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 46 THR OG1 : rot -43:sc= 0.553! USER MOD Set 1.2: A 49 ASN : amide:sc= -0.626 K(o=-0.074,f=-5!) USER MOD Single : A 1 THR N :NH3+ -158:sc= -0.18 (180deg=-0.93) USER MOD Single : A 1 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.452 K(o=0.45,f=-0.54) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4!) USER MOD Single : A 25 CYS SG : rot -60:sc= -2.85! USER MOD Single : A 26 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.64) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -4.15! C(o=-4.1!,f=-16!) USER MOD Single : A 35 HIS : no HD1:sc= -1.98! C(o=-2!,f=-3.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00857 USER MOD Single : A 57 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.78 K(o=-0.78,f=-0.17) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= -0.107 (180deg=-0.871) USER MOD Single : A 67 ASN : amide:sc= -7.65! C(o=-7.7!,f=-4.5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 73 SER OG : rot 78:sc= 0.438 USER MOD Single : A 74 CYS SG : rot 178:sc= 1.51 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -175:sc= -1.44 (180deg=-1.52) USER MOD Single : A 85 THR OG1 : rot -49:sc= -0.18 USER MOD Single : A 86 SER OG : rot 28:sc= 0.0541 USER MOD Single : A 90 THR OG1 : rot -17:sc= 0.724 USER MOD Single : A 97 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-3.4!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 101 HIS : no HD1:sc= -1.53! K(o=-1.5!,f=-0.16) USER MOD Single : A 102 HIS : no HD1:sc= 0.384 K(o=0.38,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 56.480 -0.270 -0.612 1.00 0.00 N ATOM 2 CA THR A 1 56.289 0.008 -2.065 1.00 0.00 C ATOM 3 C THR A 1 55.134 0.992 -2.241 1.00 0.00 C ATOM 4 O THR A 1 54.103 0.657 -2.825 1.00 0.00 O ATOM 5 CB THR A 1 55.986 -1.303 -2.800 1.00 0.00 C ATOM 6 OG1 THR A 1 54.708 -1.777 -2.406 1.00 0.00 O ATOM 7 CG2 THR A 1 57.048 -2.347 -2.447 1.00 0.00 C ATOM 0 H1 THR A 1 57.447 -0.615 -0.449 1.00 0.00 H new ATOM 0 H2 THR A 1 56.328 0.603 -0.068 1.00 0.00 H new ATOM 0 H3 THR A 1 55.798 -0.993 -0.304 1.00 0.00 H new ATOM 0 HA THR A 1 57.196 0.445 -2.482 1.00 0.00 H new ATOM 0 HB THR A 1 55.996 -1.128 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 1 54.025 -1.119 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 1 56.831 -3.278 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 1 58.030 -1.983 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 1 57.040 -2.525 -1.372 1.00 0.00 H new ATOM 17 N ALA A 2 55.322 2.206 -1.730 1.00 0.00 N ATOM 18 CA ALA A 2 54.297 3.242 -1.830 1.00 0.00 C ATOM 19 C ALA A 2 54.925 4.627 -1.695 1.00 0.00 C ATOM 20 O ALA A 2 54.289 5.641 -1.981 1.00 0.00 O ATOM 21 CB ALA A 2 53.248 3.051 -0.733 1.00 0.00 C ATOM 0 H ALA A 2 56.171 2.496 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 2 53.820 3.160 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.489 3.828 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.780 2.073 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 2 53.727 3.115 0.244 1.00 0.00 H new ATOM 27 N LYS A 3 56.181 4.657 -1.261 1.00 0.00 N ATOM 28 CA LYS A 3 56.897 5.915 -1.096 1.00 0.00 C ATOM 29 C LYS A 3 58.387 5.656 -0.914 1.00 0.00 C ATOM 30 O LYS A 3 58.796 4.986 0.033 1.00 0.00 O ATOM 31 CB LYS A 3 56.372 6.666 0.128 1.00 0.00 C ATOM 32 CG LYS A 3 56.802 8.134 0.050 1.00 0.00 C ATOM 33 CD LYS A 3 56.214 8.891 1.240 1.00 0.00 C ATOM 34 CE LYS A 3 56.612 10.374 1.187 1.00 0.00 C ATOM 35 NZ LYS A 3 55.647 11.119 0.331 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.722 3.827 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 3 56.738 6.517 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.285 6.596 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.758 6.211 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.889 8.208 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.458 8.577 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.128 8.800 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.567 8.447 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.622 10.795 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.621 10.476 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 55.917 12.123 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.659 10.723 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 54.690 11.032 0.730 1.00 0.00 H new ATOM 49 N ASN A 4 59.197 6.207 -1.805 1.00 0.00 N ATOM 50 CA ASN A 4 60.647 6.052 -1.730 1.00 0.00 C ATOM 51 C ASN A 4 61.280 7.410 -2.002 1.00 0.00 C ATOM 52 O ASN A 4 61.205 7.913 -3.121 1.00 0.00 O ATOM 53 CB ASN A 4 61.103 5.028 -2.779 1.00 0.00 C ATOM 54 CG ASN A 4 60.169 5.081 -3.988 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.630 4.056 -4.404 1.00 0.00 O ATOM 56 ND2 ASN A 4 59.933 6.227 -4.571 1.00 0.00 N ATOM 0 H ASN A 4 58.875 6.769 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 4 60.949 5.695 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.127 5.240 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 4 61.101 4.026 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.302 6.272 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 4 60.380 7.076 -4.226 1.00 0.00 H new ATOM 63 N THR A 5 61.893 8.024 -0.991 1.00 0.00 N ATOM 64 CA THR A 5 62.506 9.339 -1.184 1.00 0.00 C ATOM 65 C THR A 5 63.829 9.423 -0.440 1.00 0.00 C ATOM 66 O THR A 5 63.867 9.412 0.790 1.00 0.00 O ATOM 67 CB THR A 5 61.537 10.422 -0.686 1.00 0.00 C ATOM 68 OG1 THR A 5 60.328 10.333 -1.427 1.00 0.00 O ATOM 69 CG2 THR A 5 62.144 11.815 -0.878 1.00 0.00 C ATOM 0 H THR A 5 61.978 7.643 -0.049 1.00 0.00 H new ATOM 0 HA THR A 5 62.707 9.494 -2.244 1.00 0.00 H new ATOM 0 HB THR A 5 61.344 10.267 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.702 11.020 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.444 12.570 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.075 11.887 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.346 11.981 -1.936 1.00 0.00 H new ATOM 77 N VAL A 6 64.916 9.488 -1.200 1.00 0.00 N ATOM 78 CA VAL A 6 66.238 9.556 -0.605 1.00 0.00 C ATOM 79 C VAL A 6 66.496 10.944 -0.036 1.00 0.00 C ATOM 80 O VAL A 6 66.241 11.953 -0.690 1.00 0.00 O ATOM 81 CB VAL A 6 67.318 9.208 -1.641 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.483 10.360 -2.642 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.650 8.945 -0.919 1.00 0.00 C ATOM 0 H VAL A 6 64.905 9.495 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 6 66.282 8.828 0.205 1.00 0.00 H new ATOM 0 HB VAL A 6 67.017 8.314 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.251 10.101 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.538 10.533 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.777 11.265 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.418 8.698 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.948 9.837 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.530 8.113 -0.225 1.00 0.00 H new ATOM 93 N VAL A 7 67.040 10.984 1.172 1.00 0.00 N ATOM 94 CA VAL A 7 67.376 12.249 1.811 1.00 0.00 C ATOM 95 C VAL A 7 68.820 12.565 1.473 1.00 0.00 C ATOM 96 O VAL A 7 69.154 13.668 1.045 1.00 0.00 O ATOM 97 CB VAL A 7 67.191 12.137 3.322 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.515 13.482 3.986 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.738 11.746 3.617 1.00 0.00 C ATOM 0 H VAL A 7 67.258 10.157 1.728 1.00 0.00 H new ATOM 0 HA VAL A 7 66.724 13.046 1.454 1.00 0.00 H new ATOM 0 HB VAL A 7 67.864 11.378 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.381 13.397 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.547 13.756 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.847 14.250 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.595 11.663 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.068 12.509 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.516 10.788 3.147 1.00 0.00 H new ATOM 109 N ARG A 8 69.664 11.547 1.623 1.00 0.00 N ATOM 110 CA ARG A 8 71.071 11.659 1.290 1.00 0.00 C ATOM 111 C ARG A 8 71.538 10.337 0.721 1.00 0.00 C ATOM 112 O ARG A 8 70.970 9.285 1.006 1.00 0.00 O ATOM 113 CB ARG A 8 71.922 12.037 2.503 1.00 0.00 C ATOM 114 CG ARG A 8 73.410 11.997 2.105 1.00 0.00 C ATOM 115 CD ARG A 8 74.260 12.557 3.247 1.00 0.00 C ATOM 116 NE ARG A 8 74.029 13.991 3.414 1.00 0.00 N ATOM 117 CZ ARG A 8 74.689 14.887 2.682 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.900 14.627 2.262 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 74.128 16.028 2.386 1.00 0.00 N ATOM 0 H ARG A 8 69.389 10.630 1.976 1.00 0.00 H new ATOM 0 HA ARG A 8 71.190 12.457 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.653 13.033 2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.734 11.346 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.710 10.973 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.571 12.580 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 8 74.020 12.036 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.315 12.376 3.043 1.00 0.00 H new ATOM 0 HE ARG A 8 73.350 14.311 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 8 76.340 13.737 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.404 15.314 1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.185 16.233 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 8 74.633 16.714 1.826 1.00 0.00 H new ATOM 133 N GLY A 9 72.563 10.413 -0.099 1.00 0.00 N ATOM 134 CA GLY A 9 73.127 9.240 -0.746 1.00 0.00 C ATOM 135 C GLY A 9 74.466 8.846 -0.137 1.00 0.00 C ATOM 136 O GLY A 9 74.679 8.960 1.069 1.00 0.00 O ATOM 0 H GLY A 9 73.031 11.287 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.429 8.407 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.256 9.439 -1.810 1.00 0.00 H new ATOM 140 N LEU A 10 75.362 8.384 -1.001 1.00 0.00 N ATOM 141 CA LEU A 10 76.694 7.968 -0.583 1.00 0.00 C ATOM 142 C LEU A 10 77.567 9.200 -0.347 1.00 0.00 C ATOM 143 O LEU A 10 77.265 10.285 -0.844 1.00 0.00 O ATOM 144 CB LEU A 10 77.312 7.078 -1.671 1.00 0.00 C ATOM 145 CG LEU A 10 76.468 5.798 -1.863 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.871 5.102 -3.178 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.685 4.830 -0.687 1.00 0.00 C ATOM 0 H LEU A 10 75.188 8.288 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 10 76.628 7.402 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.369 7.628 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.332 6.811 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 10 75.415 6.078 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.274 4.200 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.697 5.778 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.927 4.836 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.083 3.934 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.738 4.555 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.387 5.315 0.243 1.00 0.00 H new ATOM 159 N GLU A 11 78.653 9.034 0.412 1.00 0.00 N ATOM 160 CA GLU A 11 79.563 10.148 0.705 1.00 0.00 C ATOM 161 C GLU A 11 81.015 9.684 0.623 1.00 0.00 C ATOM 162 O GLU A 11 81.317 8.514 0.841 1.00 0.00 O ATOM 163 CB GLU A 11 79.287 10.703 2.106 1.00 0.00 C ATOM 164 CG GLU A 11 77.913 11.376 2.144 1.00 0.00 C ATOM 165 CD GLU A 11 77.921 12.653 1.307 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.762 13.500 1.560 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.079 12.767 0.431 1.00 0.00 O ATOM 0 H GLU A 11 78.924 8.145 0.833 1.00 0.00 H new ATOM 0 HA GLU A 11 79.394 10.931 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.326 9.897 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.060 11.421 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.155 10.690 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.645 11.611 3.174 1.00 0.00 H new ATOM 174 N ASN A 12 81.905 10.619 0.312 1.00 0.00 N ATOM 175 CA ASN A 12 83.329 10.307 0.198 1.00 0.00 C ATOM 176 C ASN A 12 83.861 9.720 1.503 1.00 0.00 C ATOM 177 O ASN A 12 83.410 10.086 2.590 1.00 0.00 