USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 73 GLN : amide:sc= 0.475 X(o=0.43,f=0.15) USER MOD Set 1.2: A 74 TYR OH : rot 165:sc= -0.0484 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.712 K(o=-0.56,f=-11!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.169 (180deg=-0.626) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00341 (180deg=-0.152) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -140:sc= 0.00185 USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.138 USER MOD Single : A 15 THR OG1 : rot 82:sc= 0.749 USER MOD Single : A 16 CYS SG : rot -64:sc= -5.85! USER MOD Single : A 22 THR OG1 : rot -11:sc= 0.22 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 27 SER OG : rot 93:sc= -0.0852 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.0815 (180deg=0.069) USER MOD Single : A 61 THR OG1 : rot 82:sc= 0.669 USER MOD Single : A 62 GLN : amide:sc= 0.0632 X(o=0.063,f=-0.031) USER MOD Single : A 65 ASN : amide:sc= -0.238 K(o=-0.24,f=-0.89) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.14 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.668 K(o=-0.67,f=-2.2) USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= 1.62 (180deg=-0.347) USER MOD Single : A 96 HIS : no HD1:sc=-0.00722 X(o=-0.0072,f=-0.0072) USER MOD Single : A 97 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-0.75) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 100 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0.02) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.707 18.220 4.500 1.00 0.00 N ATOM 2 CA MET A 1 0.440 18.868 4.070 1.00 0.00 C ATOM 3 C MET A 1 -0.713 17.856 4.156 1.00 0.00 C ATOM 4 O MET A 1 -1.676 18.049 4.910 1.00 0.00 O ATOM 5 CB MET A 1 0.584 19.417 2.625 1.00 0.00 C ATOM 6 CG MET A 1 1.675 20.475 2.451 1.00 0.00 C ATOM 7 SD MET A 1 1.823 21.032 0.737 1.00 0.00 S ATOM 8 CE MET A 1 2.271 19.513 -0.118 1.00 0.00 C ATOM 0 H1 MET A 1 2.444 18.944 4.620 1.00 0.00 H new ATOM 0 H2 MET A 1 1.556 17.727 5.403 1.00 0.00 H new ATOM 0 H3 MET A 1 2.009 17.535 3.778 1.00 0.00 H new ATOM 0 HA MET A 1 0.220 19.706 4.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.793 18.584 1.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.370 19.844 2.316 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.455 21.330 3.091 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.630 20.067 2.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.698 19.756 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.004 18.965 0.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.382 18.897 -0.256 1.00 0.00 H new ATOM 20 N THR A 2 -0.598 16.777 3.369 1.00 0.00 N ATOM 21 CA THR A 2 -1.510 15.625 3.411 1.00 0.00 C ATOM 22 C THR A 2 -0.676 14.368 3.689 1.00 0.00 C ATOM 23 O THR A 2 0.309 14.105 2.981 1.00 0.00 O ATOM 24 CB THR A 2 -2.297 15.482 2.070 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.989 16.707 1.806 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.311 14.316 2.094 1.00 0.00 C ATOM 0 H THR A 2 0.143 16.679 2.675 1.00 0.00 H new ATOM 0 HA THR A 2 -2.248 15.767 4.200 1.00 0.00 H new ATOM 0 HB THR A 2 -1.574 15.263 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.485 16.628 0.965 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.829 14.264 1.136 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.784 13.379 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.037 14.481 2.890 1.00 0.00 H new ATOM 34 N SER A 3 -1.053 13.622 4.736 1.00 0.00 N ATOM 35 CA SER A 3 -0.337 12.415 5.161 1.00 0.00 C ATOM 36 C SER A 3 -0.453 11.298 4.106 1.00 0.00 C ATOM 37 O SER A 3 -1.490 11.161 3.432 1.00 0.00 O ATOM 38 CB SER A 3 -0.856 11.945 6.538 1.00 0.00 C ATOM 39 OG SER A 3 -0.647 12.947 7.524 1.00 0.00 O ATOM 0 H SER A 3 -1.865 13.840 5.313 1.00 0.00 H new ATOM 0 HA SER A 3 0.721 12.657 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.918 11.710 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.345 11.028 6.831 1.00 0.00 H new ATOM 0 HG SER A 3 -0.984 12.631 8.388 1.00 0.00 H new ATOM 45 N THR A 4 0.643 10.525 3.976 1.00 0.00 N ATOM 46 CA THR A 4 0.767 9.452 2.977 1.00 0.00 C ATOM 47 C THR A 4 -0.341 8.378 3.152 1.00 0.00 C ATOM 48 O THR A 4 -0.750 7.758 2.176 1.00 0.00 O ATOM 49 CB THR A 4 2.189 8.798 3.042 1.00 0.00 C ATOM 50 OG1 THR A 4 3.187 9.831 3.142 1.00 0.00 O ATOM 51 CG2 THR A 4 2.496 7.935 1.797 1.00 0.00 C ATOM 0 H THR A 4 1.469 10.630 4.565 1.00 0.00 H new ATOM 0 HA THR A 4 0.637 9.901 1.992 1.00 0.00 H new ATOM 0 HB THR A 4 2.207 8.149 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.960 9.594 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.493 7.504 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.760 7.135 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.452 8.557 0.903 1.00 0.00 H new ATOM 59 N PHE A 5 -0.886 8.244 4.391 1.00 0.00 N ATOM 60 CA PHE A 5 -1.997 7.307 4.660 1.00 0.00 C ATOM 61 C PHE A 5 -3.270 7.750 3.934 1.00 0.00 C ATOM 62 O PHE A 5 -3.890 6.940 3.268 1.00 0.00 O ATOM 63 CB PHE A 5 -2.286 7.133 6.183 1.00 0.00 C ATOM 64 CG PHE A 5 -3.592 6.360 6.469 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.684 4.989 6.214 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.747 7.021 6.913 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.876 4.315 6.398 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.931 6.339 7.106 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.996 4.987 6.840 1.00 0.00 C ATOM 0 H PHE A 5 -0.574 8.770 5.208 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.680 6.337 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.451 6.608 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.343 8.116 6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.814 4.450 5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.709 8.083 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.931 3.256 6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.805 6.863 7.465 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.925 4.454 6.978 1.00 0.00 H new ATOM 79 N ASP A 6 -3.632 9.036 4.087 1.00 0.00 N ATOM 80 CA ASP A 6 -4.901 9.607 3.560 1.00 0.00 C ATOM 81 C ASP A 6 -5.052 9.340 2.051 1.00 0.00 C ATOM 82 O ASP A 6 -6.139 9.001 1.573 1.00 0.00 O ATOM 83 CB ASP A 6 -4.956 11.134 3.838 1.00 0.00 C ATOM 84 CG ASP A 6 -6.237 11.813 3.299 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.310 11.682 3.936 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.186 12.449 2.218 1.00 0.00 O ATOM 0 H ASP A 6 -3.056 9.718 4.580 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.728 9.117 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.890 11.302 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.085 11.609 3.387 1.00 0.00 H new ATOM 91 N ARG A 7 -3.935 9.492 1.324 1.00 0.00 N ATOM 92 CA ARG A 7 -3.878 9.272 -0.130 1.00 0.00 C ATOM 93 C ARG A 7 -4.001 7.770 -0.490 1.00 0.00 C ATOM 94 O ARG A 7 -4.773 7.413 -1.381 1.00 0.00 O ATOM 95 CB ARG A 7 -2.585 9.890 -0.703 1.00 0.00 C ATOM 96 CG ARG A 7 -2.410 11.417 -0.476 1.00 0.00 C ATOM 97 CD ARG A 7 -3.478 12.279 -1.199 1.00 0.00 C ATOM 98 NE ARG A 7 -4.813 12.203 -0.561 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.986 12.105 -1.213 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.032 12.070 -2.539 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.107 12.028 -0.528 1.00 0.00 N ATOM 0 H ARG A 7 -3.042 9.772 1.729 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.733 9.770 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.732 9.376 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.555 9.695 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.451 11.624 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.420 11.716 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.148 13.318 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.558 11.954 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.846 12.227 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.169 12.118 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.930 11.995 -3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.084 12.043 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.999 11.954 -1.017 1.00 0.00 H new ATOM 115 N VAL A 8 -3.242 6.906 0.221 1.00 0.00 N ATOM 116 CA VAL A 8 -3.324 5.428 0.055 1.00 0.00 C ATOM 117 C VAL