0.793 1.00 0.00 C ATOM 0 H TRP A 37 72.621 -4.262 -4.929 1.00 0.00 H new ATOM 0 HA TRP A 37 73.881 -1.557 -4.919 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.895 -2.519 -2.698 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.185 -3.702 -2.783 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.599 -1.894 -3.766 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.619 -0.098 -2.223 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.647 -1.204 -0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.814 1.422 0.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.808 0.428 1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.882 1.746 1.603 1.00 0.00 H new ATOM 551 N LEU A 38 75.857 -2.517 -6.023 1.00 0.00 N ATOM 552 CA LEU A 38 77.086 -3.028 -6.650 1.00 0.00 C ATOM 553 C LEU A 38 78.212 -2.000 -6.615 1.00 0.00 C ATOM 554 O LEU A 38 78.127 -0.947 -7.249 1.00 0.00 O ATOM 555 CB LEU A 38 76.824 -3.407 -8.111 1.00 0.00 C ATOM 556 CG LEU A 38 75.827 -4.574 -8.192 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.451 -4.810 -9.663 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.464 -5.859 -7.616 1.00 0.00 C ATOM 0 H LEU A 38 75.627 -1.554 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 38 77.390 -3.905 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.430 -2.546 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.760 -3.686 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 38 74.937 -4.328 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.744 -5.637 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 38 74.995 -3.908 -10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.348 -5.053 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.749 -6.679 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.356 -6.111 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.737 -5.694 -6.574 1.00 0.00 H new ATOM 570 N LEU A 39 79.284 -2.327 -5.892 1.00 0.00 N ATOM 571 CA LEU A 39 80.440 -1.443 -5.809 1.00 0.00 C ATOM 572 C LEU A 39 81.418 -1.979 -6.822 1.00 0.00 C ATOM 573 O LEU A 39 81.147 -1.935 -8.020 1.00 0.00 O ATOM 574 CB LEU A 39 81.041 -1.430 -4.381 1.00 0.00 C ATOM 575 CG LEU A 39 80.641 -2.685 -3.598 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.215 -3.949 -4.252 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.195 -2.575 -2.179 1.00 0.00 C ATOM 0 H LEU A 39 79.373 -3.193 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 39 80.175 -0.407 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.128 -1.367 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.700 -0.542 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 39 79.554 -2.758 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.916 -4.825 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.835 -4.037 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.303 -3.885 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.917 -3.462 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.281 -2.494 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.782 -1.690 -1.695 1.00 0.00 H new ATOM 589 N ASP A 40 82.507 -2.574 -6.367 1.00 0.00 N ATOM 590 CA ASP A 40 83.403 -3.189 -7.297 1.00 0.00 C ATOM 591 C ASP A 40 82.558 -4.189 -8.072 1.00 0.00 C ATOM 592 O ASP A 40 81.437 -4.494 -7.669 1.00 0.00 O ATOM 593 CB ASP A 40 84.559 -3.888 -6.577 1.00 0.00 C ATOM 594 CG ASP A 40 85.528 -4.473 -7.598 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.419 -4.114 -8.760 1.00 0.00 O ATOM 596 OD2 ASP A 40 86.361 -5.272 -7.206 1.00 0.00 O1- ATOM 0 H ASP A 40 82.777 -2.638 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 40 83.863 -2.452 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.080 -3.179 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.173 -4.679 -5.934 1.00 0.00 H new ATOM 601 N ASP A 41 83.041 -4.636 -9.189 1.00 0.00 N ATOM 602 CA ASP A 41 82.267 -5.538 -10.021 1.00 0.00 C ATOM 603 C ASP A 41 82.047 -6.893 -9.345 1.00 0.00 C ATOM 604 O ASP A 41 82.051 -7.929 -10.010 1.00 0.00 O ATOM 605 CB ASP A 41 82.981 -5.739 -11.359 1.00 0.00 C ATOM 606 CG ASP A 41 82.916 -4.455 -12.179 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.220 -3.544 -11.764 1.00 0.00 O1- ATOM 608 OD2 ASP A 41 83.568 -4.399 -13.209 1.00 0.00 O ATOM 0 H ASP A 41 83.963 -4.399 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 41 81.288 -5.086 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.020 -6.020 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.516 -6.557 -11.910 1.00 0.00 H new ATOM 613 N GLU A 42 81.808 -6.884 -8.023 1.00 0.00 N ATOM 614 CA GLU A 42 81.534 -8.130 -7.293 1.00 0.00 C ATOM 615 C GLU A 42 80.316 -7.930 -6.389 1.00 0.00 C ATOM 616 O GLU A 42 80.185 -6.873 -5.772 1.00 0.00 O ATOM 617 CB GLU A 42 82.740 -8.543 -6.432 1.00 0.00 C ATOM 618 CG GLU A 42 83.849 -9.091 -7.335 1.00 0.00 C ATOM 619 CD GLU A 42 85.164 -9.167 -6.565 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.369 -10.155 -5.880 1.00 0.00 O ATOM 621 OE2 GLU A 42 85.945 -8.238 -6.672 1.00 0.00 O1- ATOM 0 H GLU A 42 81.799 -6.042 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 42 81.340 -8.919 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.107 -7.686 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.440 -9.299 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.575 -10.081 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.967 -8.450 -8.209 1.00 0.00 H new ATOM 628 N PRO A 43 79.423 -8.895 -6.284 1.00 0.00 N ATOM 629 CA PRO A 43 78.231 -8.729 -5.415 1.00 0.00 C ATOM 630 C PRO A 43 78.671 -8.288 -4.028 1.00 0.00 C ATOM 631 O PRO A 43 79.630 -8.828 -3.476 1.00 0.00 O ATOM 632 CB PRO A 43 77.558 -10.124 -5.376 1.00 0.00 C ATOM 633 CG PRO A 43 78.383 -11.043 -6.246 1.00 0.00 C ATOM 634 CD PRO A 43 79.446 -10.197 -6.964 1.00 0.00 C ATOM 0 HA PRO A 43 77.540 -7.971 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.512 -10.500 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.533 -10.067 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.857 -11.816 -5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.748 -11.551 -6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.430 -10.660 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.216 -10.092 -8.024 1.00 0.00 H new ATOM 642 N VAL A 44 78.016 -7.268 -3.488 1.00 0.00 N ATOM 643 CA VAL A 44 78.414 -6.742 -2.193 1.00 0.00 C ATOM 644 C VAL A 44 77.760 -7.467 -1.019 1.00 0.00 C ATOM 645 O VAL A 44 76.798 -7.002 -0.412 1.00 0.00 O ATOM 646 CB VAL A 44 78.100 -5.249 -2.155 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.598 -5.001 -2.353 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.555 -4.670 -0.821 1.00 0.00 C ATOM 0 H VAL A 44 77.221 -6.797 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 44 79.485 -6.909 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 44 78.634 -4.757 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.399 -3.930 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.288 -5.400 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.040 -5.497 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.332 -3.604 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.031 -5.173 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.629 -4.819 -0.707 1.00 0.00 H new ATOM 658 N ARG A 45 78.359 -8.590 -0.664 1.00 0.00 N ATOM 659 CA ARG A 45 77.934 -9.379 0.485 1.00 0.00 C ATOM 660 C ARG A 45 79.174 -10.029 1.063 1.00 0.00 C ATOM 661 O ARG A 45 79.798 -9.484 1.952 1.00 0.00 O ATOM 662 CB ARG A 45 76.884 -10.424 0.101 1.00 0.00 C ATOM 663 CG ARG A 45 75.582 -9.705 -0.269 1.00 0.00 C ATOM 664 CD ARG A 45 74.439 -10.711 -0.332 1.00 0.00 C ATOM 665 NE ARG A 45 74.649 -11.661 -1.423 1.00 0.00 N ATOM 666 CZ ARG A 45 74.195 -11.419 -2.655 1.00 0.00 C ATOM 667 NH1 ARG A 45 74.805 -10.547 -3.415 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 73.140 -12.056 -3.099 1.00 0.00 N ATOM 0 H ARG A 45 79.156 -8.984 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 45 77.457 -8.737 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.237 -11.022 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.713 -11.110 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.360 -8.933 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.692 -9.205 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.366 -11.246 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 45 73.494 -10.187 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 45 75.154 -12.528 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 75.626 -10.053 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 45 74.459 -10.361 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 45 72.667 -12.736 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.792 -11.872 -4.040 1.00 0.00 H new ATOM 682 N THR A 46 79.551 -11.165 0.507 1.00 0.00 N ATOM 683 CA THR A 46 80.768 -11.857 0.936 1.00 0.00 C ATOM 684 C THR A 46 80.731 -12.227 2.430 1.00 0.00 C ATOM 685 O THR A 46 79.769 -12.845 2.886 1.00 0.00 O ATOM 686 CB THR A 46 81.983 -10.967 0.616 1.00 0.00 C ATOM 687 OG1 THR A 46 82.196 -10.048 1.676 1.00 0.00 O ATOM 688 CG2 THR A 46 81.729 -10.195 -0.685 1.00 0.00 C ATOM 0 H THR A 46 79.039 -11.633 -0.241 1.00 0.00 H new ATOM 0 HA THR A 46 80.845 -12.798 0.391 1.00 0.00 H new ATOM 0 HB THR A 46 82.866 -11.596 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.335 -9.687 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.591 -9.566 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.572 -10.900 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.843 -9.570 -0.570 1.00 0.00 H new ATOM 696 N SER A 47 81.793 -11.886 3.187 1.00 0.00 N ATOM 697 CA SER A 47 81.861 -12.239 4.625 1.00 0.00 C ATOM 698 C SER A 47 82.360 -11.079 5.499 1.00 0.00 C ATOM 699 O SER A 47 82.058 -9.922 5.249 1.00 0.00 O ATOM 700 CB SER A 47 82.800 -13.430 4.808 1.00 0.00 C ATOM 701 OG SER A 47 82.605 -13.989 6.101 1.00 0.00 O ATOM 0 H SER A 47 82.604 -11.375 2.837 1.00 0.00 H new ATOM 0 HA SER A 47 80.847 -12.482 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.607 -14.181 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.836 -13.112 4.689 1.00 0.00 H new ATOM 0 HG SER A 47 83.471 -14.244 6.481 1.00 0.00 H new ATOM 707 N GLU A 48 83.117 -11.399 6.551 1.00 0.00 N ATOM 708 CA GLU A 48 83.623 -10.360 7.450 1.00 0.00 C ATOM 709 C GLU A 48 84.389 -9.295 6.664 1.00 0.00 C ATOM 710 O GLU A 48 84.253 -8.100 6.925 1.00 0.00 O ATOM 711 CB GLU A 48 84.539 -10.978 8.516 1.00 0.00 C ATOM 712 CG GLU A 48 83.723 -11.882 9.449 1.00 0.00 C ATOM 713 CD GLU A 48 82.754 -11.050 10.290 1.00 0.00 C ATOM 714 OE1 GLU A 48 83.001 -9.866 10.446 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 81.783 -11.613 10.770 1.00 0.00 O ATOM 0 H GLU A 48 83.389 -12.350 6.798 1.00 0.00 H new ATOM 0 HA GLU A 48 82.771 -9.889 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.330 -11.555 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 48 85.024 -10.190 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.168 -12.614 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 48 84.394 -12.440 10.102 1.00 0.00 H new ATOM 722 N ASN A 49 85.210 -9.739 5.717 1.00 0.00 N ATOM 723 CA ASN A 49 86.012 -8.812 4.915 1.00 0.00 C ATOM 724 C ASN A 49 85.129 -7.887 4.064 1.00 0.00 C ATOM 725 O ASN A 49 85.643 -7.089 3.282 1.00 0.00 O ATOM 726 CB ASN A 49 86.975 -9.592 4.005 1.00 0.00 C ATOM 727 CG ASN A 49 86.210 -10.348 2.918 1.00 0.00 C ATOM 728 OD1 ASN A 49 85.035 -10.078 2.677 1.00 0.00 O ATOM 729 ND2 ASN A 49 86.811 -11.294 2.247 1.00 0.00 N ATOM 0 H ASN A 49 85.339 -10.724 5.485 1.00 0.00 H new ATOM 0 HA ASN A 49 86.584 -8.192 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.684 -8.904 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.556 -10.295 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.306 -11.807 1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.786 -11.520 2.445 1.00 0.00 H new ATOM 736 N ALA A 50 83.807 -7.997 4.229 1.00 0.00 N ATOM 737 CA ALA A 50 82.860 -7.158 3.479 1.00 0.00 C ATOM 738 C ALA A 50 81.437 -7.704 3.644 1.00 0.00 C ATOM 739 O ALA A 50 81.237 -8.898 3.493 1.00 0.00 O ATOM 740 CB ALA A 50 83.239 -7.142 1.990 1.00 0.00 C ATOM 0 H ALA A 50 83.367 -8.655 4.872 1.00 0.00 H new ATOM 0 HA ALA A 50 82.902 -6.141 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.533 -6.519 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.245 -6.738 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.208 -8.158 1.596 1.00 0.00 H new ATOM 746 N GLU A 51 80.455 -6.827 3.902 1.00 0.00 N ATOM 747 CA GLU A 51 79.043 -7.259 4.036 1.00 0.00 C ATOM 748 C GLU A 51 78.149 -6.069 4.383 1.00 0.00 C ATOM 749 O GLU A 51 78.579 -5.160 5.096 1.00 0.00 O ATOM 750 CB GLU A 51 78.888 -8.322 5.137 1.00 0.00 C ATOM 751 CG GLU A 51 77.419 -8.767 5.232 1.00 0.00 C ATOM 752 CD GLU A 51 77.258 -9.826 6.317 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.192 -10.015 7.078 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.199 -10.428 6.377 1.00 0.00 O1- ATOM 0 H GLU A 51 80.603 -5.825 4.022 1.00 0.00 H new ATOM 0 HA GLU A 51 78.743 -7.685 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.524 -9.180 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.217 -7.917 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.785 -7.909 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.090 -9.166 4.273 1.00 0.00 H new ATOM 761 N VAL A 52 76.894 -6.069 3.900 1.00 0.00 N ATOM 762 CA VAL A 52 75.962 -4.974 4.204 1.00 0.00 C ATOM 763 C VAL A 52 74.998 -5.399 5.320 1.00 0.00 C ATOM 764 O VAL A 52 74.810 -6.592 5.557 1.00 0.00 O ATOM 765 CB VAL A 52 75.143 -4.640 2.946 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.542 -3.237 3.062 1.00 0.00 C ATOM 767 CG2 VAL A 52 76.048 -4.709 1.718 1.00 0.00 C ATOM 0 H VAL A 52 76.508 -6.804 3.307 1.00 0.00 H new ATOM 0 HA VAL A 52 76.532 -4.103 4.526 1.00 0.00 H new ATOM 0 HB VAL A 52 74.333 -5.363 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.965 -3.013 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.890 -3.192 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.343 -2.506 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.469 -4.472 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.861 -3.990 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.461 -5.713 1.627 1.00 0.00 H new ATOM 777 N VAL A 53 74.361 -4.426 5.983 1.00 0.00 N ATOM 778 CA VAL A 53 73.392 -4.735 7.047 1.00 0.00 C ATOM 779 C VAL A 53 72.178 -3.814 6.956 1.00 0.00 C ATOM 780 O VAL A 53 72.272 -2.686 6.476 1.00 0.00 O ATOM 781 CB VAL A 53 74.030 -4.588 8.434 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.992 -5.745 8.693 1.00 0.00 C ATOM 783 CG2 VAL A 53 74.795 -3.265 8.512 1.00 0.00 C ATOM 0 H VAL A 53 74.495 -3.430 5.807 1.00 0.00 H new ATOM 0 HA VAL A 53 73.075 -5.769 6.908 1.00 0.00 H new ATOM 0 HB VAL A 53 73.243 -4.600 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.440 -5.632 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.447 -6.688 8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.776 -5.742 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.247 -3.164 9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.576 -3.251 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.108 -2.437 8.341 1.00 0.00 H new ATOM 793 N PHE A 54 71.035 -4.324 7.414 1.00 0.00 N ATOM 794 CA PHE A 54 69.777 -3.569 7.388 1.00 0.00 C ATOM 795 C PHE A 54 69.351 -3.170 8.798 1.00 0.00 C ATOM 796 O PHE A 54 69.570 -3.905 9.762 1.00 0.00 O ATOM 797 CB PHE A 54 68.669 -4.432 6.744 1.00 0.00 C ATOM 798 CG PHE A 54 68.560 -4.150 5.261 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.552 -4.603 4.385 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.460 -3.435 