O ATOM 178 CB ASN A 12 84.119 11.571 -0.163 1.00 0.00 C ATOM 179 CG ASN A 12 84.071 12.572 0.988 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.361 12.362 1.973 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.789 13.662 0.921 1.00 0.00 N ATOM 0 H ASN A 12 81.670 11.596 0.135 1.00 0.00 H new ATOM 0 HA ASN A 12 83.454 9.567 -0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.154 11.310 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.704 12.022 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.762 14.338 1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.377 13.836 0.106 1.00 0.00 H new ATOM 188 N VAL A 13 84.833 8.811 1.389 1.00 0.00 N ATOM 189 CA VAL A 13 85.436 8.184 2.578 1.00 0.00 C ATOM 190 C VAL A 13 86.960 8.178 2.465 1.00 0.00 C ATOM 191 O VAL A 13 87.518 7.803 1.434 1.00 0.00 O ATOM 192 CB VAL A 13 84.917 6.752 2.746 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.536 6.116 3.997 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.398 6.784 2.903 1.00 0.00 C ATOM 0 H VAL A 13 85.218 8.493 0.500 1.00 0.00 H new ATOM 0 HA VAL A 13 85.153 8.767 3.455 1.00 0.00 H new ATOM 0 HB VAL A 13 85.191 6.166 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.163 5.098 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.621 6.095 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.265 6.702 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.023 5.768 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.135 7.374 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.950 7.234 2.017 1.00 0.00 H new ATOM 204 N GLU A 14 87.624 8.601 3.537 1.00 0.00 N ATOM 205 CA GLU A 14 89.089 8.653 3.573 1.00 0.00 C ATOM 206 C GLU A 14 89.612 7.907 4.798 1.00 0.00 C ATOM 207 O GLU A 14 89.320 8.282 5.933 1.00 0.00 O ATOM 208 CB GLU A 14 89.550 10.113 3.623 1.00 0.00 C ATOM 209 CG GLU A 14 91.081 10.175 3.598 1.00 0.00 C ATOM 210 CD GLU A 14 91.551 11.629 3.592 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.735 12.493 3.320 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.720 11.854 3.859 1.00 0.00 O ATOM 0 H GLU A 14 87.173 8.914 4.396 1.00 0.00 H new ATOM 0 HA GLU A 14 89.483 8.178 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.141 10.662 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.172 10.593 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.487 9.658 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.459 9.660 2.715 1.00 0.00 H new ATOM 219 N ALA A 15 90.386 6.851 4.564 1.00 0.00 N ATOM 220 CA ALA A 15 90.940 6.061 5.662 1.00 0.00 C ATOM 221 C ALA A 15 92.251 5.411 5.237 1.00 0.00 C ATOM 222 O ALA A 15 92.448 5.096 4.064 1.00 0.00 O ATOM 223 CB ALA A 15 89.942 4.978 6.082 1.00 0.00 C ATOM 0 H ALA A 15 90.643 6.524 3.633 1.00 0.00 H new ATOM 0 HA ALA A 15 91.130 6.724 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.362 4.394 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.014 5.446 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.739 4.322 5.235 1.00 0.00 H new ATOM 229 N LEU A 16 93.142 5.205 6.198 1.00 0.00 N ATOM 230 CA LEU A 16 94.431 4.579 5.910 1.00 0.00 C ATOM 231 C LEU A 16 94.279 3.062 5.821 1.00 0.00 C ATOM 232 O LEU A 16 93.301 2.498 6.314 1.00 0.00 O ATOM 233 CB LEU A 16 95.466 4.976 6.977 1.00 0.00 C ATOM 234 CG LEU A 16 95.307 4.151 8.265 1.00 0.00 C ATOM 235 CD1 LEU A 16 96.331 4.644 9.290 1.00 0.00 C ATOM 236 CD2 LEU A 16 93.901 4.330 8.843 1.00 0.00 C ATOM 0 H LEU A 16 93.001 5.459 7.176 1.00 0.00 H new ATOM 0 HA LEU A 16 94.789 4.935 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.471 4.836 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.360 6.036 7.209 1.00 0.00 H new ATOM 0 HG LEU A 16 95.465 3.097 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 16 96.231 4.068 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 16 97.337 4.517 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.156 5.699 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 93.804 3.740 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 16 93.733 5.382 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.163 3.996 8.114 1.00 0.00 H new ATOM 248 N GLU A 17 95.239 2.403 5.178 1.00 0.00 N ATOM 249 CA GLU A 17 95.177 0.948 5.028 1.00 0.00 C ATOM 250 C GLU A 17 95.075 0.239 6.380 1.00 0.00 C ATOM 251 O GLU A 17 95.716 0.629 7.355 1.00 0.00 O ATOM 252 CB GLU A 17 96.413 0.425 4.277 1.00 0.00 C ATOM 253 CG GLU A 17 97.691 0.789 5.041 1.00 0.00 C ATOM 254 CD GLU A 17 98.908 0.195 4.338 1.00 0.00 C ATOM 255 OE1 GLU A 17 98.836 -0.958 3.940 1.00 0.00 O ATOM 256 OE2 GLU A 17 99.894 0.901 4.205 1.00 0.00 O1- ATOM 0 H GLU A 17 96.058 2.843 4.758 1.00 0.00 H new ATOM 0 HA GLU A 17 94.277 0.728 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 96.346 -0.657 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 96.446 0.852 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.790 1.873 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.633 0.414 6.063 1.00 0.00 H new ATOM 263 N GLY A 18 94.271 -0.822 6.411 1.00 0.00 N ATOM 264 CA GLY A 18 94.087 -1.619 7.620 1.00 0.00 C ATOM 265 C GLY A 18 93.108 -0.966 8.583 1.00 0.00 C ATOM 266 O GLY A 18 92.994 -1.371 9.739 1.00 0.00 O ATOM 0 H GLY A 18 93.735 -1.150 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.724 -2.611 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.048 -1.755 8.116 1.00 0.00 H new ATOM 270 N GLY A 19 92.386 0.033 8.095 1.00 0.00 N ATOM 271 CA GLY A 19 91.396 0.721 8.915 1.00 0.00 C ATOM 272 C GLY A 19 90.016 0.147 8.640 1.00 0.00 C ATOM 273 O GLY A 19 89.885 -0.908 8.017 1.00 0.00 O ATOM 0 H GLY A 19 92.466 0.384 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.643 0.610 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.407 1.789 8.696 1.00 0.00 H new ATOM 277 N GLU A 20 88.989 0.854 9.091 1.00 0.00 N ATOM 278 CA GLU A 20 87.608 0.433 8.875 1.00 0.00 C ATOM 279 C GLU A 20 86.917 1.507 8.040 1.00 0.00 C ATOM 280 O GLU A 20 87.365 2.653 8.026 1.00 0.00 O ATOM 281 CB GLU A 20 86.898 0.268 10.224 1.00 0.00 C ATOM 282 CG GLU A 20 85.498 -0.301 9.999 1.00 0.00 C ATOM 283 CD GLU A 20 84.804 -0.536 11.336 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.354 -0.133 12.349 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 83.734 -1.123 11.328 1.00 0.00 O ATOM 0 H GLU A 20 89.085 1.726 9.611 1.00 0.00 H new ATOM 0 HA GLU A 20 87.575 -0.524 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.472 -0.396 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.833 1.230 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 84.911 0.388 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.563 -1.238 9.445 1.00 0.00 H new ATOM 292 N ALA A 21 85.839 1.158 7.339 1.00 0.00 N ATOM 293 CA ALA A 21 85.142 2.163 6.513 1.00 0.00 C ATOM 294 C ALA A 21 83.643 1.891 6.485 1.00 0.00 C ATOM 295 O ALA A 21 83.215 0.745 6.508 1.00 0.00 O ATOM 296 CB ALA A 21 85.721 2.159 5.088 1.00 0.00 C ATOM 0 H ALA A 21 85.434 0.222 7.319 1.00 0.00 H new ATOM 0 HA ALA A 21 85.296 3.148 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 85.203 2.903 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.784 2.399 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.587 1.173 4.644 1.00 0.00 H new ATOM 302 N LEU A 22 82.835 2.957 6.463 1.00 0.00 N ATOM 303 CA LEU A 22 81.379 2.788 6.462 1.00 0.00 C ATOM 304 C LEU A 22 80.670 3.736 5.494 1.00 0.00 C ATOM 305 O LEU A 22 80.804 4.956 5.589 1.00 0.00 O ATOM 306 CB LEU A 22 80.824 3.022 7.879 1.00 0.00 C ATOM 307 CG LEU A 22 81.441 2.012 8.886 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.688 2.613 9.551 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.416 1.672 9.980 1.00 0.00 C ATOM 0 H LEU A 22 83.156 3.925 6.446 1.00 0.00 H new ATOM 0 HA LEU A 22 81.184 1.768 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.045 4.041 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.739 2.918 7.871 1.00 0.00 H new ATOM 0 HG LEU A 22 81.718 1.110 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.108 1.893 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.429 2.850 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.413 3.523 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 80.855 0.964 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.135 2.582 10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 22 79.530 1.229 9.524 1.00 0.00 H new ATOM 321 N PHE A 23 79.871 3.151 4.594 1.00 0.00 N ATOM 322 CA PHE A 23 79.076 3.917 3.629 1.00 0.00 C ATOM 323 C PHE A 23 77.602 3.772 3.994 1.00 0.00 C ATOM 324 O PHE A 23 77.006 2.719 3.765 1.00 0.00 O ATOM 325 CB PHE A 23 79.293 3.373 2.203 1.00 0.00 C ATOM 326 CG PHE A 23 80.559 3.940 1.607 1.00 0.00 C ATOM 327 CD1 PHE A 23 81.782 3.293 1.803 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.501 5.110 0.843 1.00 0.00 C ATOM 329 CE1 PHE A 23 82.948 3.820 1.234 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.662 5.634 0.277 1.00 0.00 C ATOM 331 CZ PHE A 23 82.883 4.994 0.468 1.00 0.00 C ATOM 0 H PHE A 23 79.758 2.140 4.515 1.00 0.00 H new ATOM 0 HA PHE A 23 79.381 4.963 3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 23 79.351 2.285 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.441 3.632 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 23 81.828 2.389 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.555 5.608 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 23 83.895 3.324 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.614 6.539 -0.311 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.781 5.401 0.027 1.00 0.00 H new ATOM 341 N GLU A 24 77.014 4.821 4.579 1.00 0.00 N ATOM 342 CA GLU A 24 75.608 4.770 4.989 1.00 0.00 C ATOM 343 C GLU A 24 74.818 5.948 4.406 1.00 0.00 C ATOM 344 O GLU A 24 75.381 6.991 4.070 1.00 0.00 O ATOM 345 CB GLU A 24 75.526 4.723 6.533 1.00 0.00 C ATOM 346 CG GLU A 24 75.548 6.133 7.140 1.00 0.00 C ATOM 347 CD GLU A 24 74.157 6.766 7.067 1.00 0.00 C ATOM 348 OE1 GLU A 24 73.191 6.045 7.268 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 74.079 7.959 6.823 1.00 0.00 O ATOM 0 H GLU A 24 77.483 5.705 4.777 1.00 0.00 H new ATOM 0 HA GLU A 24 75.149 3.864 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 74.613 4.210 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 24 76.362 4.144 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.878 6.084 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 24 76.266 6.755 6.606 1.00 0.00 H new ATOM 356 N CYS A 25 73.508 5.747 4.270 1.00 0.00 N ATOM 357 CA CYS A 25 72.618 6.764 3.709 1.00 0.00 C ATOM 358 C CYS A 25 71.269 6.742 4.419 1.00 0.00 C ATOM 359 O CYS A 25 70.877 5.729 4.999 1.00 0.00 O ATOM 360 CB CYS A 25 72.411 6.481 2.221 1.00 0.00 C ATOM 361 SG CYS A 25 74.019 6.276 1.416 1.00 0.00 S ATOM 0 H CYS A 25 73.037 4.884 4.542 1.00 0.00 H new ATOM 0 HA CYS A 25 73.070 7.746 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.810 5.581 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 25 71.862 7.300 1.757 1.00 0.00 H new ATOM 0 HG CYS A 25 74.714 7.366 1.551 1.00 0.00 H new ATOM 367 N GLN A 26 70.556 7.865 4.365 1.00 0.00 N ATOM 368 CA GLN A 26 69.242 7.964 4.999 1.00 0.00 C ATOM 369 C GLN A 26 68.169 7.864 3.919 1.00 0.00 C ATOM 370 O GLN A 26 67.979 8.790 3.126 1.00 0.00 O ATOM 371 CB GLN A 26 69.136 9.297 5.739 1.00 0.00 C ATOM 372 CG GLN A 26 70.240 9.387 6.799 1.00 0.00 C ATOM 373 CD GLN A 26 70.023 8.344 7.891 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.908 8.184 8.389 1.00 0.00 O ATOM 375 NE2 GLN A 26 71.035 7.627 8.304 1.00 0.00 N ATOM 0 H GLN A 26 70.863 8.715 3.892 1.00 0.00 H new ATOM 0 HA GLN A 26 69.104 7.156 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.226 10.124 5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.157 9.386 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 71.213 9.235 6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.249 10.385 7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 26 71.958 7.761 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 26 70.902 6.933 9.040 