A 8 -4.743 4.912 0.394 1.00 0.00 C ATOM 118 O VAL A 8 -5.254 4.002 -0.249 1.00 0.00 O ATOM 119 CB VAL A 8 -2.272 4.677 0.963 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.407 3.138 0.858 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.836 5.112 0.620 1.00 0.00 C ATOM 0 H VAL A 8 -2.561 7.204 0.920 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.098 5.216 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.486 4.958 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.664 2.663 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.405 2.838 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.247 2.828 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.132 4.580 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.625 4.880 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.733 6.185 0.781 1.00 0.00 H new ATOM 131 N ALA A 9 -5.357 5.539 1.400 1.00 0.00 N ATOM 132 CA ALA A 9 -6.687 5.186 1.914 1.00 0.00 C ATOM 133 C ALA A 9 -7.755 5.480 0.856 1.00 0.00 C ATOM 134 O ALA A 9 -8.685 4.696 0.665 1.00 0.00 O ATOM 135 CB ALA A 9 -6.976 5.965 3.210 1.00 0.00 C ATOM 0 H ALA A 9 -4.935 6.326 1.893 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.710 4.120 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.964 5.696 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.225 5.716 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.944 7.035 3.006 1.00 0.00 H new ATOM 141 N THR A 10 -7.611 6.648 0.202 1.00 0.00 N ATOM 142 CA THR A 10 -8.420 7.052 -0.959 1.00 0.00 C ATOM 143 C THR A 10 -8.344 6.010 -2.098 1.00 0.00 C ATOM 144 O THR A 10 -9.371 5.607 -2.662 1.00 0.00 O ATOM 145 CB THR A 10 -7.931 8.441 -1.491 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.080 9.431 -0.467 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.679 8.897 -2.748 1.00 0.00 C ATOM 0 H THR A 10 -6.918 7.347 0.471 1.00 0.00 H new ATOM 0 HA THR A 10 -9.457 7.122 -0.631 1.00 0.00 H new ATOM 0 HB THR A 10 -6.882 8.323 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.412 9.279 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.295 9.866 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.532 8.167 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.743 8.983 -2.527 1.00 0.00 H new ATOM 155 N ILE A 11 -7.105 5.584 -2.400 1.00 0.00 N ATOM 156 CA ILE A 11 -6.812 4.587 -3.439 1.00 0.00 C ATOM 157 C ILE A 11 -7.531 3.253 -3.139 1.00 0.00 C ATOM 158 O ILE A 11 -8.248 2.731 -3.989 1.00 0.00 O ATOM 159 CB ILE A 11 -5.251 4.371 -3.558 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.539 5.657 -4.101 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.891 3.116 -4.396 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.980 6.106 -5.487 1.00 0.00 C ATOM 0 H ILE A 11 -6.271 5.927 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.185 4.959 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.877 4.187 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.714 6.473 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.464 5.477 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.807 3.012 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.319 2.230 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.294 3.223 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.429 7.003 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.779 5.313 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.048 6.324 -5.476 1.00 0.00 H new ATOM 174 N ILE A 12 -7.349 2.746 -1.910 1.00 0.00 N ATOM 175 CA ILE A 12 -7.945 1.468 -1.447 1.00 0.00 C ATOM 176 C ILE A 12 -9.484 1.546 -1.419 1.00 0.00 C ATOM 177 O ILE A 12 -10.172 0.568 -1.713 1.00 0.00 O ATOM 178 CB ILE A 12 -7.372 1.074 -0.028 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.834 0.817 -0.141 1.00 0.00 C ATOM 180 CG2 ILE A 12 -8.104 -0.147 0.602 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.136 0.458 1.157 1.00 0.00 C ATOM 0 H ILE A 12 -6.782 3.209 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.669 0.689 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.552 1.910 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.669 0.012 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.363 1.710 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.667 -0.371 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.162 0.086 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.996 -1.013 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.074 0.301 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.260 1.270 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.571 -0.455 1.564 1.00 0.00 H new ATOM 193 N ALA A 13 -10.014 2.733 -1.084 1.00 0.00 N ATOM 194 CA ALA A 13 -11.467 2.985 -1.067 1.00 0.00 C ATOM 195 C ALA A 13 -12.100 2.772 -2.448 1.00 0.00 C ATOM 196 O ALA A 13 -13.070 2.018 -2.593 1.00 0.00 O ATOM 197 CB ALA A 13 -11.759 4.402 -0.561 1.00 0.00 C ATOM 0 H ALA A 13 -9.453 3.542 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.915 2.263 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.836 4.571 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.368 4.515 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.281 5.129 -1.218 1.00 0.00 H new ATOM 203 N GLU A 14 -11.515 3.435 -3.452 1.00 0.00 N ATOM 204 CA GLU A 14 -12.012 3.417 -4.831 1.00 0.00 C ATOM 205 C GLU A 14 -11.748 2.062 -5.510 1.00 0.00 C ATOM 206 O GLU A 14 -12.599 1.559 -6.257 1.00 0.00 O ATOM 207 CB GLU A 14 -11.370 4.583 -5.624 1.00 0.00 C ATOM 208 CG GLU A 14 -11.723 5.984 -5.071 1.00 0.00 C ATOM 209 CD GLU A 14 -11.164 7.133 -5.922 1.00 0.00 C ATOM 210 OE1 GLU A 14 -11.435 7.161 -7.143 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.478 8.032 -5.389 1.00 0.00 O ATOM 0 H GLU A 14 -10.677 4.003 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.093 3.553 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.287 4.462 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.690 4.522 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.807 6.080 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.338 6.073 -4.055 1.00 0.00 H new ATOM 218 N THR A 15 -10.580 1.458 -5.216 1.00 0.00 N ATOM 219 CA THR A 15 -10.153 0.188 -5.820 1.00 0.00 C ATOM 220 C THR A 15 -10.939 -0.991 -5.224 1.00 0.00 C ATOM 221 O THR A 15 -11.708 -1.651 -5.922 1.00 0.00 O ATOM 222 CB THR A 15 -8.611 -0.032 -5.628 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.891 1.052 -6.245 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.122 -1.368 -6.213 1.00 0.00 C ATOM 0 H THR A 15 -9.907 1.841 -4.551 1.00 0.00 H new ATOM 0 HA THR A 15 -10.363 0.238 -6.888 1.00 0.00 H new ATOM 0 HB THR A 15 -8.421 -0.060 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.865 1.817 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.049 -1.465 -6.051 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.639 -2.192 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.331 -1.395 -7.282 1.00 0.00 H new ATOM 232 N CYS A 16 -10.778 -1.198 -3.913 1.00 0.00 N ATOM 233 CA CYS A 16 -11.281 -2.382 -3.198 1.00 0.00 C ATOM 234 C CYS A 16 -12.768 -2.277 -2.815 1.00 0.00 C ATOM 235 O CYS A 16 -13.291 -3.210 -2.193 1.00 0.00 O ATOM 236 CB CYS A 16 -10.424 -2.578 -1.934 1.00 0.00 C ATOM 237 SG CYS A 16 -8.683 -2.188 -2.182 1.00 0.00 S ATOM 0 H CYS A 16 -10.288 -0.540 -3.307 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.203 -3.238 -3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.819 -1.950 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.513 -3.612 -1.600 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.174 -3.009 -3.052 1.00 0.00 H new ATOM 243 N ASP A 17 -13.426 -1.132 -3.145 1.00 0.00 N ATOM 244 CA ASP A 17 -14.867 -0.890 -2.850 1.00 0.00 C ATOM 245 C ASP A 17 -15.125 -0.849 -1.311 1.00 0.00 C ATOM 246 O ASP A 17 -16.245 -1.032 -0.823 1.00 0.00 O ATOM 247 CB ASP A 17 -15.748 -1.951 -3.597 1.00 0.00 C ATOM 248 CG ASP A 17 -17.268 -1.776 -3.410 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.805 -0.716 -3.800 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.934 -2.692 -2.871 1.00 0.00 O ATOM 0 H ASP A 17 -12.974 -0.352 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.156 0.091 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.520 -1.907 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.466 -2.945 -3.251 1.00 0.00 H new ATOM 255 N ILE A 18 -14.060 -0.557 -0.547 1.00 0.00 N ATOM 256 CA ILE A 18 -14.113 -0.499 0.924 1.00 0.00 C ATOM 257 C ILE A 18 -14.321 0.964 1.376 1.00 0.00 C ATOM 258 O ILE A 18 -13.561 1.834 0.955 1.00 0.00 O ATOM 259 CB ILE A 18 -12.793 -1.100 1.543 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.648 -2.605 1.148 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.744 -0.915 3.083 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.368 -3.271 1.610 1.00 0.00 C ATOM 0 H ILE A 18 -13.137 -0.354 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.952 -1.097 1.280 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.947 -0.550 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.494 -3.155 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.711 -2.687 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.819 -1.342 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.782 0.148 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.596 -1.420 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.362 -4.312 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.512 -2.753 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.308 -3.228 2.697 1.00 0.00 H new ATOM 274 N PRO A 19 -15.359 1.265 2.222 1.00 0.00 N ATOM 275 CA PRO A 19 -15.616 2.642 2.716 1.00 0.00 C ATOM 276 C PRO A 19 -14.472 3.161 3.623 1.00 0.00 C ATOM 277 O PRO A 19 -13.866 2.390 4.374 1.00 0.00 O ATOM 278 CB PRO A 19 -16.961 2.505 3.485 1.00 0.00 C ATOM 279 CG PRO A 19 -17.040 1.061 3.873 1.00 0.00 C ATOM 280 CD PRO A 19 -16.362 0.297 2.752 1.00 0.00 C ATOM 0 HA PRO A 19 -15.666 3.375 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.982 3.151 4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.805 2.792 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.541 0.884 4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.076 0.744 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.886 -0.613 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.074 -0.003 1.983 1.00 0.00 H new ATOM 288 N ARG A 20 -14.206 4.478 3.540 1.00 0.00 N ATOM 289 CA ARG A 20 -13.119 5.169 4.281 1.00 0.00 C ATOM 290 C ARG A 20 -13.271 5.045 5.811 1.00 0.00 C ATOM 291 O ARG A 20 -12.274 5.086 6.543 1.00 0.00 O ATOM 292 CB ARG A 20 -13.077 6.667 3.873 1.00 0.00 C ATOM 293 CG ARG A 20 -12.632 6.924 2.418 1.00 0.00 C ATOM 294 CD ARG A 20 -11.151 6.567 2.190 1.00 0.00 C ATOM 295 NE ARG A 20 -10.248 7.346 3.057 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.631 8.482 2.712 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.883 9.056 1.542 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.785 9.056 3.554 1.00 0.00 N ATOM 0 H ARG A 20 -14.746 5.108 2.947 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.183 4.680 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.068 7.097 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.400 7.194 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.253 6.338 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.793 7.973 2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.003 5.503 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.893 6.746 1.146 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.080 6.989 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.551 8.631 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.409 9.922 1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.605 8.632 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.314 9.922 3.292 1.00 0.00 H new ATOM 312 N GLU A 21 -14.528 4.893 6.265 1.00 0.00 N ATOM 313 CA GLU A 21 -14.874 4.718 7.690 1.00 0.00 C ATOM 314 C GLU A 21 -14.308 3.396 8.260 1.00 0.00 C ATOM 315 O GLU A 21 -14.061 3.284 9.463 1.00 0.00 O ATOM 316 CB GLU A 21 -16.417 4.770 7.860 1.00 0.00 C ATOM 317 CG GLU A 21 -17.190 3.679 7.091 1.00 0.00 C ATOM 318 CD GLU A 21 -18.716 3.819 7.209 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.274 3.486 8.280 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.362 4.281 6.242 1.00 0.00 O ATOM 0 H GLU A 21 -15.341 4.888 5.649 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.418 5.532 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.655 4.685 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.772 5.747 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.909 3.717 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.892 2.700 7.465 1.00 0.00 H new ATOM 327 N THR A 22 -14.117 2.395 7.374 1.00 0.00 N ATOM 328 CA THR A 22 -13.548 1.083 7.741 1.00 0.00 C ATOM 329 C THR A 22 -12.120 0.915 7.177 1.00 0.00 C ATOM 330 O THR A 22 -11.591 -0.197 7.120 1.00 0.00 O ATOM 331 CB THR A 22 -14.473 -0.082 7.246 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.593 -0.063 5.814 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.877 0.001 7.871 1.00 0.00 C ATOM 0 H THR A 22 -14.353 2.475 6.385 1.00 0.00 H new ATOM 0 HA THR A 22 -13.489 1.040 8.829 1.00 0.00 H new ATOM 0 HB THR A 22 -14.006 -1.015 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.215 0.771 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.488 -0.823 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.797 -0.063 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.342 0.948 7.597 1.00 0.00 H new ATOM 341 N ILE A 23 -11.504 2.034 6.750 1.00 0.00 N ATOM 342 CA ILE A 23 -10.085 2.082 6.349 1.00 0.00 C ATOM 343 C ILE A 23 -9.315 2.857 7.433 1.00 0.00 C ATOM 344 O ILE A 23 -9.440 4.085 7.539 1.00 0.00 O ATOM 345 CB ILE A 23 -9.897 2.757 4.934 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.616 1.921 3.832 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.401 2.948 4.596 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.518 2.487 2.429 1.00 0.00 C ATOM 0 H ILE A 23 -11.979 2.934 6.673 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.698 1.067 6.259 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.353 3.746 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.198 0.914 3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.669 1.829 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.306 3.415 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.937 3.586 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.904 1.978 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.049 1.835 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.964 3.481 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.470 2.553 2.135 1.00 0.00 H new ATOM 360 N THR A 24 -8.560 2.120 8.260 1.00 0.00 N ATOM 361 CA THR A 24 -7.820 2.673 9.414 1.00 0.00 C ATOM 362 C THR A 24 -6.309 2.369 9.260 1.00 0.00 C ATOM 363 O THR A 24 -5.959 1.390 8.599 1.00 0.00 O ATOM 364 CB THR A 24 -8.373 2.052 10.749 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.245 0.618 10.710 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.852 2.423 10.970 1.00 0.00 C ATOM 0 H THR A 24 -8.442 1.113 8.149 1.00 0.00 H new ATOM 0 HA THR A 24 -7.958 3.754 9.449 1.00 0.00 H new ATOM 0 HB THR A 24 -7.788 2.458 11.574 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.589 0.236 11.544 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.203 1.978 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.951 3.507 11.026 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.450 2.046 10.140 1.00 0.00 H new ATOM 374 N PRO A 25 -5.388 3.224 9.819 1.00 0.00 N ATOM 375 CA PRO A 25 -3.926 2.942 9.839 1.00 0.00 C ATOM 376 C PRO A 25 -3.577 1.551 10.420 1.00 0.00 C ATOM 377 O PRO A 25 -2.675 0.871 9.924 1.00 0.00 O ATOM 378 CB PRO A 25 -3.358 4.083 10.721 1.00 0.00 C ATOM 379 CG PRO A 25 -4.318 5.211 10.517 1.00 0.00 C ATOM 380 CD PRO A 25 -5.683 4.561 10.409 1.00 0.00 C ATOM 0 HA PRO A 25 -3.505 2.913 8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.305 3.789 11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.348 4.358 10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.282 5.914 11.350 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.078 5.773 9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.163 4.472 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.354 5.140 9.775 1.00 0.00 H new ATOM 388 N GLU A 26 -4.348 1.128 11.441 1.00 0.00 N ATOM 389 CA GLU A 26 -4.125 -0.149 12.160 1.00 0.00 C ATOM 390 C GLU A 26 -4.592 -1.370 11.334 1.00 0.00 C ATOM 391 O GLU A 26 -4.199 -2.504 11.628 1.00 0.00 O ATOM 392 CB GLU A 26 -4.856 -0.120 13.530 1.00 0.00 C