4.768 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.447 -4.339 3.014 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.355 -3.171 3.399 1.00 0.00 C ATOM 803 CZ PHE A 54 68.349 -3.623 2.520 1.00 0.00 C ATOM 0 H PHE A 54 70.952 -5.261 7.810 1.00 0.00 H new ATOM 0 HA PHE A 54 69.932 -2.663 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.887 -5.488 6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.714 -4.227 7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.398 -5.156 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.694 -3.088 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 54 70.213 -4.688 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.508 -2.619 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 54 68.268 -3.419 1.462 1.00 0.00 H new ATOM 813 N PHE A 55 68.723 -2.004 8.893 1.00 0.00 N ATOM 814 CA PHE A 55 68.229 -1.494 10.168 1.00 0.00 C ATOM 815 C PHE A 55 66.886 -0.811 9.969 1.00 0.00 C ATOM 816 O PHE A 55 66.634 -0.213 8.922 1.00 0.00 O ATOM 817 CB PHE A 55 69.216 -0.485 10.755 1.00 0.00 C ATOM 818 CG PHE A 55 70.468 -1.203 11.193 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.418 -2.085 12.279 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.675 -0.988 10.518 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.576 -2.755 12.689 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.834 -1.658 10.929 1.00 0.00 C ATOM 823 CZ PHE A 55 72.784 -2.540 12.015 1.00 0.00 C ATOM 0 H PHE A 55 68.543 -1.391 8.098 1.00 0.00 H new ATOM 0 HA PHE A 55 68.118 -2.334 10.854 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.460 0.275 10.013 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.764 0.031 11.602 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.486 -2.248 12.800 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.713 -0.306 9.681 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.538 -3.438 13.525 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.766 -1.494 10.408 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.678 -3.055 12.333 1.00 0.00 H new ATOM 833 N GLU A 56 66.034 -0.878 10.981 1.00 0.00 N ATOM 834 CA GLU A 56 64.733 -0.236 10.901 1.00 0.00 C ATOM 835 C GLU A 56 63.997 -0.600 9.606 1.00 0.00 C ATOM 836 O GLU A 56 63.269 0.217 9.042 1.00 0.00 O ATOM 837 CB GLU A 56 64.925 1.278 11.009 1.00 0.00 C ATOM 838 CG GLU A 56 65.213 1.658 12.466 1.00 0.00 C ATOM 839 CD GLU A 56 65.549 3.142 12.564 1.00 0.00 C ATOM 840 OE1 GLU A 56 65.563 3.795 11.535 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 65.797 3.604 13.667 1.00 0.00 O ATOM 0 H GLU A 56 66.218 -1.365 11.858 1.00 0.00 H new ATOM 0 HA GLU A 56 64.113 -0.591 11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.749 1.597 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.031 1.794 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.346 1.432 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.043 1.063 12.848 1.00 0.00 H new ATOM 848 N ASN A 57 64.170 -1.846 9.171 1.00 0.00 N ATOM 849 CA ASN A 57 63.499 -2.355 7.971 1.00 0.00 C ATOM 850 C ASN A 57 63.901 -1.616 6.687 1.00 0.00 C ATOM 851 O ASN A 57 63.067 -1.397 5.809 1.00 0.00 O ATOM 852 CB ASN A 57 61.982 -2.261 8.160 1.00 0.00 C ATOM 853 CG ASN A 57 61.585 -2.861 9.506 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.605 -2.431 10.115 1.00 0.00 O ATOM 855 ND2 ASN A 57 62.296 -3.830 10.010 1.00 0.00 N ATOM 0 H ASN A 57 64.772 -2.527 9.633 1.00 0.00 H new ATOM 0 HA ASN A 57 63.814 -3.391 7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.665 -1.219 8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.473 -2.789 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 57 62.041 -4.234 10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 57 63.107 -4.184 9.503 1.00 0.00 H new ATOM 862 N GLY A 58 65.181 -1.270 6.557 1.00 0.00 N ATOM 863 CA GLY A 58 65.662 -0.597 5.342 1.00 0.00 C ATOM 864 C GLY A 58 65.576 0.915 5.438 1.00 0.00 C ATOM 865 O GLY A 58 65.912 1.620 4.488 1.00 0.00 O ATOM 0 H GLY A 58 65.897 -1.439 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.696 -0.887 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.077 -0.937 4.487 1.00 0.00 H new ATOM 869 N LEU A 59 65.153 1.421 6.580 1.00 0.00 N ATOM 870 CA LEU A 59 65.073 2.859 6.755 1.00 0.00 C ATOM 871 C LEU A 59 66.483 3.436 6.671 1.00 0.00 C ATOM 872 O LEU A 59 66.687 4.587 6.287 1.00 0.00 O ATOM 873 CB LEU A 59 64.442 3.179 8.113 1.00 0.00 C ATOM 874 CG LEU A 59 63.810 4.586 8.093 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.392 4.518 7.514 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.742 5.150 9.517 1.00 0.00 C ATOM 0 H LEU A 59 64.864 0.870 7.388 1.00 0.00 H new ATOM 0 HA LEU A 59 64.452 3.301 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.682 2.435 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.199 3.124 8.895 1.00 0.00 H new ATOM 0 HG LEU A 59 64.427 5.235 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.955 5.516 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.433 4.130 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.779 3.859 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.295 6.144 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.135 4.493 10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.748 5.215 9.931 1.00 0.00 H new ATOM 888 N ARG A 60 67.448 2.589 7.025 1.00 0.00 N ATOM 889 CA ARG A 60 68.865 2.948 6.991 1.00 0.00 C ATOM 890 C ARG A 60 69.673 1.770 6.456 1.00 0.00 C ATOM 891 O ARG A 60 69.304 0.614 6.664 1.00 0.00 O ATOM 892 CB ARG A 60 69.369 3.297 8.396 1.00 0.00 C ATOM 893 CG ARG A 60 68.709 4.583 8.888 1.00 0.00 C ATOM 894 CD ARG A 60 69.189 4.874 10.311 1.00 0.00 C ATOM 895 NE ARG A 60 70.622 5.143 10.303 1.00 0.00 N ATOM 896 CZ ARG A 60 71.313 5.219 11.433 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.240 4.261 12.315 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 72.068 6.254 11.659 1.00 0.00 N ATOM 0 H ARG A 60 67.270 1.636 7.343 1.00 0.00 H new ATOM 0 HA ARG A 60 68.987 3.816 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.148 2.480 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.452 3.418 8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 60 68.962 5.413 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.624 4.481 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.651 5.730 10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 60 68.973 4.024 10.959 1.00 0.00 H new ATOM 0 HE ARG A 60 71.102 5.275 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.650 3.448 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.773 4.324 13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 60 72.127 7.003 10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 60 72.601 6.317 12.526 1.00 0.00 H new ATOM 912 N HIS A 61 70.791 2.058 5.794 1.00 0.00 N ATOM 913 CA HIS A 61 71.656 0.995 5.267 1.00 0.00 C ATOM 914 C HIS A 61 73.122 1.324 5.547 1.00 0.00 C ATOM 915 O HIS A 61 73.621 2.374 5.134 1.00 0.00 O ATOM 916 CB HIS A 61 71.454 0.823 3.761 1.00 0.00 C ATOM 917 CG HIS A 61 70.014 0.507 3.460 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.124 1.468 3.007 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.304 -0.665 3.517 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.939 0.860 2.808 1.00 0.00 C ATOM 921 NE2 HIS A 61 67.994 -0.441 3.106 1.00 0.00 N ATOM 0 H HIS A 61 71.120 3.006 5.609 1.00 0.00 H new ATOM 0 HA HIS A 61 71.388 0.064 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.750 1.734 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.094 0.022 3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.702 -1.618 3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.052 1.363 2.451 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.238 -1.123 3.045 1.00 0.00 H new ATOM 929 N LEU A 62 73.810 0.420 6.248 1.00 0.00 N ATOM 930 