1.00 0.00 H new ATOM 384 N LEU A 27 67.509 6.703 3.865 1.00 0.00 N ATOM 385 CA LEU A 27 66.489 6.431 2.845 1.00 0.00 C ATOM 386 C LEU A 27 65.097 6.247 3.468 1.00 0.00 C ATOM 387 O LEU A 27 64.935 5.537 4.462 1.00 0.00 O ATOM 388 CB LEU A 27 66.926 5.171 2.090 1.00 0.00 C ATOM 389 CG LEU A 27 65.799 4.652 1.180 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.427 3.799 0.065 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.768 3.804 1.983 1.00 0.00 C ATOM 0 H LEU A 27 67.663 5.934 4.517 1.00 0.00 H new ATOM 0 HA LEU A 27 66.406 7.278 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.810 5.390 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.208 4.396 2.802 1.00 0.00 H new ATOM 0 HG LEU A 27 65.265 5.501 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.642 3.422 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.121 4.409 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.964 2.960 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 27 63.985 3.452 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.272 2.948 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.325 4.417 2.768 1.00 0.00 H new ATOM 403 N SER A 28 64.096 6.919 2.879 1.00 0.00 N ATOM 404 CA SER A 28 62.715 6.855 3.382 1.00 0.00 C ATOM 405 C SER A 28 61.854 5.863 2.590 1.00 0.00 C ATOM 406 O SER A 28 61.347 6.170 1.516 1.00 0.00 O ATOM 407 CB SER A 28 62.083 8.246 3.317 1.00 0.00 C ATOM 408 OG SER A 28 60.732 8.170 3.761 1.00 0.00 O ATOM 0 H SER A 28 64.216 7.511 2.057 1.00 0.00 H new ATOM 0 HA SER A 28 62.756 6.504 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.644 8.942 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 28 62.122 8.628 2.297 1.00 0.00 H new ATOM 0 HG SER A 28 60.324 9.060 3.722 1.00 0.00 H new ATOM 414 N GLN A 29 61.684 4.687 3.176 1.00 0.00 N ATOM 415 CA GLN A 29 60.878 3.605 2.608 1.00 0.00 C ATOM 416 C GLN A 29 60.914 2.421 3.597 1.00 0.00 C ATOM 417 O GLN A 29 61.921 1.717 3.664 1.00 0.00 O ATOM 418 CB GLN A 29 61.455 3.156 1.246 1.00 0.00 C ATOM 419 CG GLN A 29 60.451 2.299 0.395 1.00 0.00 C ATOM 420 CD GLN A 29 59.085 2.105 1.066 1.00 0.00 C ATOM 421 OE1 GLN A 29 58.951 1.301 1.980 1.00 0.00 O ATOM 422 NE2 GLN A 29 58.059 2.791 0.651 1.00 0.00 N ATOM 0 H GLN A 29 62.107 4.449 4.073 1.00 0.00 H new ATOM 0 HA GLN A 29 59.856 3.949 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.744 4.038 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.362 2.576 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.306 2.780 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 29 60.894 1.322 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 29 58.168 3.461 -0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.147 2.658 1.087 1.00 0.00 H new ATOM 431 N PRO A 30 59.884 2.200 4.392 1.00 0.00 N ATOM 432 CA PRO A 30 59.899 1.095 5.402 1.00 0.00 C ATOM 433 C PRO A 30 60.128 -0.296 4.786 1.00 0.00 C ATOM 434 O PRO A 30 60.589 -1.208 5.471 1.00 0.00 O ATOM 435 CB PRO A 30 58.534 1.180 6.128 1.00 0.00 C ATOM 436 CG PRO A 30 57.761 2.328 5.512 1.00 0.00 C ATOM 437 CD PRO A 30 58.629 2.972 4.416 1.00 0.00 C ATOM 0 HA PRO A 30 60.738 1.221 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.983 0.245 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.677 1.344 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.823 1.969 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.506 3.064 6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.128 2.935 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.820 4.022 4.636 1.00 0.00 H new ATOM 445 N GLU A 31 59.830 -0.455 3.500 1.00 0.00 N ATOM 446 CA GLU A 31 60.038 -1.741 2.821 1.00 0.00 C ATOM 447 C GLU A 31 60.402 -1.494 1.360 1.00 0.00 C ATOM 448 O GLU A 31 59.760 -0.686 0.688 1.00 0.00 O ATOM 449 CB GLU A 31 58.762 -2.591 2.885 1.00 0.00 C ATOM 450 CG GLU A 31 59.020 -3.969 2.259 1.00 0.00 C ATOM 451 CD GLU A 31 57.729 -4.782 2.238 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.803 -4.411 2.940 1.00 0.00 O ATOM 453 OE2 GLU A 31 57.682 -5.760 1.508 1.00 0.00 O1- ATOM 0 H GLU A 31 59.447 0.281 2.907 1.00 0.00 H new ATOM 0 HA GLU A 31 60.847 -2.273 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.443 -2.706 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.952 -2.088 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 59.402 -3.851 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 31 59.784 -4.499 2.828 1.00 0.00 H new ATOM 460 N VAL A 32 61.429 -2.197 0.868 1.00 0.00 N ATOM 461 CA VAL A 32 61.867 -2.045 -0.524 1.00 0.00 C ATOM 462 C VAL A 32 61.827 -3.386 -1.252 1.00 0.00 C ATOM 463 O VAL A 32 62.534 -4.328 -0.895 1.00 0.00 O ATOM 464 CB VAL A 32 63.296 -1.472 -0.575 1.00 0.00 C ATOM 465 CG1 VAL A 32 64.234 -2.314 0.299 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.806 -1.470 -2.028 1.00 0.00 C ATOM 0 H VAL A 32 61.969 -2.872 1.409 1.00 0.00 H new ATOM 0 HA VAL A 32 61.185 -1.355 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 32 63.279 -0.450 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 65.241 -1.900 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.880 -2.301 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 32 64.248 -3.341 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.817 -1.064 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.813 -2.490 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.149 -0.855 -2.643 1.00 0.00 H new ATOM 476 N ALA A 33 60.972 -3.462 -2.267 1.00 0.00 N ATOM 477 CA ALA A 33 60.809 -4.684 -3.052 1.00 0.00 C ATOM 478 C ALA A 33 61.833 -4.758 -4.180 1.00 0.00 C ATOM 479 O ALA A 33 61.851 -5.724 -4.942 1.00 0.00 O ATOM 480 CB ALA A 33 59.402 -4.735 -3.651 1.00 0.00 C ATOM 0 H ALA A 33 60.378 -2.689 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 33 60.963 -5.532 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.288 -5.648 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.664 -4.723 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.250 -3.870 -4.297 1.00 0.00 H new ATOM 486 N ALA A 34 62.692 -3.747 -4.285 1.00 0.00 N ATOM 487 CA ALA A 34 63.716 -3.742 -5.328 1.00 0.00 C ATOM 488 C ALA A 34 64.882 -2.836 -4.936 1.00 0.00 C ATOM 489 O ALA A 34 64.710 -1.631 -4.754 1.00 0.00 O ATOM 490 CB ALA A 34 63.110 -3.260 -6.650 1.00 0.00 C ATOM 0 H ALA A 34 62.701 -2.932 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 34 64.090 -4.759 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 34 63.878 -3.259 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.300 -3.928 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 34 62.720 -2.250 -6.524 1.00 0.00 H new ATOM 496 N HIS A 35 66.070 -3.426 -4.815 1.00 0.00 N ATOM 497 CA HIS A 35 67.267 -2.665 -4.448 1.00 0.00 C ATOM 498 C HIS A 35 68.514 -3.312 -5.030 1.00 0.00 C ATOM 499 O HIS A 35 68.670 -4.532 -4.971 1.00 0.00 O ATOM 500 CB HIS A 35 67.394 -2.599 -2.925 1.00 0.00 C ATOM 501 CG HIS A 35 67.110 -3.955 -2.342 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.871 -4.556 -2.463 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.883 -4.830 -1.618 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.928 -5.738 -1.826 1.00 0.00 C ATOM 505 NE2 HIS A 35 67.134 -5.956 -1.292 1.00 0.00 N ATOM 0 H HIS A 35 66.231 -4.422 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 35 67.171 -1.658 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.396 -2.274 -2.646 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.697 -1.864 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.915 -4.668 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 35 65.100 -6.428 -1.754 1.00 0.00 H new ATOM 0 HE2 HIS A 35 67.439 -6.771 -0.761 1.00 0.00 H new ATOM 513 N THR A 36 69.409 -2.488 -5.586 1.00 0.00 N ATOM 514 CA THR A 36 70.648 -2.993 -6.171 1.00 0.00 C ATOM 515 C THR A 36 71.850 -2.208 -5.657 1.00 0.00 C ATOM 516 O THR A 36 71.935 -0.994 -5.834 1.00 0.00 O ATOM 517 CB THR A 36 70.574 -2.877 -7.693 1.00 0.00 C ATOM 518 OG1 THR A 36 69.463 -3.626 -8.161 1.00 0.00 O ATOM 519 CG2 THR A 36 71.859 -3.425 -8.311 1.00 0.00 C ATOM 0 H THR A 36 69.297 -1.476 -5.641 1.00 0.00 H new ATOM 0 HA THR A 36 70.769 -4.037 -5.883 1.00 0.00 H new ATOM 0 HB THR A 36 70.458 -1.831 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.408 -3.555 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.805 -3.342 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.712 -2.853 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.979 -4.472 -8.033 1.00 0.00 H new ATOM 527 N TRP A 37 72.789 -2.919 -5.032 1.00 0.00 N ATOM 528 CA TRP A 37 74.004 -2.301 -4.498 1.00 0.00 C ATOM 529 C TRP A 37 75.221 -2.853 -5.230 1.00 0.00 C ATOM 530 O TRP A 37 75.530 -4.037 -5.122 1.00 0.00 O ATOM 531 CB TRP A 37 74.130 -2.610 -2.999 1.00 0.00 C ATOM 532 CG TRP A 37 75.055 -1.634 -2.331 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.295 -1.277 -2.761 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.824 -0.893 -1.106 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.828 -0.362 -1.869 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.957 -0.094 -0.832 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.741 -0.841 -0.213 1.00 0.00 C ATOM 538 CZ2 TRP A 37 76.015 0.728 0.293 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.792 -0.017 0.919 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.928 0.768 1.174 1.00 0.00 C ATOM 0 H TRP A 37 72.731 -3.926 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 37 73.948 -1.222 -4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.147 -2.566 -2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.504 -3.625 -2.862 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.783 -1.646 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.751 0.062 -1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.863 -1.441 -0.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.892 1.329 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.953 0.015 1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.963 1.401 2.048 1.00 0.00 H new ATOM 551 N LEU A 38 75.916 -1.979 -5.953 1.00 0.00 N ATOM 552 CA LEU A 38 77.117 -2.374 -6.692 1.00 0.00 C ATOM 553 C LEU A 38 78.203 -1.313 -6.574 1.00 0.00 C ATOM 554 O LEU A 38 78.095 -0.227 -7.143 1.00 0.00 O ATOM 555 CB LEU A 38 76.788 -2.588 -8.168 1.00 0.00 C ATOM 556 CG LEU A 38 75.836 -3.780 -8.343 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.442 -3.878 -9.820 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.528 -5.090 -7.918 1.00 0.00 C ATOM 0 H LEU A 38 75.671 -0.993 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 38 77.481 -3.306 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.331 -1.688 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.706 -2.764 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 38 74.955 -3.631 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.765 -4.721 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 38 74.944 -2.958 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.336 -4.025 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.839 -5.924 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.413 -5.250 -8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.822 -5.023 -6.871 1.00 0.00 H new ATOM 570 N LEU A 39 79.265 -1.655 -5.850 1.00 0.00 N ATOM 571 CA LEU A 39 80.397 -0.766 -5.663 1.00 0.00 C ATOM 572 C LEU A 39 81.424 -1.244 -6.655 1.00 0.00 C ATOM 573 O LEU A 39 81.177 -1.184 -7.858 1.00 0.00 O ATOM 574 CB LEU A 39 80.907 -0.843 -4.197 1.00 0.00 C ATOM 575 CG LEU A 39 80.489 -2.159 -3.519 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.284 -3.334 -4.101 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.768 -2.061 -2.018 1.00 0.00 C ATOM 0 H LEU A 39 79.361 -2.555 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 39 80.150 0.283 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.993 -0.756 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.513 0.000 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 39 79.426 -2.327 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.978 -4.259 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.092 -3.409 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.349 -3.171 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.474 -2.991 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.832 -1.888 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.197 -1.234 -1.595 1.00 0.00 H new ATOM 589 N ASP A 40 82.523 -1.817 -6.192 1.00 0.00 N ATOM 590 CA ASP A 40 83.458 -2.389 -7.124 1.00 0.00 C ATOM 591 C ASP A 40 82.641 -3.362 -7.969 1.00 0.00 C ATOM 592 O ASP A 40 81.494 -3.653 -7.633 1.00 0.00 O ATOM 593 CB ASP A 40 84.603 -3.128 -6.419 1.00 0.00 C ATOM 594 CG ASP A 40 85.613 -3.600 -7.462 1.00 0.00 C ATOM 595 OD1 ASP A 40 86.126 -2.761 -8.186 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.852 -4.794 -7.527 1.00 0.00 O ATOM 0 H ASP A 40 82.778 -1.894 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 40 83.932 -1.610 -7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.087 -2.469 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.213 -3.980 -5.861 1.00 0.00 H new ATOM 601 N ASP A 41 83.176 -3.808 -9.067 1.00 0.00 N ATOM 602 CA ASP A 41 82.422 -4.685 -9.944 1.00 0.00 C ATOM 603 C ASP A 41 82.132 -6.041 -9.291 1.00 0.00 C ATOM 604 O ASP A 41 82.169 -7.073 -9.962 1.00 0.00 O ATOM 605 CB ASP A 41 83.189 -4.892 -11.256 1.00 0.00 C ATOM 606 CG ASP A 41 84.574 -5.473 -10.982 1.00 0.00 C ATOM 607 OD1 ASP A 41 84.962 -5.514 -9.828 1.00 0.00 O ATOM 608 OD2 ASP A 41 85.226 -5.871 -11.934 1.00 0.00 O1- ATOM 0 H ASP A 41 84.120 -3.588 -9.383 1.00 0.00 H new ATOM 0 HA ASP A 41 81.464 -4.206 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.630 -5.563 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.285 -3.942 -11.782 1.00 0.00 H new ATOM 613 N GLU A 42 81.797 -6.034 -7.983 1.00 0.00 N ATOM 614 CA GLU A 42 81.455 -7.284 -7.276 1.00 0.00 C ATOM 615 C GLU A 42 80.210 -7.078 -6.393 1.00 0.00 C ATOM 616 O GLU A 42 80.096 -6.045 -5.733 1.00 0.00 O ATOM 617 CB GLU A 42 82.619 -7.741 -6.388 1.00 0.00 C ATOM 618 CG GLU A 42 83.788 -8.182 -7.268 1.00 0.00 C ATOM 619 CD GLU A 42 84.939 -8.669 -6.397 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.694 -9.507 -5.547 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 86.049 -8.198 -6.591 1.00 0.00 O ATOM 0 H GLU A 42 81.757 -5.194 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 42 81.251 -8.046 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.930 -6.929 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.301 -8.564 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.468 -8.978 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.119 -7.351 -7.891 1.00 0.00 H new ATOM 628 N PRO A 43 79.286 -8.024 -6.340 1.00 0.00 N ATOM 629 CA PRO A 43 78.076 -7.873 -5.478 1.00 0.00 C ATOM 630 C PRO A 43 78.485 -7.692 -4.014 1.00 0.00 C ATOM 631 O PRO A 43 79.485 -8.263 -3.577 1.00 0.00 O ATOM 632 CB PRO A 43 77.261 -9.176 -5.673 1.00 0.00 C ATOM 633 CG PRO A 43 78.005 -10.030 -6.671 1.00 0.00 C ATOM 634 CD PRO A 43 79.293 -9.295 -7.084 1.00 0.00 C ATOM 0 HA PRO A 43 77.489 -6.995 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.148 -9.703 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.257 -8.950 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.246 -10.999 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.382 -10.221 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.176 -9.886 -6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.315 -9.118 -8.159 1.00 0.00 H new ATOM 642 N VAL A 44 77.738 -6.882 -3.258 1.00 0.00 N ATOM 643 CA VAL A 44 78.100 -6.646 -1.858 1.00 0.00 C ATOM 644 C VAL A 44 77.480 -7.681 -0.927 1.00 0.00 C ATOM 645 O VAL A 44 76.383 -7.502 -0.404 1.00 0.00 O ATOM 646 CB VAL A 44 77.664 -5.244 -1.411 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.462 -4.832 -0.175 1.00 0.00 C ATOM 648 CG2 VAL A 44 77.910 -4.236 -2.534 1.00 0.00 C ATOM 0 H VAL A 44 76.903 -6.392 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 44 79.185 -6.731 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 44 76.601 -5.261 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.153 -3.836 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.278 -5.543 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.525 -4.822 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.598 -3.244 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.971 -4.219 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.337 -4.525 -3.415 1.00 0.00 H new ATOM 658 N ARG A 45 78.236 -8.738 -0.701 1.00 0.00 N ATOM 659 CA ARG A 45 77.856 -9.810 0.205 1.00 0.00 C ATOM 660 C ARG A 45 79.150 -10.345 0.793 1.00 0.00 C ATOM 661 O ARG A 45 79.693 -9.779 1.724 1.00 0.00 O ATOM 662 CB ARG A 45 77.110 -10.923 -0.531 1.00 0.00 C ATOM 663 CG ARG A 45 75.675 -10.481 -0.886 1.00 0.00 C ATOM 664 CD ARG A 45 74.786 -10.380 0.380 1.00 0.00 C ATOM 665 NE ARG A 45 74.625 -8.988 0.790 1.00 0.00 N ATOM 666 CZ ARG A 45 73.860 -8.667 1.828 1.00 0.00 C ATOM 667 NH1 ARG A 45 74.193 -9.054 3.026 1.00 0.00 N ATOM 668 NH2 ARG A 45 72.774 -7.968 1.651 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.143 -8.880 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 45 77.182 -9.440 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.649 -11.188 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.076 -11.817 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.704 -9.515 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.236 -11.192 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 73.809 -10.820 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 45 75.234 -10.953 1.191 1.00 0.00 H new ATOM 0 HE ARG A 45 75.106 -8.252 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 45 75.041 -9.603 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.606 -8.808 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 45 72.509 -7.666 0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.189 -7.723 2.450 1.00 0.00 H new ATOM 682 N THR A 46 79.651 -11.414 0.192 1.00 0.00 N ATOM 683 CA THR A 46 80.924 -12.012 0.607 1.00 0.00 C ATOM 684 C THR A 46 80.897 -12.458 2.082 1.00 0.00 C ATOM 685 O THR A 46 80.047 -13.264 2.460 1.00 0.00 O ATOM 686 CB THR A 46 82.068 -11.006 0.327 1.00 0.00 C ATOM 687 OG1 THR A 46 82.271 -10.170 1.456 1.00 0.00 O ATOM 688 CG2 THR A 46 81.707 -10.130 -0.883 1.00 0.00 C ATOM 0 H THR A 46 79.198 -11.891 -0.588 1.00 0.00 H new ATOM 0 HA THR A 46 81.097 -12.917 0.025 1.00 0.00 H new ATOM 0 HB THR A 46 82.980 -11.566 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.404 -9.880 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.515 -9.424 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.561 -10.762 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.789 -9.582 -0.674 1.00 0.00 H new ATOM 696 N SER A 47 81.844 -11.984 2.910 1.00 0.00 N ATOM 697 CA SER A 47 81.909 -12.402 4.324 1.00 0.00 C ATOM 698 C SER A 47 82.290 -11.226 5.236 1.00 0.00 C ATOM 699 O SER A 47 81.894 -10.095 5.000 1.00 0.00 O ATOM 700 CB SER A 47 82.952 -13.504 4.468 1.00 0.00 C ATOM 701 OG SER A 47 82.754 -14.479 3.447 1.00 0.00 O ATOM 0 H SER A 47 82.566 -11.320 2.631 1.00 0.00 H new ATOM 0 HA SER A 47 80.925 -12.763 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 47 83.955 -13.083 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 47 82.873 -13.969 5.451 1.00 0.00 H new ATOM 0 HG SER A 47 83.425 -15.188 3.537 1.00 0.00 H new ATOM 707 N GLU A 48 83.054 -11.496 6.292 1.00 0.00 N ATOM 708 CA GLU A 48 83.448 -10.428 7.213 1.00 0.00 C ATOM 709 C GLU A 48 84.160 -9.300 6.461 1.00 0.00 C ATOM 710 O GLU A 48 83.970 -8.124 6.766 1.00 0.00 O ATOM 711 CB GLU A 48 84.361 -10.988 8.323 1.00 0.00 C ATOM 712 CG GLU A 48 85.713 -11.413 7.740 1.00 0.00 C ATOM 713 CD GLU A 48 86.585 -12.036 8.825 1.00 0.00 C ATOM 714 OE1 GLU A 48 86.519 -11.575 9.954 1.00 0.00 O ATOM 715 OE2 GLU A 48 87.310 -12.965 8.510 1.00 0.00 O1- ATOM 0 H GLU A 48 83.407 -12.423 6.530 1.00 0.00 H new ATOM 0 HA GLU A 48 82.547 -10.021 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 48 84.512 -10.232 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 48 83.880 -11.841 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 85.560 -12.128 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 48 86.219 -10.549 7.309 1.00 0.00 H new ATOM 722 N ASN A 49 84.994 -9.672 5.491 1.00 0.00 N ATOM 723 CA ASN A 49 85.754 -8.687 4.715 1.00 0.00 C ATOM 724 C ASN A 49 84.833 -7.792 3.882 1.00 0.00 C ATOM 725 O ASN A 49 85.303 -6.946 3.124 1.00 0.00 O ATOM 726 CB ASN A 49 86.765 -9.398 3.800 1.00 0.00 C ATOM 727 CG ASN A 49 86.062 -10.419 2.908 1.00 0.00 C ATOM 728 OD1 ASN A 49 84.834 -10.435 2.822 1.00 0.00 O ATOM 729 ND2 ASN A 49 86.777 -11.280 2.235 1.00 0.00 N ATOM 0 H ASN A 49 85.162 -10.642 5.223 1.00 0.00 H new ATOM 0 HA ASN A 49 86.289 -8.051 5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.283 -8.664 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.522 -9.897 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.318 -11.967 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.794 -11.265 2.307 1.00 0.00 H new ATOM 736 N ALA A 50 83.527 -7.974 4.045 1.00 0.00 N ATOM 737 CA ALA A 50 82.539 -7.171 3.320 1.00 0.00 C ATOM 738 C ALA A 50 81.163 -7.794 3.502 1.00 0.00 C ATOM 739 O ALA A 50 81.017 -8.991 3.316 1.00 0.00 O ATOM 740 CB ALA A 50 82.897 -7.110 1.829 1.00 0.00 C ATOM 0 H ALA A 50 83.124 -8.670 4.672 1.00 0.00 H new ATOM 0 HA ALA A 50 82.535 -6.155 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.155 -6.511 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.881 -6.657 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.909 -8.119 1.416 1.00 0.00 H new ATOM 746 N GLU A 51 80.159 -6.982 3.833 1.00 0.00 N ATOM 747 CA GLU A 51 78.799 -7.502 4.013 1.00 0.00 C ATOM 748 C GLU A 51 77.837 -6.360 4.319 1.00 0.00 C ATOM 749 O GLU A 51 78.175 -5.445 5.078 1.00 0.00 O ATOM 750 CB GLU A 51 78.769 -8.511 5.171 1.00 0.00 C ATOM 751 CG GLU A 51 77.371 -9.115 5.306 1.00 0.00 C ATOM 752 CD GLU A 51 77.346 -10.093 6.473 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.282 -10.074 7.257 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.397 -10.851 6.565 1.00 0.00 O1- ATOM 0 H GLU A 51 80.256 -5.977 3.980 1.00 0.00 H new ATOM 0 HA GLU A 51 78.493 -7.997 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.499 -9.301 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.052 -8.018 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.637 -8.325 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.095 -9.627 4.384 1.00 0.00 H new ATOM 761 N VAL A 52 76.641 -6.389 3.720 1.00 0.00 N ATOM 762 CA VAL A 52 75.657 -5.325 3.941 1.00 0.00 C ATOM 763 C VAL A 52 74.740 -5.652 5.124 1.00 0.00 C ATOM 764 O VAL A 52 74.340 -6.801 5.327 1.00 0.00 O ATOM 765 CB VAL A 52 74.792 -5.139 2.682 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.104 -3.771 2.715 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.667 -5.226 1.432 1.00 0.00 C ATOM 0 H VAL A 52 76.334 -7.127 3.087 1.00 0.00 H new ATOM 0 HA VAL A 52 76.205 -4.409 4.161 1.00 0.00 H new ATOM 0 HB VAL A 52 74.038 -5.926 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.494 -3.649 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.469 -3.704 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.858 -2.985 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.048 -5.093 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.427 -4.445 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.151 -6.202 1.394 1.00 0.00 H new ATOM 777 N VAL A 53 74.392 -4.614 5.873 1.00 0.00 N ATOM 778 CA VAL A 53 73.497 -4.738 7.020 1.00 0.00 C ATOM 779 C VAL A 53 72.658 -3.467 7.123 1.00 0.00 C ATOM 780 O VAL A 53 73.119 -2.391 6.748 1.00 0.00 O ATOM 781 CB VAL A 53 74.312 -4.940 8.300 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.980 -6.318 8.272 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.396 -3.861 8.385 1.00 0.00 C ATOM 0 H VAL A 53 74.721 -3.663 5.704 1.00 0.00 