ATOM 393 CG GLU A 26 -6.392 -0.002 13.429 1.00 0.00 C ATOM 394 CD GLU A 26 -7.088 0.128 14.790 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.954 1.195 15.436 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.764 -0.831 15.228 1.00 0.00 O ATOM 0 H GLU A 26 -5.144 1.660 11.793 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.052 -0.254 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.609 -1.028 14.080 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.477 0.719 14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.642 0.865 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.782 -0.879 12.913 1.00 0.00 H new ATOM 403 N SER A 27 -5.433 -1.117 10.314 1.00 0.00 N ATOM 404 CA SER A 27 -5.991 -2.163 9.443 1.00 0.00 C ATOM 405 C SER A 27 -4.903 -2.788 8.559 1.00 0.00 C ATOM 406 O SER A 27 -3.983 -2.104 8.117 1.00 0.00 O ATOM 407 CB SER A 27 -7.109 -1.568 8.564 1.00 0.00 C ATOM 408 OG SER A 27 -7.627 -2.518 7.659 1.00 0.00 O ATOM 0 H SER A 27 -5.745 -0.177 10.072 1.00 0.00 H new ATOM 0 HA SER A 27 -6.405 -2.949 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.912 -1.197 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.720 -0.713 8.010 1.00 0.00 H new ATOM 0 HG SER A 27 -8.406 -2.959 8.058 1.00 0.00 H new ATOM 414 N HIS A 28 -5.006 -4.099 8.346 1.00 0.00 N ATOM 415 CA HIS A 28 -4.161 -4.864 7.418 1.00 0.00 C ATOM 416 C HIS A 28 -4.987 -5.211 6.172 1.00 0.00 C ATOM 417 O HIS A 28 -6.128 -5.650 6.305 1.00 0.00 O ATOM 418 CB HIS A 28 -3.676 -6.148 8.134 1.00 0.00 C ATOM 419 CG HIS A 28 -2.681 -6.991 7.366 1.00 0.00 C ATOM 420 ND1 HIS A 28 -3.008 -7.627 6.196 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.420 -7.341 7.701 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.950 -8.339 5.865 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.965 -8.198 6.749 1.00 0.00 N ATOM 0 H HIS A 28 -5.696 -4.678 8.825 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.292 -4.282 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.226 -5.864 9.085 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.545 -6.764 8.364 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.873 -7.002 8.568 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.889 -8.961 4.984 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.049 -8.645 6.718 1.00 0.00 H new ATOM 431 N ALA A 29 -4.418 -5.002 4.971 1.00 0.00 N ATOM 432 CA ALA A 29 -5.094 -5.291 3.692 1.00 0.00 C ATOM 433 C ALA A 29 -5.683 -6.725 3.642 1.00 0.00 C ATOM 434 O ALA A 29 -6.884 -6.883 3.476 1.00 0.00 O ATOM 435 CB ALA A 29 -4.137 -5.055 2.522 1.00 0.00 C ATOM 0 H ALA A 29 -3.476 -4.628 4.859 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.936 -4.604 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.648 -5.272 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.809 -4.016 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.271 -5.709 2.623 1.00 0.00 H new ATOM 441 N ILE A 30 -4.841 -7.748 3.850 1.00 0.00 N ATOM 442 CA ILE A 30 -5.262 -9.163 3.723 1.00 0.00 C ATOM 443 C ILE A 30 -6.044 -9.618 4.980 1.00 0.00 C ATOM 444 O ILE A 30 -7.165 -10.133 4.874 1.00 0.00 O ATOM 445 CB ILE A 30 -4.026 -10.112 3.501 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.160 -9.627 2.294 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.460 -11.587 3.306 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.881 -10.424 2.063 1.00 0.00 C ATOM 0 H ILE A 30 -3.861 -7.628 4.108 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.913 -9.230 2.851 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.417 -10.066 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.767 -9.670 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.896 -8.581 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.578 -12.209 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.998 -11.928 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.110 -11.663 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.347 -10.015 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.248 -10.361 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.132 -11.467 1.870 1.00 0.00 H new ATOM 460 N ASP A 31 -5.444 -9.373 6.161 1.00 0.00 N ATOM 461 CA ASP A 31 -5.931 -9.906 7.454 1.00 0.00 C ATOM 462 C ASP A 31 -7.252 -9.255 7.898 1.00 0.00 C ATOM 463 O ASP A 31 -8.150 -9.942 8.394 1.00 0.00 O ATOM 464 CB ASP A 31 -4.843 -9.726 8.551 1.00 0.00 C ATOM 465 CG ASP A 31 -5.313 -10.138 9.964 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.470 -11.351 10.223 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.560 -9.246 10.808 1.00 0.00 O ATOM 0 H ASP A 31 -4.606 -8.799 6.248 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.131 -10.968 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.967 -10.317 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.529 -8.682 8.572 1.00 0.00 H new ATOM 472 N ASP A 32 -7.352 -7.928 7.741 1.00 0.00 N ATOM 473 CA ASP A 32 -8.541 -7.159 8.171 1.00 0.00 C ATOM 474 C ASP A 32 -9.505 -6.966 6.981 1.00 0.00 C ATOM 475 O ASP A 32 -10.614 -7.510 6.975 1.00 0.00 O ATOM 476 CB ASP A 32 -8.111 -5.791 8.773 1.00 0.00 C ATOM 477 CG ASP A 32 -9.276 -4.977 9.375 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.920 -4.183 8.650 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.544 -5.122 10.587 1.00 0.00 O ATOM 0 H ASP A 32 -6.621 -7.356 7.317 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.065 -7.717 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.364 -5.965 9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.631 -5.198 7.995 1.00 0.00 H new ATOM 484 N LEU A 33 -9.034 -6.226 5.957 1.00 0.00 N ATOM 485 CA LEU A 33 -9.864 -5.776 4.817 1.00 0.00 C ATOM 486 C LEU A 33 -10.250 -6.932 3.863 1.00 0.00 C ATOM 487 O LEU A 33 -11.265 -6.844 3.163 1.00 0.00 O ATOM 488 CB LEU A 33 -9.115 -4.663 4.033 1.00 0.00 C ATOM 489 CG LEU A 33 -8.801 -3.343 4.805 1.00 0.00 C ATOM 490 CD1 LEU A 33 -8.026 -2.345 3.911 1.00 0.00 C ATOM 491 CD2 LEU A 33 -10.091 -2.708 5.384 1.00 0.00 C ATOM 0 H LEU A 33 -8.063 -5.921 5.896 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.794 -5.384 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.173 -5.077 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.708 -4.409 3.155 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.158 -3.595 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.821 -1.435 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.085 -2.795 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.625 -2.101 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.838 -1.791 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.780 -2.478 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.563 -3.408 6.073 1.00 0.00 H new ATOM 503 N GLY A 34 -9.439 -8.003 3.837 1.00 0.00 N ATOM 504 CA GLY A 34 -9.675 -9.146 2.940 1.00 0.00 C ATOM 505 C GLY A 34 -9.359 -8.828 1.484 1.00 0.00 C ATOM 506 O GLY A 34 -10.148 -9.130 0.581 1.00 0.00 O ATOM 0 H GLY A 34 -8.613 -8.101 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.064 -9.989 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.716 -9.457 3.022 1.00 0.00 H new ATOM 510 N ILE A 35 -8.204 -8.191 1.266 1.00 0.00 N ATOM 511 CA ILE A 35 -7.688 -7.846 -0.068 1.00 0.00 C ATOM 512 C ILE A 35 -6.666 -8.907 -0.483 1.00 0.00 C ATOM 513 O ILE A 35 -5.744 -9.207 0.282 1.00 0.00 O ATOM 514 CB ILE A 35 -7.000 -6.427 -0.078 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.997 -5.330 0.413 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.436 -6.080 -1.484 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.406 -3.935 0.539 1.00 0.00 C ATOM 0 H ILE A 35 -7.589 -7.894 2.023 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.524 -7.815 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.158 -6.458 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.839 -5.290 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.394 -5.629 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.969 -5.096 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.695 -6.825 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.248 -6.075 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.175 -3.244 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.583 -3.952 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.036 -3.608 -0.432 1.00 0.00 H new ATOM 