CA LEU A 62 75.232 0.614 6.582 1.00 0.00 C ATOM 931 C LEU A 62 76.096 -0.468 5.919 1.00 0.00 C ATOM 932 O LEU A 62 75.847 -1.661 6.082 1.00 0.00 O ATOM 933 CB LEU A 62 75.421 0.565 8.117 1.00 0.00 C ATOM 934 CG LEU A 62 75.200 1.955 8.745 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.801 2.480 8.400 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.343 1.852 10.270 1.00 0.00 C ATOM 0 H LEU A 62 73.412 -0.452 6.596 1.00 0.00 H new ATOM 0 HA LEU A 62 75.546 1.588 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.721 -0.149 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.425 0.211 8.352 1.00 0.00 H new ATOM 0 HG LEU A 62 75.944 2.645 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.660 3.462 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.699 2.559 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.049 1.792 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.187 2.834 10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.601 1.154 10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.342 1.495 10.518 1.00 0.00 H new ATOM 948 N LEU A 63 77.127 -0.034 5.186 1.00 0.00 N ATOM 949 CA LEU A 63 78.052 -0.958 4.510 1.00 0.00 C ATOM 950 C LEU A 63 79.420 -0.867 5.165 1.00 0.00 C ATOM 951 O LEU A 63 80.061 0.186 5.109 1.00 0.00 O ATOM 952 CB LEU A 63 78.179 -0.566 3.032 1.00 0.00 C ATOM 953 CG LEU A 63 78.958 -1.635 2.241 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.783 -1.372 0.737 1.00 0.00 C ATOM 955 CD2 LEU A 63 80.466 -1.610 2.595 1.00 0.00 C ATOM 0 H LEU A 63 77.344 0.952 5.044 1.00 0.00 H new ATOM 0 HA LEU A 63 77.669 -1.976 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.187 -0.440 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.687 0.395 2.949 1.00 0.00 H new ATOM 0 HG LEU A 63 78.564 -2.616 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.331 -2.124 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.725 -1.423 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 63 79.168 -0.382 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.987 -2.376 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 63 80.880 -0.631 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 80.593 -1.806 3.660 1.00 0.00 H new ATOM 967 N LEU A 64 79.865 -1.947 5.823 1.00 0.00 N ATOM 968 CA LEU A 64 81.152 -1.937 6.519 1.00 0.00 C ATOM 969 C LEU A 64 82.214 -2.749 5.776 1.00 0.00 C ATOM 970 O LEU A 64 81.991 -3.909 5.413 1.00 0.00 O ATOM 971 CB LEU A 64 80.951 -2.540 7.917 1.00 0.00 C ATOM 972 CG LEU A 64 82.242 -2.439 8.748 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.601 -0.965 9.004 1.00 0.00 C ATOM 974 CD2 LEU A 64 82.023 -3.158 10.086 1.00 0.00 C ATOM 0 H LEU A 64 79.356 -2.829 5.886 1.00 0.00 H new ATOM 0 HA LEU A 64 81.502 -0.906 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.142 -2.019 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.652 -3.584 7.828 1.00 0.00 H new ATOM 0 HG LEU A 64 83.063 -2.904 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.517 -0.911 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.751 -0.456 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.790 -0.482 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.931 -3.094 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.200 -2.686 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.783 -4.205 9.901 1.00 0.00 H new ATOM 986 N LEU A 65 83.387 -2.133 5.598 1.00 0.00 N ATOM 987 CA LEU A 65 84.526 -2.791 4.951 1.00 0.00 C ATOM 988 C LEU A 65 85.586 -3.072 6.011 1.00 0.00 C ATOM 989 O LEU A 65 85.463 -2.599 7.144 1.00 0.00 O ATOM 990 CB LEU A 65 85.117 -1.922 3.832 1.00 0.00 C ATOM 991 CG LEU A 65 84.090 -1.713 2.704 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.728 -0.866 1.597 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.648 -3.070 2.119 1.00 0.00 C ATOM 0 H LEU A 65 83.573 -1.175 5.895 1.00 0.00 H new ATOM 0 HA LEU A 65 84.187 -3.721 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.421 -0.957 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 86.013 -2.396 3.431 1.00 0.00 H new ATOM 0 HG LEU A 65 83.215 -1.205 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 84.007 -0.713 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.027 0.100 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.605 -1.381 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.922 -2.904 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.516 -3.592 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.194 -3.674 2.904 1.00 0.00 H new ATOM 1005 N LYS A 66 86.642 -3.799 5.637 1.00 0.00 N ATOM 1006 CA LYS A 66 87.730 -4.112 6.569 1.00 0.00 C ATOM 1007 C LYS A 66 89.055 -4.262 5.820 1.00 0.00 C ATOM 1008 O LYS A 66 89.071 -4.430 4.600 1.00 0.00 O ATOM 1009 CB LYS A 66 87.427 -5.405 7.342 1.00 0.00 C ATOM 1010 CG LYS A 66 86.328 -5.148 8.381 1.00 0.00 C ATOM 1011 CD LYS A 66 86.077 -6.426 9.184 1.00 0.00 C ATOM 1012 CE LYS A 66 84.973 -6.178 10.216 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.509 -5.331 11.320 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.767 -4.181 4.700 1.00 0.00 H new ATOM 0 HA LYS A 66 87.813 -3.287 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.110 -6.186 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.330 -5.763 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.625 -4.339 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.411 -4.831 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.788 -7.236 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.993 -6.738 9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.123 -5.685 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.611 -7.126 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.845 -5.342 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.429 -5.705 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.628 -4.355 10.982 1.00 0.00 H new ATOM 1027 N ASN A 67 90.160 -4.218 6.569 1.00 0.00 N ATOM 1028 CA ASN A 67 91.497 -4.370 5.982 1.00 0.00 C ATOM 1029 C ASN A 67 91.568 -3.704 4.607 1.00 0.00 C ATOM 1030 O ASN A 67 91.928 -4.346 3.620 1.00 0.00 O ATOM 1031 CB ASN A 67 91.840 -5.855 5.840 1.00 0.00 C ATOM 1032 CG ASN A 67 92.097 -6.478 7.211 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.335 -5.763 8.184 1.00 0.00 O ATOM 1034 ND2 ASN A 67 92.069 -7.778 7.346 1.00 0.00 N ATOM 0 H ASN A 67 90.157 -4.079 7.579 1.00 0.00 H new ATOM 0 HA ASN A 67 92.214 -3.887 6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.022 -6.377 5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.722 -5.972 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 67 92.244 -8.200 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 91.872 -8.370 6.539 1.00 0.00 H new ATOM 1041 N LEU A 68 91.181 -2.435 4.538 1.00 0.00 N ATOM 1042 CA LEU A 68 91.166 -1.729 3.261 1.00 0.00 C ATOM 1043 C LEU A 68 92.550 -1.625 2.638 1.00 0.00 C ATOM 1044 O LEU A 68 93.416 -0.903 3.131 1.00 0.00 O ATOM 1045 CB LEU A 68 90.610 -0.319 3.436 1.00 0.00 C ATOM 1046 CG LEU A 68 89.146 -0.371 3.876 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.702 1.040 4.267 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.254 -0.898 2.732 1.00 0.00 C ATOM 0 H LEU A 68 90.878 -1.880 5.338 1.00 0.00 H new ATOM 0 HA LEU A 68 90.529 -2.312 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.199 0.221 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.695 0.231 2.499 1.00 0.00 H new ATOM 0 HG LEU A 68 89.048 -1.047 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.659 1.019 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.322 1.403 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.808 1.705 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.216 -0.928 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.340 -0.237 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.575 -1.902 2.453 1.00 0.00 H