H new ATOM 0 HA VAL A 53 72.843 -5.600 6.890 1.00 0.00 H new ATOM 0 HB VAL A 53 73.651 -4.871 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.560 -6.460 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.215 -7.092 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.641 -6.384 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.979 -4.002 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.053 -3.936 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.929 -2.876 8.402 1.00 0.00 H new ATOM 793 N PHE A 54 71.430 -3.580 7.623 1.00 0.00 N ATOM 794 CA PHE A 54 70.569 -2.405 7.748 1.00 0.00 C ATOM 795 C PHE A 54 69.504 -2.635 8.825 1.00 0.00 C ATOM 796 O PHE A 54 69.137 -3.776 9.102 1.00 0.00 O ATOM 797 CB PHE A 54 69.922 -2.094 6.391 1.00 0.00 C ATOM 798 CG PHE A 54 68.906 -3.150 6.037 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.293 -4.305 5.344 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.567 -2.965 6.394 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.338 -5.274 5.013 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.615 -3.935 6.065 1.00 0.00 C ATOM 803 CZ PHE A 54 66.999 -5.088 5.375 1.00 0.00 C ATOM 0 H PHE A 54 71.014 -4.455 7.943 1.00 0.00 H new ATOM 0 HA PHE A 54 71.171 -1.548 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.442 -1.116 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.689 -2.045 5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.327 -4.448 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.268 -2.073 6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 54 68.635 -6.164 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.582 -3.793 6.345 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.262 -5.836 5.121 1.00 0.00 H new ATOM 813 N PHE A 55 69.020 -1.549 9.450 1.00 0.00 N ATOM 814 CA PHE A 55 68.011 -1.672 10.518 1.00 0.00 C ATOM 815 C PHE A 55 66.862 -0.680 10.324 1.00 0.00 C ATOM 816 O PHE A 55 66.798 0.038 9.322 1.00 0.00 O ATOM 817 CB PHE A 55 68.648 -1.402 11.890 1.00 0.00 C ATOM 818 CG PHE A 55 70.001 -2.080 11.996 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.133 -3.447 11.714 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.129 -1.337 12.381 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.384 -4.066 11.814 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.379 -1.956 12.479 1.00 0.00 C ATOM 823 CZ PHE A 55 72.508 -3.321 12.195 1.00 0.00 C ATOM 0 H PHE A 55 69.304 -0.592 9.240 1.00 0.00 H new ATOM 0 HA PHE A 55 67.621 -2.689 10.471 1.00 0.00 H new ATOM 0 HB2 PHE A 55 68.761 -0.328 12.039 1.00 0.00 H new ATOM 0 HB3 PHE A 55 67.991 -1.766 12.680 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.268 -4.023 11.419 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.031 -0.284 12.602 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.483 -5.119 11.597 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.245 -1.381 12.774 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.473 -3.799 12.270 1.00 0.00 H new ATOM 833 N GLU A 56 65.971 -0.648 11.320 1.00 0.00 N ATOM 834 CA GLU A 56 64.819 0.248 11.313 1.00 0.00 C ATOM 835 C GLU A 56 63.905 -0.021 10.119 1.00 0.00 C ATOM 836 O GLU A 56 63.141 0.848 9.698 1.00 0.00 O ATOM 837 CB GLU A 56 65.286 1.702 11.313 1.00 0.00 C ATOM 838 CG GLU A 56 65.948 2.025 12.656 1.00 0.00 C ATOM 839 CD GLU A 56 66.477 3.459 12.650 1.00 0.00 C ATOM 840 OE1 GLU A 56 67.038 3.860 11.643 1.00 0.00 O ATOM 841 OE2 GLU A 56 66.313 4.134 13.652 1.00 0.00 O1- ATOM 0 H GLU A 56 66.031 -1.241 12.148 1.00 0.00 H new ATOM 0 HA GLU A 56 64.241 0.059 12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.991 1.869 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.439 2.367 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.228 1.898 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.765 1.329 12.844 1.00 0.00 H new ATOM 848 N ASN A 57 63.986 -1.236 9.592 1.00 0.00 N ATOM 849 CA ASN A 57 63.161 -1.642 8.455 1.00 0.00 C ATOM 850 C ASN A 57 63.482 -0.826 7.199 1.00 0.00 C ATOM 851 O ASN A 57 62.593 -0.504 6.418 1.00 0.00 O ATOM 852 CB ASN A 57 61.673 -1.482 8.809 1.00 0.00 C ATOM 853 CG ASN A 57 60.808 -2.357 7.901 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.254 -3.405 7.430 1.00 0.00 O ATOM 855 ND2 ASN A 57 59.586 -1.988 7.626 1.00 0.00 N ATOM 0 H ASN A 57 64.616 -1.962 9.933 1.00 0.00 H new ATOM 0 HA ASN A 57 63.383 -2.687 8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.510 -1.757 9.851 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.379 -0.438 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 57 59.002 -2.567 7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.215 -1.121 8.015 1.00 0.00 H new ATOM 862 N GLY A 58 64.762 -0.520 6.990 1.00 0.00 N ATOM 863 CA GLY A 58 65.179 0.222 5.798 1.00 0.00 C ATOM 864 C GLY A 58 65.247 1.731 6.017 1.00 0.00 C ATOM 865 O GLY A 58 65.612 2.466 5.101 1.00 0.00 O ATOM 0 H GLY A 58 65.522 -0.771 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.158 -0.136 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.483 0.011 4.986 1.00 0.00 H new ATOM 869 N LEU A 59 64.917 2.205 7.217 1.00 0.00 N ATOM 870 CA LEU A 59 64.987 3.638 7.469 1.00 0.00 C ATOM 871 C LEU A 59 66.433 4.086 7.329 1.00 0.00 C ATOM 872 O LEU A 59 66.713 5.227 6.956 1.00 0.00 O ATOM 873 CB LEU A 59 64.464 3.993 8.869 1.00 0.00 C ATOM 874 CG LEU A 59 64.061 5.480 8.916 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.780 5.724 8.088 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.826 5.895 10.375 1.00 0.00 C ATOM 0 H LEU A 59 64.608 1.637 8.006 1.00 0.00 H new ATOM 0 HA LEU A 59 64.356 4.152 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.607 3.367 9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.232 3.791 9.616 1.00 0.00 H new ATOM 0 HG LEU A 59 64.865 6.078 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.512 6.780 8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.958 5.440 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.965 5.125 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.541 6.946 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.029 5.287 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.742 5.747 10.947 1.00 0.00 H new ATOM 888 N ARG A 60 67.348 3.153 7.603 1.00 0.00 N ATOM 889 CA ARG A 60 68.777 3.422 7.483 1.00 0.00 C ATOM 890 C ARG A 60 69.461 2.225 6.831 1.00 0.00 C ATOM 891 O ARG A 60 69.050 1.082 7.031 1.00 0.00 O ATOM 892 CB ARG A 60 69.403 3.686 8.857 1.00 0.00 C ATOM 893 CG ARG A 60 70.775 4.337 8.669 1.00 0.00 C ATOM 894 CD ARG A 60 71.386 4.653 10.031 1.00 0.00 C ATOM 895 NE ARG A 60 70.544 5.598 10.758 1.00 0.00 N ATOM 896 CZ ARG A 60 70.696 5.786 12.068 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.878 6.040 12.560 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 69.659 5.718 12.861 1.00 0.00 N ATOM 0 H ARG A 60 67.122 2.207 7.909 1.00 0.00 H new ATOM 0 HA ARG A 60 68.914 4.311 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.756 4.337 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.503 2.752 9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.432 3.669 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.677 5.251 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 60 71.497 3.735 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 60 72.384 5.071 9.901 1.00 0.00 H new ATOM 0 HE ARG A 60 69.828 6.123 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 60 72.687 6.095 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.993 6.184 13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 60 68.735 5.521 12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 60 69.774 5.862 13.864 1.00 0.00 H new ATOM 912 N HIS A 61 70.516 2.495 6.072 1.00 0.00 N ATOM 913 CA HIS A 61 71.280 1.440 5.401 1.00 0.00 C ATOM 914 C HIS A 61 72.774 1.672 5.616 1.00 0.00 C ATOM 915 O HIS A 61 73.290 2.726 5.260 1.00 0.00 O ATOM 916 CB HIS A 61 70.970 1.444 3.893 1.00 0.00 C ATOM 917 CG HIS A 61 69.673 0.724 3.618 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.442 1.364 3.649 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.405 -0.585 3.295 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.502 0.446 3.352 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.036 -0.757 3.127 1.00 0.00 N ATOM 0 H HIS A 61 70.866 3.438 5.903 1.00 0.00 H new ATOM 0 HA HIS A 61 70.998 0.475 5.821 1.00 0.00 H new ATOM 0 HB2 HIS A 61 70.907 2.470 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 61 71.782 0.964 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.147 -1.363 3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.444 0.657 3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.545 -1.617 2.884 1.00 0.00 H new ATOM 929 N LEU A 62 73.470 0.686 6.194 1.00 0.00 N ATOM 930 CA LEU A 62 74.916 0.806 6.439 1.00 0.00 C ATOM 931 C LEU A 62 75.657 -0.395 5.843 1.00 0.00 C ATOM 932 O LEU A 62 75.237 -1.541 5.995 1.00 0.00 O ATOM 933 CB LEU A 62 75.214 0.900 7.960 1.00 0.00 C ATOM 934 CG LEU A 62 74.107 0.186 8.774 1.00 0.00 C ATOM 935 CD1 LEU A 62 74.693 -0.379 10.075 1.00 0.00 C ATOM 936 CD2 LEU A 62 72.983 1.177 9.126 1.00 0.00 C ATOM 0 H LEU A 62 73.062 -0.197 6.499 1.00 0.00 H new ATOM 0 HA LEU A 62 75.265 1.720 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 76.182 0.447 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.277 1.946 8.260 1.00 0.00 H new ATOM 0 HG LEU A 62 73.704 -0.625 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.907 -0.879 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.481 -1.094 9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.107 0.434 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 62 72.211 0.663 9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 62 73.391 1.994 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 72.550 1.576 8.209 1.00 0.00 H new ATOM 948 N LEU A 63 76.775 -0.103 5.182 1.00 0.00 N ATOM 949 CA LEU A 63 77.626 -1.127 4.563 1.00 0.00 C ATOM 950 C LEU A 63 78.996 -1.089 5.228 1.00 0.00 C ATOM 951 O LEU A 63 79.673 -0.062 5.183 1.00 0.00 O ATOM 952 CB LEU A 63 77.753 -0.824 3.060 1.00 0.00 C ATOM 953 CG LEU A 63 78.949 -1.566 2.440 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.892 -3.061 2.797 1.00 0.00 C ATOM 955 CD2 LEU A 63 78.912 -1.388 0.919 1.00 0.00 C ATOM 0 H LEU A 63 77.120 0.849 5.058 1.00 0.00 H new ATOM 0 HA LEU A 63 77.192 -2.119 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.836 -1.117 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.872 0.249 2.912 1.00 0.00 H new ATOM 0 HG LEU A 63 79.877 -1.153 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.744 -3.574 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.923 -3.178 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.968 -3.492 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.757 -1.911 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.982 -1.799 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.971 -0.327 0.675 1.00 0.00 H new ATOM 967 N LEU A 64 79.403 -2.174 5.892 1.00 0.00 N ATOM 968 CA LEU A 64 80.682 -2.181 6.597 1.00 0.00 C ATOM 969 C LEU A 64 81.778 -2.865 5.779 1.00 0.00 C ATOM 970 O LEU A 64 81.583 -3.953 5.224 1.00 0.00 O ATOM 971 CB LEU A 64 80.476 -2.907 7.936 1.00 0.00 C ATOM 972 CG LEU A 64 81.663 -2.659 8.907 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.144 -2.608 10.350 1.00 0.00 C ATOM 974 CD2 LEU A 64 82.691 -3.796 8.790 1.00 0.00 C ATOM 0 H LEU A 64 78.874 -3.044 5.955 1.00 0.00 H new ATOM 0 HA LEU A 64 81.011 -1.155 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.550 -2.565 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.368 -3.977 7.758 1.00 0.00 H new ATOM 0 HG LEU A 64 82.137 -1.713 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.978 -2.434 11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.420 -1.799 10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.665 -3.555 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.518 -3.611 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 64 82.216 -4.744 