529 N ASP A 36 -6.843 -9.484 -1.673 1.00 0.00 N ATOM 530 CA ASP A 36 -5.913 -10.488 -2.225 1.00 0.00 C ATOM 531 C ASP A 36 -4.818 -9.791 -3.037 1.00 0.00 C ATOM 532 O ASP A 36 -4.958 -8.611 -3.381 1.00 0.00 O ATOM 533 CB ASP A 36 -6.672 -11.495 -3.122 1.00 0.00 C ATOM 534 CG ASP A 36 -7.743 -12.299 -2.369 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.396 -13.000 -1.394 1.00 0.00 O ATOM 536 OD2 ASP A 36 -8.931 -12.257 -2.762 1.00 0.00 O ATOM 0 H ASP A 36 -7.631 -9.273 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.457 -11.033 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.144 -10.955 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.955 -12.186 -3.566 1.00 0.00 H new ATOM 541 N SER A 37 -3.748 -10.536 -3.373 1.00 0.00 N ATOM 542 CA SER A 37 -2.619 -10.014 -4.155 1.00 0.00 C ATOM 543 C SER A 37 -3.066 -9.497 -5.542 1.00 0.00 C ATOM 544 O SER A 37 -2.456 -8.570 -6.066 1.00 0.00 O ATOM 545 CB SER A 37 -1.546 -11.108 -4.307 1.00 0.00 C ATOM 546 OG SER A 37 -1.143 -11.607 -3.040 1.00 0.00 O ATOM 0 H SER A 37 -3.645 -11.516 -3.109 1.00 0.00 H new ATOM 0 HA SER A 37 -2.200 -9.164 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.937 -11.924 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.682 -10.704 -4.834 1.00 0.00 H new ATOM 0 HG SER A 37 -0.463 -12.301 -3.163 1.00 0.00 H new ATOM 552 N LEU A 38 -4.175 -10.054 -6.091 1.00 0.00 N ATOM 553 CA LEU A 38 -4.731 -9.648 -7.398 1.00 0.00 C ATOM 554 C LEU A 38 -5.301 -8.220 -7.336 1.00 0.00 C ATOM 555 O LEU A 38 -5.007 -7.386 -8.189 1.00 0.00 O ATOM 556 CB LEU A 38 -5.842 -10.634 -7.857 1.00 0.00 C ATOM 557 CG LEU A 38 -5.403 -12.101 -8.148 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.600 -12.954 -8.641 1.00 0.00 C ATOM 559 CD2 LEU A 38 -4.222 -12.140 -9.142 1.00 0.00 C ATOM 0 H LEU A 38 -4.706 -10.797 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.916 -9.670 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.615 -10.657 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.302 -10.232 -8.760 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.055 -12.542 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.265 -13.973 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.376 -12.968 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.001 -12.522 -9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.936 -13.175 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.521 -11.673 -10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.374 -11.599 -8.721 1.00 0.00 H new ATOM 571 N ASP A 39 -6.121 -7.965 -6.310 1.00 0.00 N ATOM 572 CA ASP A 39 -6.774 -6.657 -6.105 1.00 0.00 C ATOM 573 C ASP A 39 -5.754 -5.618 -5.608 1.00 0.00 C ATOM 574 O ASP A 39 -5.877 -4.420 -5.895 1.00 0.00 O ATOM 575 CB ASP A 39 -7.946 -6.801 -5.103 1.00 0.00 C ATOM 576 CG ASP A 39 -8.743 -5.494 -4.913 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.462 -5.088 -5.851 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.668 -4.888 -3.828 1.00 0.00 O ATOM 0 H ASP A 39 -6.354 -8.656 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.173 -6.309 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.620 -7.583 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.554 -7.124 -4.139 1.00 0.00 H new ATOM 583 N PHE A 40 -4.731 -6.103 -4.882 1.00 0.00 N ATOM 584 CA PHE A 40 -3.651 -5.260 -4.346 1.00 0.00 C ATOM 585 C PHE A 40 -2.709 -4.801 -5.482 1.00 0.00 C ATOM 586 O PHE A 40 -2.008 -3.805 -5.337 1.00 0.00 O ATOM 587 CB PHE A 40 -2.874 -6.000 -3.217 1.00 0.00 C ATOM 588 CG PHE A 40 -2.165 -5.061 -2.231 1.00 0.00 C ATOM 589 CD1 PHE A 40 -0.879 -4.589 -2.479 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.798 -4.640 -1.063 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.251 -3.733 -1.599 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.167 -3.785 -0.185 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.896 -3.334 -0.454 1.00 0.00 C ATOM 0 H PHE A 40 -4.631 -7.091 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.095 -4.369 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.569 -6.632 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.135 -6.660 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.364 -4.899 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.796 -4.988 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.747 -3.377 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.672 -3.469 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.404 -2.665 0.236 1.00 0.00 H new ATOM 603 N LEU A 41 -2.685 -5.564 -6.602 1.00 0.00 N ATOM 604 CA LEU A 41 -1.988 -5.141 -7.843 1.00 0.00 C ATOM 605 C LEU A 41 -2.590 -3.826 -8.370 1.00 0.00 C ATOM 606 O LEU A 41 -1.857 -2.938 -8.806 1.00 0.00 O ATOM 607 CB LEU A 41 -2.092 -6.236 -8.943 1.00 0.00 C ATOM 608 CG LEU A 41 -1.216 -7.513 -8.747 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.658 -8.650 -9.699 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.288 -7.189 -8.917 1.00 0.00 C ATOM 0 H LEU A 41 -3.139 -6.474 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.936 -4.988 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.134 -6.547 -9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.826 -5.784 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.366 -7.864 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.028 -9.525 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.698 -8.909 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.560 -8.318 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.874 -8.097 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.465 -6.796 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.586 -6.446 -8.178 1.00 0.00 H new ATOM 622 N ASP A 42 -3.938 -3.728 -8.315 1.00 0.00 N ATOM 623 CA ASP A 42 -4.697 -2.538 -8.768 1.00 0.00 C ATOM 624 C ASP A 42 -4.501 -1.356 -7.806 1.00 0.00 C ATOM 625 O ASP A 42 -4.470 -0.201 -8.246 1.00 0.00 O ATOM 626 CB ASP A 42 -6.204 -2.871 -8.903 1.00 0.00 C ATOM 627 CG ASP A 42 -6.467 -4.029 -9.876 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.606 -3.780 -11.091 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.527 -5.196 -9.435 1.00 0.00 O ATOM 0 H ASP A 42 -4.533 -4.474 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.311 -2.250 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.605 -3.127 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.739 -1.985 -9.245 1.00 0.00 H new ATOM 634 N ILE A 43 -4.371 -1.659 -6.496 1.00 0.00 N ATOM 635 CA ILE A 43 -4.046 -0.643 -5.466 1.00 0.00 C ATOM 636 C ILE A 43 -2.657 -0.047 -5.752 1.00 0.00 C ATOM 637 O ILE A 43 -2.497 1.165 -5.867 1.00 0.00 O ATOM 638 CB ILE A 43 -4.048 -1.270 -4.018 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.436 -1.879 -3.667 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.602 -0.245 -2.940 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.511 -2.514 -2.289 1.00 0.00 C ATOM 0 H ILE A 43 -4.486 -2.602 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.809 0.134 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.316 -2.078 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.191 -1.095 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.689 -2.631 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.618 -0.719 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.591 0.098 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.283 0.606 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.512 -2.913 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.783 -3.322 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.292 -1.763 -1.530 1.00 0.00 H new ATOM 653 N ALA A 44 -1.679 -0.956 -5.925 1.00 0.00 N ATOM 654 CA ALA A 44 -0.265 -0.602 -6.150 1.00 0.00 C ATOM 655 C ALA A 44 -0.094 0.152 -7.486 1.00 0.00 C ATOM 656 O ALA A 44 0.725 1.065 -7.585 1.00 0.00 O ATOM 657 CB ALA A 44 0.603 -1.869 -6.105 1.00 0.00 C ATOM 0 H ALA A 44 -1.849 -1.962 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 44 0.064 0.068 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.646 -1.601 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.502 -2.345 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.277 -2.561 -6.882 1.00 0.00 H new ATOM 663 N PHE A 45 -0.934 -0.227 -8.471 1.00 0.00 N ATOM 664 CA PHE A 45 -0.986 0.393 -9.811 1.00 0.00 C ATOM 665 C PHE A 45 -1.447 1.852 -9.701 