new ATOM 1060 N ARG A 69 92.730 -2.333 1.530 1.00 0.00 N ATOM 1061 CA ARG A 69 93.992 -2.309 0.800 1.00 0.00 C ATOM 1062 C ARG A 69 93.897 -1.244 -0.291 1.00 0.00 C ATOM 1063 O ARG A 69 92.799 -0.933 -0.752 1.00 0.00 O ATOM 1064 CB ARG A 69 94.237 -3.686 0.154 1.00 0.00 C ATOM 1065 CG ARG A 69 94.865 -4.635 1.176 1.00 0.00 C ATOM 1066 CD ARG A 69 95.175 -5.984 0.520 1.00 0.00 C ATOM 1067 NE ARG A 69 94.131 -6.336 -0.442 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.736 -7.598 -0.610 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.842 -8.113 0.191 1.00 0.00 N ATOM 1070 NH2 ARG A 69 94.241 -8.320 -1.574 1.00 0.00 N1+ ATOM 0 H ARG A 69 92.016 -2.933 1.116 1.00 0.00 H new ATOM 0 HA ARG A 69 94.815 -2.081 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.296 -4.100 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.894 -3.581 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.780 -4.198 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.186 -4.778 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.141 -5.937 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.250 -6.758 1.284 1.00 0.00 H new ATOM 0 HE ARG A 69 93.695 -5.599 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 69 92.447 -7.550 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 69 92.539 -9.079 0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.939 -7.918 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 69 93.937 -9.285 -1.701 1.00 0.00 H new ATOM 1084 N PRO A 70 94.999 -0.690 -0.735 1.00 0.00 N ATOM 1085 CA PRO A 70 94.960 0.330 -1.812 1.00 0.00 C ATOM 1086 C PRO A 70 94.088 -0.205 -2.936 1.00 0.00 C ATOM 1087 O PRO A 70 93.360 0.532 -3.600 1.00 0.00 O ATOM 1088 CB PRO A 70 96.435 0.501 -2.249 1.00 0.00 C ATOM 1089 CG PRO A 70 97.253 -0.456 -1.409 1.00 0.00 C ATOM 1090 CD PRO A 70 96.359 -0.959 -0.267 1.00 0.00 C ATOM 0 HA PRO A 70 94.541 1.289 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.552 0.281 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.766 1.528 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.605 -1.291 -2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.136 0.044 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.513 -2.021 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.571 -0.436 0.665 1.00 0.00 H new ATOM 1098 N GLN A 71 94.174 -1.516 -3.111 1.00 0.00 N ATOM 1099 CA GLN A 71 93.397 -2.202 -4.121 1.00 0.00 C ATOM 1100 C GLN A 71 91.911 -1.910 -3.926 1.00 0.00 C ATOM 1101 O GLN A 71 91.234 -1.460 -4.849 1.00 0.00 O ATOM 1102 CB GLN A 71 93.634 -3.711 -3.998 1.00 0.00 C ATOM 1103 CG GLN A 71 92.814 -4.448 -5.066 1.00 0.00 C ATOM 1104 CD GLN A 71 93.088 -5.946 -4.996 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.193 -6.360 -4.646 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.137 -6.788 -5.300 1.00 0.00 N ATOM 0 H GLN A 71 94.779 -2.125 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 71 93.704 -1.854 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.694 -3.934 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.348 -4.055 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.751 -4.257 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.068 -4.070 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.222 -6.442 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.309 -7.792 -5.248 1.00 0.00 H new ATOM 1115 N ASP A 72 91.396 -2.218 -2.734 1.00 0.00 N ATOM 1116 CA ASP A 72 89.978 -2.038 -2.441 1.00 0.00 C ATOM 1117 C ASP A 72 89.451 -0.669 -2.858 1.00 0.00 C ATOM 1118 O ASP A 72 88.347 -0.584 -3.397 1.00 0.00 O ATOM 1119 CB ASP A 72 89.740 -2.233 -0.941 1.00 0.00 C ATOM 1120 CG ASP A 72 89.899 -3.705 -0.572 1.00 0.00 C ATOM 1121 OD1 ASP A 72 90.006 -4.516 -1.478 1.00 0.00 O ATOM 1122 OD2 ASP A 72 89.916 -4.001 0.610 1.00 0.00 O1- ATOM 0 H ASP A 72 91.942 -2.593 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 72 89.436 -2.783 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.446 -1.629 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.740 -1.889 -0.676 1.00 0.00 H new ATOM 1127 N SER A 73 90.198 0.410 -2.622 1.00 0.00 N ATOM 1128 CA SER A 73 89.703 1.727 -3.012 1.00 0.00 C ATOM 1129 C SER A 73 89.184 1.692 -4.440 1.00 0.00 C ATOM 1130 O SER A 73 89.883 1.263 -5.358 1.00 0.00 O ATOM 1131 CB SER A 73 90.819 2.764 -2.898 1.00 0.00 C ATOM 1132 OG SER A 73 90.439 3.938 -3.603 1.00 0.00 O ATOM 0 H SER A 73 91.116 0.401 -2.178 1.00 0.00 H new ATOM 0 HA SER A 73 88.888 2.003 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.008 2.999 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.747 2.364 -3.307 1.00 0.00 H new ATOM 0 HG SER A 73 89.764 4.426 -3.087 1.00 0.00 H new ATOM 1138 N CYS A 74 87.947 2.132 -4.616 1.00 0.00 N ATOM 1139 CA CYS A 74 87.335 2.128 -5.940 1.00 0.00 C ATOM 1140 C CYS A 74 86.011 2.887 -5.939 1.00 0.00 C ATOM 1141 O CYS A 74 85.800 3.792 -5.132 1.00 0.00 O ATOM 1142 CB CYS A 74 87.109 0.682 -6.393 1.00 0.00 C ATOM 1143 SG CYS A 74 86.982 0.622 -8.199 1.00 0.00 S ATOM 0 H CYS A 74 87.352 2.493 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 74 88.009 2.630 -6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.932 0.052 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.199 0.287 -5.941 1.00 0.00 H new ATOM 0 HG CYS A 74 86.770 1.819 -8.659 1.00 0.00 H new ATOM 1149 N ARG A 75 85.124 2.515 -6.861 1.00 0.00 N ATOM 1150 CA ARG A 75 83.819 3.163 -6.980 1.00 0.00 C ATOM 1151 C ARG A 75 82.751 2.406 -6.201 1.00 0.00 C ATOM 1152 O ARG A 75 82.707 1.176 -6.216 1.00 0.00 O ATOM 1153 CB ARG A 75 83.408 3.233 -8.456 1.00 0.00 C ATOM 1154 CG ARG A 75 82.061 3.955 -8.585 1.00 0.00 C ATOM 1155 CD ARG A 75 81.611 3.965 -10.044 1.00 0.00 C ATOM 1156 NE ARG A 75 82.529 4.757 -10.853 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.452 6.084 -10.874 1.00 0.00 C ATOM 1158 NH1 ARG A 75 82.837 6.771 -9.834 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 81.990 6.697 -11.932 1.00 0.00 N ATOM 0 H ARG A 75 85.286 1.768 -7.537 1.00 0.00 H new ATOM 0 HA ARG A 75 83.905 4.167 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.170 3.759 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.334 2.228 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.312 3.458 -7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.150 4.977 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.568 2.945 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 75 80.604 4.376 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 75 83.241 4.286 -11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 75 83.195 6.290 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 75 82.780 7.789 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 75 81.688 6.157 -12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 75 81.932 7.715 -11.947 1.00 0.00 H new ATOM 1173 N VAL A 76 81.863 3.164 -5.558 1.00 0.00 N ATOM 1174 CA VAL A 76 80.750 2.583 -4.805 1.00 0.00 C ATOM 1175 C VAL A 76 79.442 3.098 -5.404 1.00 0.00 C ATOM 1176 O VAL A 76 79.260 4.305 -5.556 1.00 0.00 O ATOM 1177 CB VAL A 76 80.849 2.986 -3.330 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.574 2.575 -2.592 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.051 2.287 -2.691 1.00 0.00 C ATOM 0 H VAL A 76 81.892 4.183 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 76 80.784 1.495 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 76 80.972 4.067 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.651 2.864 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.716 3.072 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.445 1.495 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.123 2.573 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.925 1.207 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.962 2.583 -3.211 1.00 0.00 H new ATOM 1189 N THR A 77 78.537 2.182 -5.765 