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 64 83.069 -3.841 7.769 1.00 0.00 H new ATOM 986 N LEU A 65 82.936 -2.200 5.726 1.00 0.00 N ATOM 987 CA LEU A 65 84.109 -2.695 5.007 1.00 0.00 C ATOM 988 C LEU A 65 85.221 -2.968 6.011 1.00 0.00 C ATOM 989 O LEU A 65 85.122 -2.561 7.174 1.00 0.00 O ATOM 990 CB LEU A 65 84.568 -1.673 3.961 1.00 0.00 C ATOM 991 CG LEU A 65 83.428 -1.394 2.966 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.882 -0.339 1.948 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.045 -2.687 2.224 1.00 0.00 C ATOM 0 H LEU A 65 83.085 -1.300 6.183 1.00 0.00 H new ATOM 0 HA LEU A 65 83.855 -3.617 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.869 -0.747 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.442 -2.051 3.430 1.00 0.00 H new ATOM 0 HG LEU A 65 82.561 -1.026 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.074 -0.142 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.141 0.582 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.754 -0.707 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.237 -2.478 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.911 -3.064 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.715 -3.436 2.944 1.00 0.00 H new ATOM 1005 N LYS A 66 86.299 -3.607 5.562 1.00 0.00 N ATOM 1006 CA LYS A 66 87.422 -3.889 6.446 1.00 0.00 C ATOM 1007 C LYS A 66 88.668 -4.219 5.624 1.00 0.00 C ATOM 1008 O LYS A 66 88.648 -4.164 4.392 1.00 0.00 O ATOM 1009 CB LYS A 66 87.068 -5.074 7.381 1.00 0.00 C ATOM 1010 CG LYS A 66 87.522 -4.782 8.821 1.00 0.00 C ATOM 1011 CD LYS A 66 87.034 -5.896 9.768 1.00 0.00 C ATOM 1012 CE LYS A 66 85.613 -5.594 10.264 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.628 -4.356 11.099 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.416 -3.935 4.603 1.00 0.00 H new ATOM 0 HA LYS A 66 87.628 -3.007 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 66 85.993 -5.251 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.547 -5.984 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.609 -4.711 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.128 -3.819 9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.049 -6.855 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.712 -5.982 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.940 -5.465 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 66 85.234 -6.434 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.866 -4.404 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.545 -4.275 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.484 -3.525 10.490 1.00 0.00 H new ATOM 1027 N ASN A 67 89.752 -4.573 6.316 1.00 0.00 N ATOM 1028 CA ASN A 67 91.003 -4.927 5.643 1.00 0.00 C ATOM 1029 C ASN A 67 91.259 -3.981 4.480 1.00 0.00 C ATOM 1030 O ASN A 67 91.404 -4.406 3.333 1.00 0.00 O ATOM 1031 CB ASN A 67 90.946 -6.370 5.139 1.00 0.00 C ATOM 1032 CG ASN A 67 89.663 -6.592 4.351 1.00 0.00 C ATOM 1033 OD1 ASN A 67 89.509 -6.059 3.251 1.00 0.00 O ATOM 1034 ND2 ASN A 67 88.727 -7.347 4.854 1.00 0.00 N ATOM 0 H ASN A 67 89.790 -4.622 7.334 1.00 0.00 H new ATOM 0 HA ASN A 67 91.820 -4.837 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.811 -6.579 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.990 -7.061 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 67 87.861 -7.499 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 67 88.860 -7.786 5.765 1.00 0.00 H new ATOM 1041 N LEU A 68 91.282 -2.696 4.791 1.00 0.00 N ATOM 1042 CA LEU A 68 91.484 -1.677 3.776 1.00 0.00 C ATOM 1043 C LEU A 68 92.820 -1.883 3.062 1.00 0.00 C ATOM 1044 O LEU A 68 93.838 -2.151 3.693 1.00 0.00 O ATOM 1045 CB LEU A 68 91.461 -0.300 4.433 1.00 0.00 C ATOM 1046 CG LEU A 68 90.052 0.007 4.976 1.00 0.00 C ATOM 1047 CD1 LEU A 68 90.096 1.316 5.776 1.00 0.00 C ATOM 1048 CD2 LEU A 68 89.043 0.142 3.813 1.00 0.00 C ATOM 0 H LEU A 68 91.163 -2.334 5.737 1.00 0.00 H new ATOM 0 HA LEU A 68 90.684 -1.750 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 68 92.187 -0.264 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 68 91.754 0.461 3.710 1.00 0.00 H new ATOM 0 HG LEU A 68 89.731 -0.811 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 68 89.102 1.539 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 68 90.794 1.211 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 68 90.423 2.128 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 68 88.053 0.359 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 68 89.353 0.953 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 68 89.010 -0.791 3.250 1.00 0.00 H new ATOM 1060 N ARG A 69 92.798 -1.746 1.737 1.00 0.00 N ATOM 1061 CA ARG A 69 93.998 -1.906 0.913 1.00 0.00 C ATOM 1062 C ARG A 69 93.959 -0.887 -0.225 1.00 0.00 C ATOM 1063 O ARG A 69 92.875 -0.492 -0.652 1.00 0.00 O ATOM 1064 CB ARG A 69 94.032 -3.324 0.324 1.00 0.00 C ATOM 1065 CG ARG A 69 94.493 -4.339 1.386 1.00 0.00 C ATOM 1066 CD ARG A 69 96.023 -4.446 1.392 1.00 0.00 C ATOM 1067 NE ARG A 69 96.445 -5.416 2.399 1.00 0.00 N ATOM 1068 CZ ARG A 69 97.729 -5.671 2.630 1.00 0.00 C ATOM 1069 NH1 ARG A 69 98.648 -4.822 2.259 1.00 0.00 N ATOM 1070 NH2 ARG A 69 98.067 -6.775 3.234 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.956 -1.523 1.207 1.00 0.00 H new ATOM 0 HA ARG A 69 94.887 -1.747 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.042 -3.596 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.707 -3.353 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.139 -4.032 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.054 -5.315 1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.380 -4.750 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 69 96.464 -3.472 1.604 1.00 0.00 H new ATOM 0 HE ARG A 69 95.736 -5.911 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 69 98.383 -3.957 1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 69 99.631 -5.024 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.348 -7.437 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 69 99.050 -6.977 3.414 1.00 0.00 H new ATOM 1084 N PRO A 70 95.084 -0.467 -0.757 1.00 0.00 N ATOM 1085 CA PRO A 70 95.058 0.491 -1.886 1.00 0.00 C ATOM 1086 C PRO A 70 94.197 -0.098 -3.000 1.00 0.00 C ATOM 1087 O PRO A 70 93.446 0.614 -3.668 1.00 0.00 O ATOM 1088 CB PRO A 70 96.533 0.679 -2.308 1.00 0.00 C ATOM 1089 CG PRO A 70 97.375 -0.187 -1.391 1.00 0.00 C ATOM 1090 CD PRO A 70 96.444 -0.847 -0.351 1.00 0.00 C ATOM 0 HA PRO A 70 94.625 1.458 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.675 0.389 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.826 1.726 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.901 -0.949 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.134 0.416 -0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.565 -1.930 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.667 -0.496 0.656 1.00 0.00 H new ATOM 1098 N GLN A 71 94.307 -1.417 -3.172 1.00 0.00 N ATOM 1099 CA GLN A 71 93.520 -2.107 -4.187 1.00 0.00 C ATOM 1100 C GLN A 71 92.040 -1.810 -3.966 1.00 0.00 C ATOM 1101 O GLN A 71 91.342 -1.386 -4.888 1.00 0.00 O ATOM 1102 CB GLN A 71 93.753 -3.626 -4.118 1.00 0.00 C ATOM 1103 CG GLN A 71 92.916 -4.321 -5.203 1.00 0.00 C ATOM 1104 CD GLN A 71 93.235 -5.815 -5.249 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.232 -6.260 -4.681 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.443 -6.618 -5.911 1.00 0.00 N ATOM 0 H GLN A 71 94.925 -2.019 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 71 93.829 -1.752 -5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.810 -3.850 -4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.477 -4.003 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.855 -4.176 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.121 -3.869 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.617 -6.247 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.651 -7.615 -5.957 1.00 0.00 H new ATOM 1115 N ASP A 72 91.551 -2.077 -2.753 1.00 0.00 N ATOM 1116 CA ASP A 72 90.137 -1.884 -2.431 1.00 0.00 C ATOM 1117 C ASP A 72 89.593 -0.561 -2.951 1.00 0.00 C ATOM 1118 O ASP A 72 88.488 -0.533 -3.498 1.00 0.00 O ATOM 1119 CB ASP A 72 89.952 -1.933 -0.910 1.00 0.00 C ATOM 1120 CG ASP A 72 90.124 -3.359 -0.399 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.994 -4.276 -1.195 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 90.373 -3.514 0.785 1.00 0.00 O ATOM 0 H ASP A 72 92.114 -2.427 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 72 89.582 -2.685 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.677 -1.277 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.962 -1.562 -0.646 1.00 0.00 H new ATOM 1127 N SER A 73 90.328 0.540 -2.788 1.00 0.00 N ATOM 1128 CA SER A 73 89.831 1.821 -3.267 1.00 0.00 C ATOM 1129 C SER A 73 89.263 1.672 -4.669 1.00 0.00 C ATOM 1130 O SER A 73 89.986 1.356 -5.614 1.00 0.00 O ATOM 1131 CB SER A 73 90.959 2.853 -3.265 1.00 0.00 C ATOM 1132 OG SER A 73 90.596 3.948 -4.095 1.00 0.00 O ATOM 0 H SER A 73 91.244 0.569 -2.340 1.00 0.00 H new ATOM 0 HA SER A 73 89.038 2.162 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.149 3.199 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.883 2.400 -3.625 1.00 0.00 H new ATOM 0 HG SER A 73 89.968 4.528 -3.615 1.00 0.00 H new ATOM 1138 N CYS A 74 87.958 1.880 -4.792 1.00 0.00 N ATOM 1139 CA CYS A 74 87.292 1.736 -6.083 1.00 0.00 C ATOM 1140 C CYS A 74 86.078 2.649 -6.189 1.00 0.00 C ATOM 1141 O CYS A 74 86.031 3.734 -5.589 1.00 0.00 O ATOM 1142 CB CYS A 74 86.861 0.275 -6.274 1.00 0.00 C ATOM 1143 SG CYS A 74 86.795 -0.116 -8.042 1.00 0.00 S ATOM 0 H CYS A 74 87.344 2.146 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 74 87.996 2.023 -6.864 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.563 -0.390 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.884 0.111 -5.819 1.00 0.00 H new ATOM 0 HG CYS A 74 86.482 -1.368 -8.198 1.00 0.00 H new ATOM 1149 N ARG A 75 85.112 2.199 -6.989 1.00 0.00 N ATOM 1150 CA ARG A 75 83.887 2.948 -7.235 1.00 0.00 C ATOM 1151 C ARG A 75 82.759 2.463 -6.324 1.00 0.00 C ATOM 1152 O ARG A 75 82.441 1.275 -6.298 1.00 0.00 O ATOM 1153 CB ARG A 75 83.493 2.742 -8.709 1.00 0.00 C ATOM 1154 CG ARG A 75 82.634 3.910 -9.213 1.00 0.00 C ATOM 1155 CD ARG A 75 83.536 5.083 -9.601 1.00 0.00 C ATOM 1156 NE ARG A 75 82.755 6.157 -10.195 1.00 0.00 N ATOM 1157 CZ ARG A 75 83.349 7.252 -10.650 1.00 0.00 C ATOM 1158 NH1 ARG A 75 83.566 8.258 -9.849 1.00 0.00 N ATOM 1159 NH2 ARG A 75 83.735 7.315 -11.895 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.159 1.307 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 75 84.054 4.004 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.391 2.655 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 75 82.942 1.807 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 75 82.042 3.594 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.932 4.219 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 75 84.060 5.452 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 75 84.296 4.746 -10.306 1.00 0.00 H new ATOM 0 HE ARG A 75 81.741 6.067 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 75 83.279 8.203 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 75 84.023 9.100 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 75 83.580 6.522 -12.518 1.00 0.00 H new ATOM 0 HH22 ARG A 75 84.192 8.157 -12.245 1.00 0.00 H new ATOM 1173 N VAL A 76 82.145 3.395 -5.590 1.00 0.00 N ATOM 1174 CA VAL A 76 81.035 3.058 -4.689 1.00 0.00 C ATOM 1175 C VAL A 76 79.727 3.610 -5.236 1.00 0.00 C ATOM 1176 O VAL A 76 79.529 4.819 -5.278 1.00 0.00 O ATOM 1177 CB VAL A 76 81.298 3.633 -3.292 1.00 0.00 C ATOM 1178 CG1 VAL A 76 80.426 2.916 -2.258 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.770 3.430 -2.937 1.00 0.00 C ATOM 0 H VAL A 76 82.395 4.384 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 76 80.959 1.973 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 76 81.056 4.696 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.619 