1.00 0.00 C ATOM 666 O PHE A 45 -0.849 2.761 -10.289 1.00 0.00 O ATOM 667 CB PHE A 45 -1.948 -0.421 -10.728 1.00 0.00 C ATOM 668 CG PHE A 45 -2.023 0.057 -12.182 1.00 0.00 C ATOM 669 CD1 PHE A 45 -2.920 1.053 -12.572 1.00 0.00 C ATOM 670 CD2 PHE A 45 -1.197 -0.498 -13.160 1.00 0.00 C ATOM 671 CE1 PHE A 45 -2.973 1.488 -13.880 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.255 -0.060 -14.468 1.00 0.00 C ATOM 673 CZ PHE A 45 -2.146 0.928 -14.829 1.00 0.00 C ATOM 0 H PHE A 45 -1.606 -0.985 -8.356 1.00 0.00 H new ATOM 0 HA PHE A 45 0.011 0.383 -10.252 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.634 -1.465 -10.721 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.949 -0.386 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.582 1.489 -11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.503 -1.280 -12.890 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.664 2.269 -14.161 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.601 -0.493 -15.210 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.196 1.263 -15.855 1.00 0.00 H new ATOM 683 N ALA A 46 -2.522 2.053 -8.932 1.00 0.00 N ATOM 684 CA ALA A 46 -3.108 3.380 -8.697 1.00 0.00 C ATOM 685 C ALA A 46 -2.149 4.274 -7.881 1.00 0.00 C ATOM 686 O ALA A 46 -2.134 5.488 -8.057 1.00 0.00 O ATOM 687 CB ALA A 46 -4.459 3.236 -7.985 1.00 0.00 C ATOM 0 H ALA A 46 -3.013 1.298 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.269 3.864 -9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.887 4.224 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.136 2.649 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.315 2.733 -7.029 1.00 0.00 H new ATOM 693 N ILE A 47 -1.356 3.645 -6.997 1.00 0.00 N ATOM 694 CA ILE A 47 -0.338 4.330 -6.170 1.00 0.00 C ATOM 695 C ILE A 47 0.860 4.793 -7.030 1.00 0.00 C ATOM 696 O ILE A 47 1.404 5.885 -6.802 1.00 0.00 O ATOM 697 CB ILE A 47 0.127 3.395 -4.987 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.040 3.223 -3.960 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.418 3.909 -4.293 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.802 2.178 -2.888 1.00 0.00 C ATOM 0 H ILE A 47 -1.401 2.639 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.789 5.223 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 47 0.378 2.422 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.223 4.183 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.948 2.963 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.693 3.229 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.228 3.956 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.240 4.903 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.666 2.133 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.652 1.205 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.084 2.444 -2.311 1.00 0.00 H new ATOM 712 N ASP A 48 1.256 3.950 -8.015 1.00 0.00 N ATOM 713 CA ASP A 48 2.297 4.303 -9.015 1.00 0.00 C ATOM 714 C ASP A 48 1.987 5.656 -9.674 1.00 0.00 C ATOM 715 O ASP A 48 2.839 6.543 -9.747 1.00 0.00 O ATOM 716 CB ASP A 48 2.416 3.225 -10.143 1.00 0.00 C ATOM 717 CG ASP A 48 3.045 1.895 -9.708 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.197 1.908 -9.272 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.421 0.826 -9.866 1.00 0.00 O ATOM 0 H ASP A 48 0.868 3.015 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 48 3.240 4.355 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.421 3.026 -10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.008 3.639 -10.959 1.00 0.00 H new ATOM 724 N LYS A 49 0.731 5.793 -10.106 1.00 0.00 N ATOM 725 CA LYS A 49 0.240 6.958 -10.849 1.00 0.00 C ATOM 726 C LYS A 49 0.010 8.167 -9.918 1.00 0.00 C ATOM 727 O LYS A 49 0.485 9.278 -10.199 1.00 0.00 O ATOM 728 CB LYS A 49 -1.072 6.570 -11.582 1.00 0.00 C ATOM 729 CG LYS A 49 -0.915 5.424 -12.601 1.00 0.00 C ATOM 730 CD LYS A 49 -2.253 4.973 -13.225 1.00 0.00 C ATOM 731 CE LYS A 49 -2.987 6.106 -13.963 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.266 5.650 -14.558 1.00 0.00 N ATOM 0 H LYS A 49 0.014 5.086 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 49 0.994 7.256 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.817 6.281 -10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.460 7.449 -12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.241 5.744 -13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.446 4.572 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.065 4.156 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.899 4.580 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.182 6.923 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.344 6.502 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.726 6.446 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.079 4.888 -15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.892 5.296 -13.807 1.00 0.00 H new ATOM 746 N ALA A 50 -0.706 7.925 -8.801 1.00 0.00 N ATOM 747 CA ALA A 50 -1.148 8.983 -7.863 1.00 0.00 C ATOM 748 C ALA A 50 0.040 9.688 -7.194 1.00 0.00 C ATOM 749 O ALA A 50 0.122 10.919 -7.183 1.00 0.00 O ATOM 750 CB ALA A 50 -2.089 8.397 -6.796 1.00 0.00 C ATOM 0 H ALA A 50 -0.996 6.988 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.689 9.729 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.404 9.188 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.965 7.965 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.566 7.623 -6.235 1.00 0.00 H new ATOM 756 N PHE A 51 0.959 8.889 -6.645 1.00 0.00 N ATOM 757 CA PHE A 51 2.149 9.386 -5.928 1.00 0.00 C ATOM 758 C PHE A 51 3.301 9.711 -6.895 1.00 0.00 C ATOM 759 O PHE A 51 4.239 10.415 -6.511 1.00 0.00 O ATOM 760 CB PHE A 51 2.612 8.352 -4.873 1.00 0.00 C ATOM 761 CG PHE A 51 1.608 8.116 -3.741 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.482 7.317 -3.933 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.795 8.689 -2.483 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.418 7.099 -2.913 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.890 8.470 -1.465 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.210 7.672 -1.682 1.00 0.00 C ATOM 0 H PHE A 51 0.903 7.871 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 51 1.868 10.311 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.809 7.403 -5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.556 8.687 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.312 6.861 -4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.659 9.312 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.286 6.478 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.045 8.925 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.913 7.496 -0.881 1.00 0.00 H new ATOM 776 N GLY A 52 3.226 9.186 -8.138 1.00 0.00 N ATOM 777 CA GLY A 52 4.260 9.420 -9.155 1.00 0.00 C ATOM 778 C GLY A 52 5.555 8.691 -8.823 1.00 0.00 C ATOM 779 O GLY A 52 6.638 9.289 -8.818 1.00 0.00 O ATOM 0 H GLY A 52 2.456 8.597 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.895 9.088 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.455 10.489 -9.236 1.00 0.00 H new ATOM 783 N ILE A 53 5.417 7.394 -8.492 1.00 0.00 N ATOM 784 CA ILE A 53 6.533 6.517 -8.064 1.00 0.00 C ATOM 785 C ILE A 53 6.403 5.119 -8.695 1.00 0.00 C ATOM 786 O ILE A 53 5.444 4.840 -9.407 1.00 0.00 O ATOM 787 CB ILE A 53 6.558 6.337 -6.492 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.188 5.767 -5.993 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.921 7.651 -5.770 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.096 5.507 -4.501 1.00 0.00 C ATOM 0 H ILE A 53 4.517 6.915 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 53 7.453 6.999 -8.394 1.00 0.00 H new ATOM 0 HB ILE A 53 7.340 5.619 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.400 6.466 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.988 4.834 -6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.927 7.485 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.908 7.982 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.184 8.416 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.108 5.114 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.856 4.781 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.258 6.439 -3.959 1.00 0.00 H new ATOM 802 N LYS A 54 7.389 4.247 -8.422 