1.00 0.00 N ATOM 1190 CA THR A 77 77.255 2.576 -6.370 1.00 0.00 C ATOM 1191 C THR A 77 76.073 1.879 -5.707 1.00 0.00 C ATOM 1192 O THR A 77 76.065 0.661 -5.536 1.00 0.00 O ATOM 1193 CB THR A 77 77.254 2.233 -7.864 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.322 2.915 -8.507 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.920 2.657 -8.490 1.00 0.00 C ATOM 0 H THR A 77 78.663 1.176 -5.652 1.00 0.00 H new ATOM 0 HA THR A 77 77.147 3.651 -6.225 1.00 0.00 H new ATOM 0 HB THR A 77 77.383 1.158 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.323 2.695 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.922 2.412 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.103 2.129 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.785 3.731 -8.366 1.00 0.00 H new ATOM 1203 N PHE A 78 75.061 2.669 -5.365 1.00 0.00 N ATOM 1204 CA PHE A 78 73.839 2.151 -4.751 1.00 0.00 C ATOM 1205 C PHE A 78 72.643 2.659 -5.550 1.00 0.00 C ATOM 1206 O PHE A 78 72.429 3.865 -5.649 1.00 0.00 O ATOM 1207 CB PHE A 78 73.753 2.625 -3.295 1.00 0.00 C ATOM 1208 CG PHE A 78 72.383 2.315 -2.727 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.000 0.986 -2.513 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.499 3.357 -2.411 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.735 0.697 -1.986 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.234 3.067 -1.883 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.853 1.737 -1.670 1.00 0.00 C ATOM 0 H PHE A 78 75.062 3.680 -5.503 1.00 0.00 H new ATOM 0 HA PHE A 78 73.844 1.061 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.522 2.134 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.944 3.697 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.680 0.183 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.793 4.383 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.440 -0.329 -1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.553 3.869 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.878 1.513 -1.262 1.00 0.00 H new ATOM 1223 N LEU A 79 71.877 1.735 -6.140 1.00 0.00 N ATOM 1224 CA LEU A 79 70.715 2.114 -6.959 1.00 0.00 C ATOM 1225 C LEU A 79 69.422 1.491 -6.444 1.00 0.00 C ATOM 1226 O LEU A 79 69.106 0.348 -6.763 1.00 0.00 O ATOM 1227 CB LEU A 79 70.957 1.659 -8.406 1.00 0.00 C ATOM 1228 CG LEU A 79 69.695 1.855 -9.268 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.214 3.299 -9.160 1.00 0.00 C ATOM 1230 CD2 LEU A 79 70.040 1.539 -10.729 1.00 0.00 C ATOM 0 H LEU A 79 72.036 0.730 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 79 70.603 3.197 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.785 2.224 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.249 0.609 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 79 68.905 1.190 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.322 3.432 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.979 3.527 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.997 3.971 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.154 1.674 -11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.828 2.210 -11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.383 0.507 -10.807 1.00 0.00 H new ATOM 1242 N ALA A 80 68.654 2.270 -5.685 1.00 0.00 N ATOM 1243 CA ALA A 80 67.365 1.807 -5.160 1.00 0.00 C ATOM 1244 C ALA A 80 66.268 2.777 -5.580 1.00 0.00 C ATOM 1245 O ALA A 80 66.363 3.976 -5.334 1.00 0.00 O ATOM 1246 CB ALA A 80 67.409 1.708 -3.635 1.00 0.00 C ATOM 0 H ALA A 80 68.899 3.224 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 80 67.156 0.817 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.444 1.363 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.185 1.002 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.630 2.688 -3.213 1.00 0.00 H new ATOM 1252 N GLY A 81 65.228 2.255 -6.215 1.00 0.00 N ATOM 1253 CA GLY A 81 64.124 3.097 -6.665 1.00 0.00 C ATOM 1254 C GLY A 81 64.643 4.360 -7.348 1.00 0.00 C ATOM 1255 O GLY A 81 65.842 4.493 -7.598 1.00 0.00 O ATOM 0 H GLY A 81 65.124 1.263 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.494 2.538 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.500 3.370 -5.814 1.00 0.00 H new ATOM 1259 N ASP A 82 63.723 5.262 -7.685 1.00 0.00 N ATOM 1260 CA ASP A 82 64.051 6.507 -8.391 1.00 0.00 C ATOM 1261 C ASP A 82 65.172 7.336 -7.738 1.00 0.00 C ATOM 1262 O ASP A 82 65.348 8.500 -8.102 1.00 0.00 O ATOM 1263 CB ASP A 82 62.785 7.374 -8.488 1.00 0.00 C ATOM 1264 CG ASP A 82 61.801 6.766 -9.485 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.192 5.858 -10.200 1.00 0.00 O ATOM 1266 OD2 ASP A 82 60.670 7.224 -9.524 1.00 0.00 O1- ATOM 0 H ASP A 82 62.730 5.154 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 82 64.422 6.210 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.316 7.456 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.051 8.384 -8.799 1.00 0.00 H new ATOM 1271 N MET A 83 65.944 6.761 -6.804 1.00 0.00 N ATOM 1272 CA MET A 83 67.045 7.510 -6.168 1.00 0.00 C ATOM 1273 C MET A 83 68.373 6.787 -6.354 1.00 0.00 C ATOM 1274 O MET A 83 68.480 5.583 -6.123 1.00 0.00 O ATOM 1275 CB MET A 83 66.786 7.725 -4.670 1.00 0.00 C ATOM 1276 CG MET A 83 66.519 6.392 -3.960 1.00 0.00 C ATOM 1277 SD MET A 83 66.340 6.672 -2.179 1.00 0.00 S ATOM 1278 CE MET A 83 64.586 7.103 -2.181 1.00 0.00 C ATOM 0 H MET A 83 65.833 5.802 -6.476 1.00 0.00 H new ATOM 0 HA MET A 83 67.095 8.483 -6.656 1.00 0.00 H new ATOM 0 HB2 MET A 83 67.646 8.217 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 83 65.932 8.389 -4.537 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.615 5.932 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 83 67.339 5.698 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.242 7.231 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.440 8.033 -2.731 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.016 6.306 -2.658 1.00 0.00 H new ATOM 1288 N VAL A 84 69.390 7.530 -6.799 1.00 0.00 N ATOM 1289 CA VAL A 84 70.719 6.956 -7.031 1.00 0.00 C ATOM 1290 C VAL A 84 71.782 7.768 -6.284 1.00 0.00 C ATOM 1291 O VAL A 84 71.900 8.980 -6.469 1.00 0.00 O ATOM 1292 CB VAL A 84 71.014 6.946 -8.541 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.736 8.326 -9.144 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.479 6.574 -8.778 1.00 0.00 C ATOM 0 H VAL A 84 69.320 8.526 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 84 70.742 5.933 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 84 70.367 6.211 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.949 8.306 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.690 8.587 -8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.372 9.069 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.684 6.568 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.124 7.304 -8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.674 5.584 -8.365 1.00 0.00 H new ATOM 1304 N THR A 85 72.545 7.082 -5.427 1.00 0.00 N ATOM 1305 CA THR A 85 73.598 7.723 -4.623 1.00 0.00 C ATOM 1306 C THR A 85 74.946 7.020 -4.849 1.00 0.00 C ATOM 1307 O THR A 85 75.039 5.801 -4.714 1.00 0.00 O ATOM 1308 CB THR A 85 73.225 7.628 -3.128 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.797 6.448 -2.589 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.700 7.552 -2.965 1.00 0.00 C ATOM 0 H THR A 85 72.455 6.078 -5.270 1.00 0.00 H new ATOM 0 HA THR A 85 73.686 8.767 -4.924 1.00 0.00 H new ATOM 0 HB THR A 85 73.599 8.511 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.011 5.827 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.450 7.485 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.244 8.446 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.322 6.671 -3.483 1.00 0.00 H new ATOM 1318 N SER A 86 75.993 7.789 -5.178 1.00 0.00 N ATOM 1319 CA SER A 86 77.327 7.204 -5.401 1.00 