3.331 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 76 79.375 3.054 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.662 1.852 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.964 3.837 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 76 83.003 2.365 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.395 3.943 -3.668 1.00 0.00 H new ATOM 1189 N THR A 77 78.835 2.719 -5.666 1.00 0.00 N ATOM 1190 CA THR A 77 77.547 3.135 -6.223 1.00 0.00 C ATOM 1191 C THR A 77 76.399 2.316 -5.624 1.00 0.00 C ATOM 1192 O THR A 77 76.470 1.091 -5.537 1.00 0.00 O ATOM 1193 CB THR A 77 77.584 2.986 -7.748 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.665 3.756 -8.257 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.275 3.497 -8.352 1.00 0.00 C ATOM 0 H THR A 77 78.978 1.709 -5.640 1.00 0.00 H new ATOM 0 HA THR A 77 77.370 4.180 -5.968 1.00 0.00 H new ATOM 0 HB THR A 77 77.713 1.936 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.699 3.667 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.308 3.388 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.441 2.919 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.142 4.548 -8.097 1.00 0.00 H new ATOM 1203 N PHE A 78 75.341 3.019 -5.225 1.00 0.00 N ATOM 1204 CA PHE A 78 74.150 2.394 -4.637 1.00 0.00 C ATOM 1205 C PHE A 78 72.902 3.081 -5.180 1.00 0.00 C ATOM 1206 O PHE A 78 72.797 4.304 -5.112 1.00 0.00 O ATOM 1207 CB PHE A 78 74.186 2.539 -3.106 1.00 0.00 C ATOM 1208 CG PHE A 78 72.843 2.164 -2.500 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.439 0.824 -2.462 1.00 0.00 C ATOM 1210 CD2 PHE A 78 72.005 3.161 -1.971 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.203 0.481 -1.898 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.770 2.815 -1.408 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.369 1.476 -1.371 1.00 0.00 C ATOM 0 H PHE A 78 75.281 4.035 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 78 74.132 1.336 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.968 1.901 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.438 3.565 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 78 73.080 0.055 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.314 4.195 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.892 -0.553 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 78 70.127 3.582 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.417 1.209 -0.936 1.00 0.00 H new ATOM 1223 N LEU A 79 71.950 2.308 -5.710 1.00 0.00 N ATOM 1224 CA LEU A 79 70.720 2.912 -6.240 1.00 0.00 C ATOM 1225 C LEU A 79 69.476 2.103 -5.870 1.00 0.00 C ATOM 1226 O LEU A 79 69.323 0.939 -6.230 1.00 0.00 O ATOM 1227 CB LEU A 79 70.813 3.117 -7.772 1.00 0.00 C ATOM 1228 CG LEU A 79 70.926 1.784 -8.540 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.664 2.036 -10.025 1.00 0.00 C ATOM 1230 CD2 LEU A 79 72.328 1.179 -8.369 1.00 0.00 C ATOM 0 H LEU A 79 72.001 1.292 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 79 70.618 3.891 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.932 3.658 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.679 3.739 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 79 70.191 1.085 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.743 1.097 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 79 69.663 2.448 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 71.399 2.743 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 79 72.388 0.239 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 79 73.074 1.874 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 79 72.518 0.994 -7.312 1.00 0.00 H new ATOM 1242 N ALA A 80 68.578 2.752 -5.133 1.00 0.00 N ATOM 1243 CA ALA A 80 67.325 2.133 -4.709 1.00 0.00 C ATOM 1244 C ALA A 80 66.188 2.755 -5.505 1.00 0.00 C ATOM 1245 O ALA A 80 65.760 3.874 -5.222 1.00 0.00 O ATOM 1246 CB ALA A 80 67.099 2.366 -3.215 1.00 0.00 C ATOM 0 H ALA A 80 68.697 3.714 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 80 67.366 1.058 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.162 1.900 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 80 67.922 1.928 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.052 3.437 -3.017 1.00 0.00 H new ATOM 1252 N GLY A 81 65.706 2.035 -6.506 1.00 0.00 N ATOM 1253 CA GLY A 81 64.628 2.551 -7.331 1.00 0.00 C ATOM 1254 C GLY A 81 65.018 3.907 -7.908 1.00 0.00 C ATOM 1255 O GLY A 81 66.195 4.160 -8.172 1.00 0.00 O ATOM 0 H GLY A 81 66.039 1.106 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.410 1.852 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.719 2.647 -6.738 1.00 0.00 H new ATOM 1259 N ASP A 82 64.026 4.753 -8.149 1.00 0.00 N ATOM 1260 CA ASP A 82 64.249 6.069 -8.741 1.00 0.00 C ATOM 1261 C ASP A 82 65.327 6.903 -8.028 1.00 0.00 C ATOM 1262 O ASP A 82 65.441 8.097 -8.301 1.00 0.00 O ATOM 1263 CB ASP A 82 62.928 6.842 -8.714 1.00 0.00 C ATOM 1264 CG ASP A 82 61.921 6.171 -9.644 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.340 5.344 -10.438 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 60.746 6.489 -9.542 1.00 0.00 O ATOM 0 H ASP A 82 63.048 4.550 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 82 64.609 5.902 -9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.535 6.874 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.093 7.874 -9.024 1.00 0.00 H new ATOM 1271 N MET A 83 66.119 6.302 -7.128 1.00 0.00 N ATOM 1272 CA MET A 83 67.168 7.055 -6.422 1.00 0.00 C ATOM 1273 C MET A 83 68.544 6.463 -6.716 1.00 0.00 C ATOM 1274 O MET A 83 68.810 5.305 -6.398 1.00 0.00 O ATOM 1275 CB MET A 83 66.908 7.020 -4.906 1.00 0.00 C ATOM 1276 CG MET A 83 65.426 7.367 -4.598 1.00 0.00 C ATOM 1277 SD MET A 83 64.578 5.922 -3.900 1.00 0.00 S ATOM 1278 CE MET A 83 64.736 6.359 -2.149 1.00 0.00 C ATOM 0 H MET A 83 66.057 5.316 -6.875 1.00 0.00 H new ATOM 0 HA MET A 83 67.146 8.087 -6.772 1.00 0.00 H new ATOM 0 HB2 MET A 83 67.145 6.031 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.565 7.729 -4.402 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.378 8.200 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.923 7.688 -5.510 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.350 5.545 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.786 6.528 -1.910 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.167 7.267 -1.948 1.00 0.00 H new ATOM 1288 N VAL A 84 69.422 7.268 -7.318 1.00 0.00 N ATOM 1289 CA VAL A 84 70.780 6.825 -7.650 1.00 0.00 C ATOM 1290 C VAL A 84 71.792 7.794 -7.049 1.00 0.00 C ATOM 1291 O VAL A 84 71.650 9.011 -7.167 1.00 0.00 O ATOM 1292 CB VAL A 84 70.952 6.773 -9.173 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.503 8.105 -9.788 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.425 6.519 -9.518 1.00 0.00 C ATOM 0 H VAL A 84 69.218 8.231 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 84 70.945 5.829 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 84 70.342 5.964 -9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.626 8.066 -10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.454 8.281 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.109 8.915 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.544 6.483 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.038 7.324 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.741 5.570 -9.086 1.00 0.00 H new ATOM 1304 N THR A 85 72.807 7.242 -6.394 1.00 0.00 N ATOM 1305 CA THR A 85 73.844 8.054 -5.756 1.00 0.00 C ATOM 1306 C THR A 85 75.206 7.382 -5.923 1.00 0.00 C ATOM 1307 O THR A 85 75.285 6.163 -6.053 1.00 0.00 O ATOM 1308 CB THR A 85 73.508 8.214 -4.267 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.944 7.059 -3.562 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.988 8.367 -4.103 1.00 0.00 C ATOM 0 H THR A 85 72.937 6.236 -6.289 1.00 0.00 H new ATOM 0 HA THR A 85 73.884 9.037 -6.225 1.00 0.00 H new ATOM 0 HB THR A 85 74.009 9.097 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.623 6.255 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.746 8.481 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.650 9.247 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.489 7.482 -4.496 1.00 0.00 H new ATOM 1318 N SER A 86 76.282 8.174 -5.917 1.00 0.00 N ATOM 1319 CA SER A 86 77.627 7.610 -6.066 1.00 0.00 C ATOM 1320 C SER A 86 78.676 8.494 -5.392 1.00 0.00 C ATOM 1321 O SER A 86 78.681 9.715 -5.553 1.00 0.00 O ATOM 1322 CB SER A 86 77.969 7.435 -7.550 1.00 0.00 C ATOM 1323 OG SER A 86 77.797 8.670 -8.226 1.00 0.00 O ATOM 0 H SER A 86 76.251 9.188 -5.813 1.00 0.00 H new ATOM 0 HA SER A 86 77.636 6.636 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.997 7.089 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.328 6.673 -7.994 1.00 0.00 H new ATOM 0 HG SER A 86 77.936 9.409 -7.597 1.00 0.00 H new ATOM 1329 N ALA A 87 79.564 7.855 -4.627 1.00 0.00 N ATOM 1330 CA ALA A 87 80.630 8.551 -3.910 1.00 0.00 C ATOM 1331 C ALA A 87 81.952 7.820 -4.116 1.00 0.00 C ATOM 1332 O ALA A 87 81.977 6.601 -4.277 1.00 0.00 O ATOM 1333 CB ALA A 87 80.304 8.601 -2.419 1.00 0.00 C ATOM 0 H ALA A 87 79.563 6.844 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 87 80.714 9.567 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.102 9.121 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.364 9.132 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.213 7.586 -2.032 1.00 0.00 H new ATOM 1339 N PHE A 88 83.043 8.573 -4.143 1.00 0.00 N ATOM 1340 CA PHE A 88 84.360 7.994 -4.368 1.00 0.00 C ATOM 1341 C PHE A 88 84.921 7.355 -3.100 1.00 0.00 C ATOM 1342 O PHE A 88 84.472 7.643 -1.987 1.00 0.00 O ATOM 1343 CB PHE A 88 85.307 9.094 -4.852 1.00 0.00 C ATOM 1344 CG PHE A 88 86.670 8.511 -5.147 1.00 0.00 C ATOM 1345 CD1 PHE A 88 86.824 7.600 -6.200 1.00 0.00 C ATOM 1346 CD2 PHE A 88 87.781 8.892 -4.382 1.00 0.00 C ATOM 1347 CE1 PHE A 88 88.087 7.070 -6.488 1.00 0.00 C ATOM 1348 CE2 PHE A 88 89.043 8.358 -4.669 1.00 0.00 C ATOM 1349 CZ PHE A 88 89.195 7.449 -5.723 1.00 0.00 C ATOM 0 H PHE A 88 83.042 9.585 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 88 84.268 7.210 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 88 84.902 9.565 -5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 88 85.392 9.872 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.968 7.307 -6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.664 9.597 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 88 88.206 6.369 -7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 88 89.899 8.647 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 88 90.169 7.040 -5.946 1.00 0.00 H new ATOM 1359 N LEU A 89 85.943 6.515 -3.284 1.00 0.00 N ATOM 1360 CA LEU A 89 86.618 5.857 -2.163 1.00 0.00 C ATOM 1361 C LEU A 89 88.116 6.141 -2.252 1.00 0.00 C ATOM 1362 O LEU A 89 88.700 6.100 -3.337 1.00 0.00 O ATOM 1363 CB LEU A 89 86.337 4.348 -2.188 1.00 0.00 C ATOM 1364 CG LEU A 89 87.137 3.622 -1.092 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.789 4.174 0.295 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.797 2.129 -1.139 1.00 0.00 C ATOM 0 H LEU A 89 86.321 6.274 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 89 86.239 6.248 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.271 4.170 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.599 3.941 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 89 88.201 3.779 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.367 3.645 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 87.027 5.237 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.725 4.033 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.358 1.604 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.729 1.993 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.061 1.726 -2.117 1.00 0.00 H new ATOM 1378 N THR A 90 88.738 6.427 -1.109 1.00 0.00 N ATOM 1379 CA THR A 90 90.174 6.712 -1.069 1.00 0.00 C ATOM 1380 C THR A 90 90.842 5.928 0.049 1.00 0.00 C ATOM 1381 O THR A 90 90.489 6.078 