1.00 0.00 N ATOM 803 CA LYS A 54 7.259 2.798 -8.611 1.00 0.00 C ATOM 804 C LYS A 54 7.135 2.141 -7.226 1.00 0.00 C ATOM 805 O LYS A 54 8.069 2.193 -6.427 1.00 0.00 O ATOM 806 CB LYS A 54 8.454 2.197 -9.416 1.00 0.00 C ATOM 807 CG LYS A 54 8.491 0.642 -9.435 1.00 0.00 C ATOM 808 CD LYS A 54 9.548 0.051 -10.402 1.00 0.00 C ATOM 809 CE LYS A 54 9.174 0.237 -11.884 1.00 0.00 C ATOM 810 NZ LYS A 54 10.160 -0.394 -12.795 1.00 0.00 N ATOM 0 H LYS A 54 8.300 4.532 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 54 6.367 2.596 -9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.406 2.561 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.387 2.566 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.693 0.281 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.506 0.268 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.511 0.525 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.670 -1.012 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.189 -0.192 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.104 1.301 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.867 -0.243 -13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.096 0.033 -12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.209 -1.414 -12.600 1.00 0.00 H new ATOM 824 N LEU A 55 5.930 1.632 -6.916 1.00 0.00 N ATOM 825 CA LEU A 55 5.706 0.720 -5.792 1.00 0.00 C ATOM 826 C LEU A 55 6.029 -0.702 -6.294 1.00 0.00 C ATOM 827 O LEU A 55 5.214 -1.276 -7.027 1.00 0.00 O ATOM 828 CB LEU A 55 4.226 0.842 -5.270 1.00 0.00 C ATOM 829 CG LEU A 55 3.865 0.094 -3.923 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.572 0.644 -3.300 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.738 -1.444 -4.080 1.00 0.00 C ATOM 0 H LEU A 55 5.083 1.846 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 55 6.348 0.966 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.002 1.900 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.562 0.470 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 55 4.708 0.289 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.356 0.106 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.696 1.705 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.746 0.511 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.489 -1.889 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.951 -1.673 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.684 -1.853 -4.435 1.00 0.00 H new ATOM 843 N PRO A 56 7.204 -1.310 -5.921 1.00 0.00 N ATOM 844 CA PRO A 56 7.551 -2.659 -6.385 1.00 0.00 C ATOM 845 C PRO A 56 6.869 -3.737 -5.517 1.00 0.00 C ATOM 846 O PRO A 56 7.481 -4.323 -4.623 1.00 0.00 O ATOM 847 CB PRO A 56 9.096 -2.663 -6.273 1.00 0.00 C ATOM 848 CG PRO A 56 9.391 -1.770 -5.094 1.00 0.00 C ATOM 849 CD PRO A 56 8.258 -0.749 -5.028 1.00 0.00 C ATOM 0 HA PRO A 56 7.212 -2.890 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.480 -3.671 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.561 -2.285 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.445 -2.350 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.354 -1.274 -5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.892 -0.626 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.587 0.233 -5.369 1.00 0.00 H new ATOM 857 N LEU A 57 5.592 -4.006 -5.833 1.00 0.00 N ATOM 858 CA LEU A 57 4.782 -5.030 -5.154 1.00 0.00 C ATOM 859 C LEU A 57 5.299 -6.425 -5.514 1.00 0.00 C ATOM 860 O LEU A 57 5.237 -7.340 -4.705 1.00 0.00 O ATOM 861 CB LEU A 57 3.277 -4.905 -5.524 1.00 0.00 C ATOM 862 CG LEU A 57 2.327 -5.949 -4.846 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.371 -5.855 -3.297 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.892 -5.829 -5.392 1.00 0.00 C ATOM 0 H LEU A 57 5.089 -3.515 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 57 4.874 -4.875 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.937 -3.904 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.178 -4.998 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 57 2.693 -6.942 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.697 -6.597 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.387 -6.044 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.060 -4.858 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.254 -6.566 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.509 -4.828 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.896 -6.008 -6.467 1.00 0.00 H new ATOM 876 N GLU A 58 5.835 -6.554 -6.734 1.00 0.00 N ATOM 877 CA GLU A 58 6.462 -7.785 -7.230 1.00 0.00 C ATOM 878 C GLU A 58 7.673 -8.177 -6.364 1.00 0.00 C ATOM 879 O GLU A 58 7.950 -9.365 -6.172 1.00 0.00 O ATOM 880 CB GLU A 58 6.866 -7.590 -8.710 1.00 0.00 C ATOM 881 CG GLU A 58 7.798 -6.381 -8.983 1.00 0.00 C ATOM 882 CD GLU A 58 7.958 -6.056 -10.480 1.00 0.00 C ATOM 883 OE1 GLU A 58 6.997 -5.525 -11.085 1.00 0.00 O ATOM 884 OE2 GLU A 58 9.030 -6.327 -11.062 1.00 0.00 O ATOM 0 H GLU A 58 5.845 -5.794 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 58 5.746 -8.604 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.361 -8.497 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.961 -7.473 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.403 -5.505 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.780 -6.585 -8.556 1.00 0.00 H new ATOM 891 N LYS A 59 8.385 -7.158 -5.840 1.00 0.00 N ATOM 892 CA LYS A 59 9.535 -7.356 -4.948 1.00 0.00 C ATOM 893 C LYS A 59 9.058 -7.585 -3.501 1.00 0.00 C ATOM 894 O LYS A 59 9.578 -8.451 -2.815 1.00 0.00 O ATOM 895 CB LYS A 59 10.494 -6.132 -5.007 1.00 0.00 C ATOM 896 CG LYS A 59 11.924 -6.416 -4.485 1.00 0.00 C ATOM 897 CD LYS A 59 12.811 -5.142 -4.407 1.00 0.00 C ATOM 898 CE LYS A 59 12.562 -4.323 -3.127 1.00 0.00 C ATOM 899 NZ LYS A 59 13.025 -5.058 -1.916 1.00 0.00 N ATOM 0 H LYS A 59 8.175 -6.177 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 59 10.079 -8.239 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.559 -5.786 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.062 -5.319 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.860 -6.867 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.404 -7.146 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.861 -5.432 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.618 -4.516 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.083 -3.368 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.499 -4.101 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.938 -4.443 -1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.441 -5.908 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.019 -5.337 -2.038 1.00 0.00 H new ATOM 913 N TRP A 60 8.040 -6.810 -3.070 1.00 0.00 N ATOM 914 CA TRP A 60 7.554 -6.795 -1.665 1.00 0.00 C ATOM 915 C TRP A 60 6.834 -8.102 -1.292 1.00 0.00 C ATOM 916 O TRP A 60 7.019 -8.627 -0.189 1.00 0.00 O ATOM 917 CB TRP A 60 6.630 -5.575 -1.417 1.00 0.00 C ATOM 918 CG TRP A 60 7.329 -4.227 -1.459 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.660 -3.973 -1.691 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.720 -2.954 -1.239 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.896 -2.627 -1.649 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.727 -1.980 -1.366 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.420 -2.542 -0.942 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.474 -0.621 -1.222 1.00 0.00 C ATOM 925 CZ3 TRP A 60 5.171 -1.191 -0.794 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.192 -0.246 -0.936 1.00 0.00 C ATOM 0 H TRP A 60 7.529 -6.175 -3.683 1.00 0.00 H new ATOM 0 HA TRP A 60 8.429 -6.708 -1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.836 -5.580 -2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.152 -5.691 -0.444 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.410 -4.727 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.799 -2.179 -1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.625 -3.264 -0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.261 0.111 -1.