0.00 C ATOM 1320 C SER A 86 78.436 8.133 -4.910 1.00 0.00 C ATOM 1321 O SER A 86 78.371 9.348 -5.100 1.00 0.00 O ATOM 1322 CB SER A 86 77.543 6.924 -6.887 1.00 0.00 C ATOM 1323 OG SER A 86 78.840 6.368 -7.072 1.00 0.00 O ATOM 0 H SER A 86 75.947 8.801 -5.295 1.00 0.00 H new ATOM 0 HA SER A 86 77.370 6.274 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.783 6.235 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.443 7.845 -7.462 1.00 0.00 H new ATOM 0 HG SER A 86 78.941 5.577 -6.503 1.00 0.00 H new ATOM 1329 N ALA A 87 79.452 7.549 -4.264 1.00 0.00 N ATOM 1330 CA ALA A 87 80.579 8.326 -3.731 1.00 0.00 C ATOM 1331 C ALA A 87 81.901 7.575 -3.924 1.00 0.00 C ATOM 1332 O ALA A 87 81.922 6.344 -4.000 1.00 0.00 O ATOM 1333 CB ALA A 87 80.366 8.591 -2.239 1.00 0.00 C ATOM 0 H ALA A 87 79.518 6.545 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 87 80.628 9.270 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.205 9.168 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.442 9.152 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.299 7.642 -1.707 1.00 0.00 H new ATOM 1339 N PHE A 88 83.001 8.327 -4.021 1.00 0.00 N ATOM 1340 CA PHE A 88 84.321 7.729 -4.221 1.00 0.00 C ATOM 1341 C PHE A 88 84.907 7.236 -2.899 1.00 0.00 C ATOM 1342 O PHE A 88 84.433 7.599 -1.819 1.00 0.00 O ATOM 1343 CB PHE A 88 85.275 8.762 -4.825 1.00 0.00 C ATOM 1344 CG PHE A 88 84.584 9.491 -5.950 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.547 8.938 -7.237 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.978 10.726 -5.701 1.00 0.00 C ATOM 1347 CE1 PHE A 88 83.905 9.625 -8.273 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.337 11.413 -6.733 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.298 10.863 -8.022 1.00 0.00 C ATOM 0 H PHE A 88 83.003 9.345 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 88 84.205 6.882 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.592 9.470 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.174 8.269 -5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.013 7.983 -7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.006 11.149 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 88 83.877 9.201 -9.266 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.871 12.368 -6.539 1.00 0.00 H new ATOM 0 HZ PHE A 88 82.801 11.393 -8.821 1.00 0.00 H new ATOM 1359 N LEU A 89 85.969 6.435 -2.998 1.00 0.00 N ATOM 1360 CA LEU A 89 86.658 5.914 -1.816 1.00 0.00 C ATOM 1361 C LEU A 89 88.160 6.147 -2.007 1.00 0.00 C ATOM 1362 O LEU A 89 88.683 5.979 -3.109 1.00 0.00 O ATOM 1363 CB LEU A 89 86.345 4.410 -1.628 1.00 0.00 C ATOM 1364 CG LEU A 89 86.402 4.028 -0.132 1.00 0.00 C ATOM 1365 CD1 LEU A 89 85.976 2.566 0.048 1.00 0.00 C ATOM 1366 CD2 LEU A 89 87.824 4.217 0.424 1.00 0.00 C ATOM 0 H LEU A 89 86.371 6.133 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 89 86.317 6.428 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.357 4.185 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 89 87.061 3.810 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 89 85.721 4.680 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.018 2.302 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.958 2.436 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.649 1.919 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.842 3.942 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 88.518 3.583 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 89 88.121 5.260 0.316 1.00 0.00 H new ATOM 1378 N THR A 90 88.846 6.532 -0.938 1.00 0.00 N ATOM 1379 CA THR A 90 90.288 6.786 -0.994 1.00 0.00 C ATOM 1380 C THR A 90 90.983 6.119 0.185 1.00 0.00 C ATOM 1381 O THR A 90 90.646 6.395 1.333 1.00 0.00 O ATOM 1382 CB THR A 90 90.539 8.295 -0.942 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.954 8.909 -2.081 1.00 0.00 O ATOM 1384 CG2 THR A 90 92.042 8.572 -0.924 1.00 0.00 C ATOM 0 H THR A 90 88.430 6.677 -0.018 1.00 0.00 H new ATOM 0 HA THR A 90 90.687 6.376 -1.922 1.00 0.00 H new ATOM 0 HB THR A 90 90.091 8.704 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 90 90.112 9.876 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.213 9.648 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.488 8.103 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.498 8.163 -1.825 1.00 0.00 H new ATOM 1392 N VAL A 91 91.959 5.248 -0.087 1.00 0.00 N ATOM 1393 CA VAL A 91 92.683 4.567 0.999 1.00 0.00 C ATOM 1394 C VAL A 91 94.193 4.585 0.770 1.00 0.00 C ATOM 1395 O VAL A 91 94.678 4.159 -0.277 1.00 0.00 O ATOM 1396 CB VAL A 91 92.193 3.112 1.094 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.141 2.286 1.976 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.778 3.084 1.698 1.00 0.00 C ATOM 0 H VAL A 91 92.264 4.999 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 91 92.482 5.098 1.929 1.00 0.00 H new ATOM 0 HB VAL A 91 92.175 2.681 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.781 1.259 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.142 2.296 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 91 93.174 2.716 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.431 2.053 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.799 3.525 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.100 3.654 1.063 1.00 0.00 H new ATOM 1408 N ARG A 92 94.926 5.106 1.756 1.00 0.00 N ATOM 1409 CA ARG A 92 96.381 5.205 1.646 1.00 0.00 C ATOM 1410 C ARG A 92 97.040 3.840 1.843 1.00 0.00 C ATOM 1411 O ARG A 92 96.448 2.927 2.416 1.00 0.00 O ATOM 1412 CB ARG A 92 96.917 6.182 2.701 1.00 0.00 C ATOM 1413 CG ARG A 92 96.459 7.610 2.380 1.00 0.00 C ATOM 1414 CD ARG A 92 97.011 8.575 3.437 1.00 0.00 C ATOM 1415 NE ARG A 92 96.616 9.948 3.134 1.00 0.00 N ATOM 1416 CZ ARG A 92 96.877 10.944 3.978 1.00 0.00 C ATOM 1417 NH1 ARG A 92 97.578 10.716 5.056 1.00 0.00 N ATOM 1418 NH2 ARG A 92 96.429 12.148 3.730 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.540 5.462 2.631 1.00 0.00 H new ATOM 0 HA ARG A 92 96.621 5.568 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.562 5.892 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 92 98.006 6.139 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.808 7.901 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.370 7.658 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 92 96.641 8.293 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 92 98.098 8.503 3.471 1.00 0.00 H new ATOM 0 HE ARG A 92 96.131 10.148 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.924 9.776 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.779 11.478 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 92 95.879 12.324 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 92 96.630 12.910 4.377 1.00 0.00 H new ATOM 1432 N GLY A 93 98.279 3.716 1.356 1.00 0.00 N ATOM 1433 CA GLY A 93 99.040 2.467 1.468 1.00 0.00 C ATOM 1434 C GLY A 93 100.354 2.697 2.211 1.00 0.00 C ATOM 1435 O GLY A 93 100.461 3.610 3.031 1.00 0.00 O ATOM 0 H GLY A 93 98.777 4.467 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.446 1.720 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.244 2.070 0.474 1.00 0.00 H new ATOM 1439 N GLY A 94 101.352 1.868 1.917 1.00 0.00 N ATOM 1440 CA GLY A 94 102.657 1.995 2.563 1.00 0.00 C ATOM 1441 C GLY A 94 103.536 2.999 1.825 1.00 0.00 C ATOM 1442 O GLY A 94 104.106 2.683 0.781 1.00 0.00 O ATOM 0 H GLY A 94 101.284 1.107 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.525 2.313 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 94 103.151 1.023 2.588 1.00 0.00 H new ATOM 1446 N LEU A 95 103.644 4.214 2.369 1.00 0.00 N ATOM 1447 CA LEU A 95 104.461 5.260 1.742 1.00 0.00 C ATOM 1448 C LEU A 95 105.812 5.371 2.440 1.00 0.00 C ATOM 1449 O LEU A 95 106.818 5.690 1.808 1.00 0.00 O ATOM 1450 CB LEU A 95 103.736 6.607 1.839 1.00 0.00 C ATOM 1451 