1.220 1.00 0.00 O ATOM 1382 CB THR A 90 90.406 8.203 -0.818 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.646 8.963 -1.741 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.891 8.525 -0.987 1.00 0.00 C ATOM 0 H THR A 90 88.274 6.468 -0.202 1.00 0.00 H new ATOM 0 HA THR A 90 90.602 6.421 -2.028 1.00 0.00 H new ATOM 0 HB THR A 90 90.096 8.452 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.374 8.392 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.056 9.588 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.473 7.942 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.204 8.275 -2.001 1.00 0.00 H new ATOM 1392 N VAL A 91 91.811 5.092 -0.308 1.00 0.00 N ATOM 1393 CA VAL A 91 92.527 4.290 0.687 1.00 0.00 C ATOM 1394 C VAL A 91 94.034 4.410 0.496 1.00 0.00 C ATOM 1395 O VAL A 91 94.578 3.970 -0.516 1.00 0.00 O ATOM 1396 CB VAL A 91 92.125 2.823 0.537 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.862 1.981 1.573 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.613 2.684 0.742 1.00 0.00 C ATOM 0 H VAL A 91 92.120 4.950 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 91 92.266 4.657 1.680 1.00 0.00 H new ATOM 0 HB VAL A 91 92.389 2.476 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.574 0.936 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.937 2.078 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.603 2.326 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.326 1.638 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.348 3.033 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.088 3.282 -0.003 1.00 0.00 H new ATOM 1408 N ARG A 92 94.700 5.020 1.477 1.00 0.00 N ATOM 1409 CA ARG A 92 96.146 5.206 1.419 1.00 0.00 C ATOM 1410 C ARG A 92 96.876 3.933 1.840 1.00 0.00 C ATOM 1411 O ARG A 92 96.268 3.011 2.379 1.00 0.00 O ATOM 1412 CB ARG A 92 96.554 6.365 2.326 1.00 0.00 C ATOM 1413 CG ARG A 92 96.009 7.672 1.747 1.00 0.00 C ATOM 1414 CD ARG A 92 96.375 8.835 2.670 1.00 0.00 C ATOM 1415 NE ARG A 92 95.651 8.730 3.931 1.00 0.00 N ATOM 1416 CZ ARG A 92 95.865 9.595 4.915 1.00 0.00 C ATOM 1417 NH1 ARG A 92 95.792 10.875 4.680 1.00 0.00 N ATOM 1418 NH2 ARG A 92 96.156 9.163 6.110 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.260 5.392 2.319 1.00 0.00 H new ATOM 0 HA ARG A 92 96.424 5.435 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.166 6.209 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.640 6.414 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.421 7.841 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 92 94.926 7.609 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.449 8.834 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.137 9.782 2.185 1.00 0.00 H new ATOM 0 HE ARG A 92 94.970 7.981 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 92 95.571 11.210 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 92 95.956 11.542 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 92 96.219 8.161 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 92 96.321 9.827 6.866 1.00 0.00 H new ATOM 1432 N GLY A 93 98.186 3.888 1.587 1.00 0.00 N ATOM 1433 CA GLY A 93 99.000 2.721 1.941 1.00 0.00 C ATOM 1434 C GLY A 93 100.356 3.153 2.494 1.00 0.00 C ATOM 1435 O GLY A 93 100.447 4.143 3.217 1.00 0.00 O ATOM 0 H GLY A 93 98.705 4.643 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.476 2.118 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.144 2.092 1.062 1.00 0.00 H new ATOM 1439 N GLY A 94 101.406 2.409 2.147 1.00 0.00 N ATOM 1440 CA GLY A 94 102.753 2.734 2.615 1.00 0.00 C ATOM 1441 C GLY A 94 103.808 2.083 1.728 1.00 0.00 C ATOM 1442 O GLY A 94 104.072 0.887 1.838 1.00 0.00 O ATOM 0 H GLY A 94 101.351 1.585 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.891 3.815 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 94 102.877 2.395 3.643 1.00 0.00 H new ATOM 1446 N LEU A 95 104.396 2.878 0.833 1.00 0.00 N ATOM 1447 CA LEU A 95 105.414 2.367 -0.092 1.00 0.00 C ATOM 1448 C LEU A 95 106.832 2.656 0.412 1.00 0.00 C ATOM 1449 O LEU A 95 107.808 2.213 -0.192 1.00 0.00 O ATOM 1450 CB LEU A 95 105.218 3.003 -1.479 1.00 0.00 C ATOM 1451 CG LEU A 95 104.070 2.303 -2.219 1.00 0.00 C ATOM 1452 CD1 LEU A 95 102.755 2.515 -1.462 1.00 0.00 C ATOM 1453 CD2 LEU A 95 103.938 2.886 -3.631 1.00 0.00 C ATOM 0 H LEU A 95 104.188 3.871 0.727 1.00 0.00 H new ATOM 0 HA LEU A 95 105.295 1.285 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 95 104.999 4.066 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.138 2.923 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 95 104.285 1.236 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 95 101.945 2.015 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 95 102.842 2.099 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.542 3.582 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 95 103.122 2.388 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 95 103.729 3.954 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 95 104.869 2.731 -4.177 1.00 0.00 H new ATOM 1465 N GLU A 96 106.946 3.392 1.517 1.00 0.00 N ATOM 1466 CA GLU A 96 108.259 3.717 2.080 1.00 0.00 C ATOM 1467 C GLU A 96 108.719 2.626 3.052 1.00 0.00 C ATOM 1468 O GLU A 96 107.955 2.186 3.911 1.00 0.00 O ATOM 1469 CB GLU A 96 108.195 5.075 2.790 1.00 0.00 C ATOM 1470 CG GLU A 96 107.193 5.013 3.945 1.00 0.00 C ATOM 1471 CD GLU A 96 107.010 6.403 4.545 1.00 0.00 C ATOM 1472 OE1 GLU A 96 107.965 7.161 4.537 1.00 0.00 O ATOM 1473 OE2 GLU A 96 105.915 6.688 5.004 1.00 0.00 O1- ATOM 0 H GLU A 96 106.155 3.772 2.037 1.00 0.00 H new ATOM 0 HA GLU A 96 108.985 3.772 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 96 109.181 5.345 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 96 107.901 5.851 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 96 106.236 4.632 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 96 107.547 4.321 4.709 1.00 0.00 H new ATOM 1480 N HIS A 97 109.972 2.188 2.902 1.00 0.00 N ATOM 1481 CA HIS A 97 110.530 1.145 3.769 1.00 0.00 C ATOM 1482 C HIS A 97 112.049 1.273 3.846 1.00 0.00 C ATOM 1483 O HIS A 97 112.729 0.397 4.381 1.00 0.00 O ATOM 1484 CB HIS A 97 110.161 -0.247 3.240 1.00 0.00 C ATOM 1485 CG HIS A 97 110.474 -1.292 4.286 1.00 0.00 C ATOM 1486 ND1 HIS A 97 111.656 -2.023 4.282 1.00 0.00 N ATOM 1487 CD2 HIS A 97 109.761 -1.746 5.370 1.00 0.00 C ATOM 1488 CE1 HIS A 97 111.618 -2.865 5.333 1.00 0.00 C ATOM 1489 NE2 HIS A 97 110.486 -2.737 6.029 1.00 0.00 N ATOM 0 H HIS A 97 110.617 2.537 2.193 1.00 0.00 H new ATOM 0 HA HIS A 97 110.109 1.271 4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 97 109.102 -0.280 2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 97 110.716 -0.457 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 97 108.786 -1.389 5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 97 112.407 -3.559 5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 97 110.211 -3.254 6.864 1.00 0.00 H new ATOM 1497 N HIS A 98 112.576 2.372 3.303 1.00 0.00 N ATOM 1498 CA HIS A 98 114.023 2.612 3.310 1.00 0.00 C ATOM 1499 C HIS A 98 114.389 3.693 4.328 1.00 0.00 C ATOM 1500 O HIS A 98 114.201 4.884 4.078 1.00 0.00 O ATOM 1501 CB HIS A 98 114.480 3.052 1.917 1.00 0.00 C ATOM 1502 CG HIS A 98 115.948 3.375 1.958 1.00 0.00 C ATOM 1503 ND1 HIS A 98 116.918 2.389 2.037 1.00 0.00 N ATOM 1504 CD2 HIS A 98 116.625 4.569 1.955 1.00 0.00 C ATOM 1505 CE1 HIS A 98 118.116 3.001 2.079 1.00 0.00 C ATOM 1506 NE2 HIS A 98 117.994 4.331 2.031 1.00 0.00 N ATOM 0 H HIS A 98 112.028 3.106 2.855 1.00 0.00 H new ATOM 0 HA HIS A 98 114.524 1.685 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 98 114.290 2.261 1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 98 113.912 3.924 1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 98 116.165 5.545 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 98 119.060 2.481 2.144 1.00 0.00 H new ATOM 0 HE2 HIS A 98 118.743 5.023 2.047 1.00 0.00 H new ATOM 1514 N HIS A 99 114.927 3.267 5.471 1.00 0.00 N ATOM 1515 CA HIS A 99 115.330 4.204 6.523 1.00 0.00 C ATOM 1516 C HIS A 99 116.492 3.628 7.329 1.00 0.00 C ATOM 1517 O HIS A 99 116.792 2.436 7.242 1.00 0.00 O ATOM 1518 CB HIS A 99 114.158 4.480 7.472 1.00 0.00 C ATOM 1519 CG HIS A 99 112.964 4.962 6.693 1.00 0.00 C ATOM 1520 ND1 HIS A 99 112.970 6.155 5.987 1.00 0.00 N ATOM 1521 CD2 HIS A 99 111.718 4.420 6.506 1.00 0.00 C ATOM 1522 CE1 HIS A 99 111.762 6.291 5.414 1.00 0.00 C ATOM 1523 NE2 HIS A 99 110.959 5.261 5.697 1.00 0.00 N ATOM 0 H HIS A 99 115.094 2.285 5.693 1.00 0.00 H new ATOM 0 HA HIS A 99 115.640 5.134 6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 99 113.902 3.573 8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 99 114.446 5.228 8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 99 111.378 3.484 6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 99 111.475 7.131 4.799 1.00 0.00 H new ATOM 0 HE2 HIS A 99 109.997 5.121 5.387 1.00 0.00 H new ATOM 1531 N HIS A 100 117.134 4.480 8.123 1.00 0.00 N ATOM 1532 CA HIS A 100 118.252 4.047 8.952 1.00 0.00 C ATOM 1533 C HIS A 100 117.730 3.318 10.188 1.00 0.00 C ATOM 1534 O HIS A 100 117.136 2.246 10.070 1.00 0.00 O ATOM 1535 CB HIS A 100 119.087 5.263 9.360 1.00 0.00 C ATOM 1536 CG HIS A 100 119.776 5.812 8.140 1.00 0.00 C ATOM 1537 ND1 HIS A 100 120.881 5.192 7.579 1.00 0.00 N ATOM 1538 CD2 HIS A 100 119.524 6.911 7.354 1.00 0.00 C ATOM 1539 CE1 HIS A 100 121.250 5.911 6.506 1.00 0.00 C ATOM 1540 NE2 HIS A 100 120.457 6.972 6.322 1.00 0.00 N ATOM 0 H HIS A 100 116.900 5.469 8.209 1.00 0.00 H new ATOM 0 HA HIS A 100 118.881 3.361 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 100 118.449 6.025 9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 100 119.822 4.980 10.113 1.00 0.00 H new ATOM 0 HD2 HIS A 100 118.724 7.619 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 100 122.086 5.662 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 100 120.522 7.674 5.585 1.00 0.00 H new ATOM 1548 N HIS A 101 117.944 3.891 11.371 1.00 0.00 N ATOM 1549 CA HIS A 101 117.474 3.256 12.597 1.00 0.00 C ATOM 1550 C HIS A 101 115.950 3.134 12.576 1.00 0.00 C ATOM 1551 O HIS A 101 115.246 4.122 12.368 1.00 0.00 O ATOM 1552 CB HIS A 101 117.911 4.081 13.811 1.00 0.00 C ATOM 1553 CG HIS A 101 117.502 5.515 13.624 1.00 0.00 C ATOM 1554 ND1 HIS A 101 116.405 6.060 14.272 1.00 0.00 N ATOM 1555 CD2 HIS A 101 118.035 6.531 12.871 1.00 0.00 C ATOM 1556 CE1 HIS A 101 116.314 7.350 13.902 1.00 0.00 C ATOM 1557 NE2 HIS A 101 117.284 7.690 13.048 1.00 0.00 N ATOM 0 H HIS A 101 118.431 4.777 11.505 1.00 0.00 H new ATOM 0 HA HIS A 101 117.908 2.259 12.666 1.00 0.00 H new ATOM 0 HB2 HIS A 101 117.458 3.679 14.718 1.00 0.00 H new ATOM 0 HB3 HIS A 101 118.992 4.015 13.938 1.00 0.00 H new ATOM 0 HD2 HIS A 101 118.905 6.445 12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 101 115.550 8.028 14.252 1.00 0.00 H new ATOM 0 HE2 HIS A 101 117.440 8.602 12.618 1.00 0.00 H new ATOM 1565 N HIS A 102 115.448 1.918 12.786 1.00 0.00 N ATOM 1566 CA HIS A 102 114.002 1.685 12.783 1.00 0.00 C ATOM 1567 C HIS A 102 113.354 2.287 14.028 1.00 0.00 C ATOM 1568 O HIS A 102 112.266 1.855 14.372 1.00 0.00 O ATOM 1569 CB HIS A 102 113.706 0.183 12.732 1.00 0.00 C ATOM 1570 CG HIS A 102 114.278 -0.485 13.952 1.00 0.00 C ATOM 1571 ND1 HIS A 102 115.640 -0.686 14.111 1.00 0.00 N ATOM 1572 CD2 HIS A 102 113.688 -1.002 15.077 1.00 0.00 C ATOM 1573 CE1 HIS A 102 115.824 -1.300 15.294 1.00 0.00 C ATOM 1574 NE2 HIS A 102 114.667 -1.516 15.924 1.00 0.00 N ATOM 1575 OXT HIS A 102 113.954 3.172 14.617 1.00 0.00 O ATOM 0 H HIS A 102 116.013 1.086 12.959 1.00 0.00 H new ATOM 0 HA HIS A 102 113.585 2.167 11.899 1.00 0.00 H new ATOM 0 HB2 HIS A 102 112.630 0.015 12.684 1.00 0.00 H new ATOM 0 HB3 HIS A 102 114.137 -0.253 11.831 1.00 0.00 H new ATOM 0 HD2 HIS A 102 112.626 -1.009 15.276 1.00 0.00 H new ATOM 0 HE1 HIS A 102 116.790 -1.583 15.686 1.00 0.00 H new ATOM 0 HE2 HIS A 102 114.529 -1.962 16.831 1.00 0.00 H new TER 1583 HIS A 102