CG LEU A 95 102.447 6.584 1.001 1.00 0.00 C ATOM 1452 CD1 LEU A 95 101.584 7.797 1.365 1.00 0.00 C ATOM 1453 CD2 LEU A 95 102.778 6.634 -0.504 1.00 0.00 C ATOM 0 H LEU A 95 103.182 4.497 3.233 1.00 0.00 H new ATOM 0 HA LEU A 95 104.619 4.996 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 95 103.497 6.824 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 95 104.390 7.405 1.489 1.00 0.00 H new ATOM 0 HG LEU A 95 101.908 5.661 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 95 100.669 7.784 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 95 101.331 7.759 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.137 8.713 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 95 101.853 6.617 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 95 103.327 7.549 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 95 103.388 5.771 -0.771 1.00 0.00 H new ATOM 1465 N GLU A 96 105.841 5.080 3.744 1.00 0.00 N ATOM 1466 CA GLU A 96 107.093 5.130 4.502 1.00 0.00 C ATOM 1467 C GLU A 96 107.767 3.763 4.474 1.00 0.00 C ATOM 1468 O GLU A 96 107.223 2.783 4.983 1.00 0.00 O ATOM 1469 CB GLU A 96 106.826 5.545 5.959 1.00 0.00 C ATOM 1470 CG GLU A 96 106.433 7.027 6.021 1.00 0.00 C ATOM 1471 CD GLU A 96 107.611 7.905 5.605 1.00 0.00 C ATOM 1472 OE1 GLU A 96 108.654 7.802 6.230 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 107.450 8.675 4.673 1.00 0.00 O ATOM 0 H GLU A 96 105.023 4.811 4.290 1.00 0.00 H new ATOM 0 HA GLU A 96 107.749 5.869 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 96 106.029 4.932 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 96 107.716 5.371 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 96 105.583 7.213 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 96 106.118 7.285 7.032 1.00 0.00 H new ATOM 1480 N HIS A 97 108.948 3.704 3.869 1.00 0.00 N ATOM 1481 CA HIS A 97 109.684 2.448 3.768 1.00 0.00 C ATOM 1482 C HIS A 97 110.402 2.132 5.071 1.00 0.00 C ATOM 1483 O HIS A 97 110.748 3.030 5.838 1.00 0.00 O ATOM 1484 CB HIS A 97 110.715 2.530 2.640 1.00 0.00 C ATOM 1485 CG HIS A 97 110.010 2.672 1.320 1.00 0.00 C ATOM 1486 ND1 HIS A 97 109.320 1.623 0.738 1.00 0.00 N ATOM 1487 CD2 HIS A 97 109.884 3.732 0.456 1.00 0.00 C ATOM 1488 CE1 HIS A 97 108.811 2.069 -0.425 1.00 0.00 C ATOM 1489 NE2 HIS A 97 109.125 3.349 -0.645 1.00 0.00 N ATOM 0 H HIS A 97 109.414 4.505 3.443 1.00 0.00 H new ATOM 0 HA HIS A 97 108.965 1.656 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 97 111.379 3.379 2.802 1.00 0.00 H new ATOM 0 HB3 HIS A 97 111.337 1.635 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 97 110.309 4.713 0.608 1.00 0.00 H new ATOM 0 HE1 HIS A 97 108.221 1.466 -1.099 1.00 0.00 H new ATOM 0 HE2 HIS A 97 108.864 3.922 -1.448 1.00 0.00 H new ATOM 1497 N HIS A 98 110.632 0.842 5.309 1.00 0.00 N ATOM 1498 CA HIS A 98 111.323 0.391 6.519 1.00 0.00 C ATOM 1499 C HIS A 98 112.670 -0.222 6.151 1.00 0.00 C ATOM 1500 O HIS A 98 112.828 -0.804 5.079 1.00 0.00 O ATOM 1501 CB HIS A 98 110.466 -0.640 7.257 1.00 0.00 C ATOM 1502 CG HIS A 98 109.215 0.027 7.760 1.00 0.00 C ATOM 1503 ND1 HIS A 98 108.097 0.196 6.959 1.00 0.00 N ATOM 1504 CD2 HIS A 98 108.893 0.579 8.974 1.00 0.00 C ATOM 1505 CE1 HIS A 98 107.164 0.826 7.694 1.00 0.00 C ATOM 1506 NE2 HIS A 98 107.598 1.083 8.931 1.00 0.00 N ATOM 0 H HIS A 98 110.351 0.089 4.681 1.00 0.00 H new ATOM 0 HA HIS A 98 111.489 1.248 7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 98 110.211 -1.463 6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 98 111.025 -1.067 8.090 1.00 0.00 H new ATOM 0 HD2 HIS A 98 109.547 0.616 9.833 1.00 0.00 H new ATOM 0 HE1 HIS A 98 106.183 1.092 7.329 1.00 0.00 H new ATOM 0 HE2 HIS A 98 107.089 1.549 9.682 1.00 0.00 H new ATOM 1514 N HIS A 99 113.644 -0.079 7.044 1.00 0.00 N ATOM 1515 CA HIS A 99 114.982 -0.614 6.799 1.00 0.00 C ATOM 1516 C HIS A 99 115.644 -1.011 8.112 1.00 0.00 C ATOM 1517 O HIS A 99 115.177 -0.643 9.190 1.00 0.00 O ATOM 1518 CB HIS A 99 115.838 0.437 6.092 1.00 0.00 C ATOM 1519 CG HIS A 99 115.949 1.664 6.955 1.00 0.00 C ATOM 1520 ND1 HIS A 99 115.142 2.776 6.771 1.00 0.00 N ATOM 1521 CD2 HIS A 99 116.773 1.970 8.009 1.00 0.00 C ATOM 1522 CE1 HIS A 99 115.495 3.691 7.691 1.00 0.00 C ATOM 1523 NE2 HIS A 99 116.485 3.250 8.473 1.00 0.00 N ATOM 0 H HIS A 99 113.535 0.399 7.938 1.00 0.00 H new ATOM 0 HA HIS A 99 114.894 -1.498 6.167 1.00 0.00 H new ATOM 0 HB2 HIS A 99 116.830 0.034 5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 99 115.394 0.696 5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 99 117.530 1.317 8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 99 115.035 4.663 7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 99 116.933 3.745 9.244 1.00 0.00 H new ATOM 1531 N HIS A 100 116.740 -1.763 8.016 1.00 0.00 N ATOM 1532 CA HIS A 100 117.474 -2.207 9.206 1.00 0.00 C ATOM 1533 C HIS A 100 118.977 -2.028 9.003 1.00 0.00 C ATOM 1534 O HIS A 100 119.603 -2.762 8.238 1.00 0.00 O ATOM 1535 CB HIS A 100 117.163 -3.681 9.489 1.00 0.00 C ATOM 1536 CG HIS A 100 117.869 -4.119 10.743 1.00 0.00 C ATOM 1537 ND1 HIS A 100 119.229 -4.382 10.772 1.00 0.00 N ATOM 1538 CD2 HIS A 100 117.414 -4.359 12.017 1.00 0.00 C ATOM 1539 CE1 HIS A 100 119.543 -4.763 12.024 1.00 0.00 C ATOM 1540 NE2 HIS A 100 118.473 -4.766 12.824 1.00 0.00 N ATOM 0 H HIS A 100 117.140 -2.078 7.132 1.00 0.00 H new ATOM 0 HA HIS A 100 117.160 -1.601 10.056 1.00 0.00 H new ATOM 0 HB2 HIS A 100 116.088 -3.821 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 100 117.481 -4.297 8.648 1.00 0.00 H new ATOM 0 HD2 HIS A 100 116.390 -4.249 12.343 1.00 0.00 H new ATOM 0 HE1 HIS A 100 120.539 -5.033 12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 100 118.439 -5.013 13.813 1.00 0.00 H new ATOM 1548 N HIS A 101 119.545 -1.046 9.697 1.00 0.00 N ATOM 1549 CA HIS A 101 120.976 -0.765 9.603 1.00 0.00 C ATOM 1550 C HIS A 101 121.458 -0.842 8.159 1.00 0.00 C ATOM 1551 O HIS A 101 121.953 -1.876 7.710 1.00 0.00 O ATOM 1552 CB HIS A 101 121.757 -1.757 10.463 1.00 0.00 C ATOM 1553 CG HIS A 101 121.379 -1.557 11.903 1.00 0.00 C ATOM 1554 ND1 HIS A 101 120.224 -2.099 12.443 1.00 0.00 N ATOM 1555 CD2 HIS A 101 121.982 -0.865 12.924 1.00 0.00 C ATOM 1556 CE1 HIS A 101 120.167 -1.728 13.736 1.00 0.00 C ATOM 1557 NE2 HIS A 101 121.214 -0.974 14.081 1.00 0.00 N ATOM 0 H HIS A 101 119.036 -0.430 10.332 1.00 0.00 H new ATOM 0 HA HIS A 101 121.148 0.248 9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 101 121.536 -2.779 10.154 1.00 0.00 H new ATOM 0 HB3 HIS A 101 122.829 -1.608 10.331 1.00 0.00 H new ATOM 0 HD2 HIS A 101 122.910 -0.319 12.843 1.00 0.00 H new ATOM 0 HE1 HIS A 101 119.372 -2.006 14.412 1.00 0.00 H new ATOM 0 HE2 HIS A 101 121.409 -0.566 14.995 1.00 0.00 H new ATOM 1565 N HIS A 102 121.315 0.270 7.439 1.00 0.00 N ATOM 1566 CA HIS A 102 121.740 0.351 6.038 1.00 0.00 C ATOM 1567 C HIS A 102 122.841 1.394 5.888 1.00 0.00 C ATOM 1568 O HIS A 102 122.815 2.365 6.627 1.00 0.00 O ATOM 1569 CB HIS A 102 120.549 0.741 5.158 1.00 0.00 C ATOM 1570 CG HIS A 102 120.895 0.521 3.709 1.00 0.00 C ATOM 1571 ND1 HIS A 102 120.810 -0.726 3.110 1.00 0.00 N ATOM 1572 CD2 HIS A 102 121.330 1.379 2.728 1.00 0.00 C ATOM 1573 CE1 HIS A 102 121.183 -0.586 1.826 1.00 0.00 C ATOM 1574 NE2 HIS A 102 121.510 0.677 1.540 1.00 0.00 N ATOM 1575 OXT HIS A 102 123.696 1.209 5.036 1.00 0.00 O ATOM 0 H HIS A 102 120.907 1.131 7.802 1.00 0.00 H new ATOM 0 HA HIS A 102 122.120 -0.622 5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 102 119.676 0.147 5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 102 120.288 1.786 5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 102 121.505 2.437 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 102 121.214 -1.396 1.113 1.00 0.00 H new ATOM 0 HE2 HIS A 102 121.824 1.048 0.643 1.00 0.00 H new TER 1583 HIS A 102