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.169 -0.859 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.962 0.803 -0.817 1.00 0.00 H new ATOM 937 N THR A 61 6.009 -8.605 -2.221 1.00 0.00 N ATOM 938 CA THR A 61 5.359 -9.923 -2.120 1.00 0.00 C ATOM 939 C THR A 61 6.417 -11.042 -2.045 1.00 0.00 C ATOM 940 O THR A 61 6.251 -12.011 -1.303 1.00 0.00 O ATOM 941 CB THR A 61 4.399 -10.167 -3.342 1.00 0.00 C ATOM 942 OG1 THR A 61 3.416 -9.116 -3.397 1.00 0.00 O ATOM 943 CG2 THR A 61 3.672 -11.529 -3.283 1.00 0.00 C ATOM 0 H THR A 61 5.770 -8.103 -3.076 1.00 0.00 H new ATOM 0 HA THR A 61 4.766 -9.939 -1.206 1.00 0.00 H new ATOM 0 HB THR A 61 5.023 -10.171 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.799 -8.333 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.026 -11.635 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.407 -12.334 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.069 -11.581 -2.376 1.00 0.00 H new ATOM 951 N GLN A 62 7.530 -10.856 -2.784 1.00 0.00 N ATOM 952 CA GLN A 62 8.659 -11.799 -2.825 1.00 0.00 C ATOM 953 C GLN A 62 9.412 -11.799 -1.478 1.00 0.00 C ATOM 954 O GLN A 62 9.825 -12.860 -1.000 1.00 0.00 O ATOM 955 CB GLN A 62 9.614 -11.440 -4.007 1.00 0.00 C ATOM 956 CG GLN A 62 10.778 -12.422 -4.245 1.00 0.00 C ATOM 957 CD GLN A 62 10.300 -13.828 -4.604 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.094 -14.146 -5.774 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.123 -14.674 -3.603 1.00 0.00 N ATOM 0 H GLN A 62 7.668 -10.036 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 62 8.275 -12.805 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.024 -11.376 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.030 -10.449 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.410 -12.042 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.396 -12.471 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.304 -14.375 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.806 -15.625 -3.789 1.00 0.00 H new ATOM 968 N GLU A 63 9.549 -10.597 -0.863 1.00 0.00 N ATOM 969 CA GLU A 63 10.161 -10.428 0.476 1.00 0.00 C ATOM 970 C GLU A 63 9.428 -11.298 1.511 1.00 0.00 C ATOM 971 O GLU A 63 10.056 -12.004 2.309 1.00 0.00 O ATOM 972 CB GLU A 63 10.105 -8.945 0.936 1.00 0.00 C ATOM 973 CG GLU A 63 10.832 -7.927 0.031 1.00 0.00 C ATOM 974 CD GLU A 63 12.340 -8.168 -0.147 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.022 -8.527 0.840 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.860 -7.948 -1.263 1.00 0.00 O ATOM 0 H GLU A 63 9.238 -9.720 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 63 11.204 -10.737 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.059 -8.649 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.531 -8.880 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.360 -7.937 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.686 -6.929 0.444 1.00 0.00 H new ATOM 983 N VAL A 64 8.088 -11.245 1.453 1.00 0.00 N ATOM 984 CA VAL A 64 7.209 -11.998 2.357 1.00 0.00 C ATOM 985 C VAL A 64 7.315 -13.517 2.085 1.00 0.00 C ATOM 986 O VAL A 64 7.418 -14.321 3.023 1.00 0.00 O ATOM 987 CB VAL A 64 5.717 -11.523 2.223 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.785 -12.314 3.174 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.598 -9.993 2.461 1.00 0.00 C ATOM 0 H VAL A 64 7.583 -10.675 0.774 1.00 0.00 H new ATOM 0 HA VAL A 64 7.538 -11.803 3.378 1.00 0.00 H new ATOM 0 HB VAL A 64 5.393 -11.729 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.761 -11.961 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.833 -13.375 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.105 -12.163 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.556 -9.689 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.953 -9.752 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.201 -9.462 1.725 1.00 0.00 H new ATOM 999 N ASN A 65 7.299 -13.882 0.782 1.00 0.00 N ATOM 1000 CA ASN A 65 7.386 -15.290 0.316 1.00 0.00 C ATOM 1001 C ASN A 65 8.718 -15.962 0.700 1.00 0.00 C ATOM 1002 O ASN A 65 8.754 -17.182 0.876 1.00 0.00 O ATOM 1003 CB ASN A 65 7.152 -15.389 -1.228 1.00 0.00 C ATOM 1004 CG ASN A 65 5.697 -15.138 -1.642 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.763 -15.424 -0.889 1.00 0.00 O ATOM 1006 ND2 ASN A 65 5.487 -14.618 -2.843 1.00 0.00 N ATOM 0 H ASN A 65 7.225 -13.208 0.020 1.00 0.00 H new ATOM 0 HA ASN A 65 6.592 -15.832 0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.795 -14.667 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.454 -16.379 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.535 -14.445 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.278 -14.391 -3.446 1.00 0.00 H new ATOM 1013 N ASP A 66 9.807 -15.176 0.824 1.00 0.00 N ATOM 1014 CA ASP A 66 11.135 -15.689 1.249 1.00 0.00 C ATOM 1015 C ASP A 66 11.287 -15.690 2.785 1.00 0.00 C ATOM 1016 O ASP A 66 12.262 -16.245 3.306 1.00 0.00 O ATOM 1017 CB ASP A 66 12.291 -14.857 0.612 1.00 0.00 C ATOM 1018 CG ASP A 66 12.449 -15.077 -0.902 1.00 0.00 C ATOM 1019 OD1 ASP A 66 12.712 -16.226 -1.316 1.00 0.00 O ATOM 1020 OD2 ASP A 66 12.340 -14.107 -1.681 1.00 0.00 O ATOM 0 H ASP A 66 9.796 -14.174 0.635 1.00 0.00 H new ATOM 0 HA ASP A 66 11.199 -16.718 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.111 -13.798 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.227 -15.114 1.107 1.00 0.00 H new ATOM 1025 N GLY A 67 10.332 -15.061 3.502 1.00 0.00 N ATOM 1026 CA GLY A 67 10.408 -14.930 4.965 1.00 0.00 C ATOM 1027 C GLY A 67 11.360 -13.823 5.424 1.00 0.00 C ATOM 1028 O GLY A 67 11.820 -13.830 6.572 1.00 0.00 O ATOM 0 H GLY A 67 9.501 -14.638 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.411 -14.728 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.733 -15.879 5.392 1.00 0.00 H new ATOM 1032 N LYS A 68 11.660 -12.882 4.512 1.00 0.00 N ATOM 1033 CA LYS A 68 12.488 -11.687 4.803 1.00 0.00 C ATOM 1034 C LYS A 68 11.620 -10.574 5.419 1.00 0.00 C ATOM 1035 O LYS A 68 12.117 -9.688 6.126 1.00 0.00 O ATOM 1036 CB LYS A 68 13.174 -11.182 3.502 1.00 0.00 C ATOM 1037 CG LYS A 68 14.052 -12.236 2.783 1.00 0.00 C ATOM 1038 CD LYS A 68 15.154 -12.835 3.696 1.00 0.00 C ATOM 1039 CE LYS A 68 16.143 -11.779 4.238 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.130 -12.372 5.171 1.00 0.00 N ATOM 0 H LYS A 68 11.336 -12.925 3.546 1.00 0.00 H new ATOM 0 HA LYS A 68 13.261 -11.961 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.404 -10.838 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.793 -10.318 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.415 -13.041 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.520 -11.777 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.682 -13.345 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.709 -13.588 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.667 -11.311 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.589 -10.991 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.775 -11.630 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.632 -12.796 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.677 -13.106 4.677 1.00 0.00 H new ATOM 1054 N ALA A 69 10.314 -10.665 5.147 1.00 0.00 N ATOM 1055 CA ALA A 69 9.314 -9.717 5.633 1.00 0.00 C ATOM 1056 C ALA A 69 8.024 -10.449 5.954 1.00 0.00 C ATOM 1057 O ALA A 69 7.794 -11.573 5.498 1.00 0.00 O ATOM 1058 CB ALA A 69 9.055 -8.629 4.588 1.00 0.00 C ATOM 0 H ALA A 69 9.919 -11.411 4.574 1.00 0.00 H new ATOM 0 HA ALA A 69 9.691 -9.243 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.308 -7.932 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.982 -8.093 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.691 -9.087 3.668 1.00 0.00 H new ATOM 1064 N THR A 70 7.201 -9.797 6.758 1.00 0.00 N ATOM 1065 CA THR A 70 5.839 -10.236 7.036 1.00 0.00 C ATOM 1066 C THR A 70 4.872 -9.433 6.153 1.00 0.00 C ATOM 1067 O THR A 70 5.230 -8.357 5.633 1.00 0.00 O ATOM 1068 CB THR A 70 5.480 -10.035 8.545 1.00 0.00 C ATOM 1069 OG1 THR A 70 5.673 -8.659 8.904 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.326 -10.929 9.470 1.00 0.00 C ATOM 0 H THR A 70 7.460 -8.938 7.243 1.00 0.00 H new ATOM 0 HA THR A 70 5.755 -11.300 6.813 1.00 0.00 H new ATOM 0 HB THR A 70 4.436 -10.320 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.602 -8.562 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.040 -10.753 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.156 -11.976 9.219 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.382 -10.691 9.340 1.00 0.00 H new ATOM 1078 N THR A 71 3.657 -9.964 5.979 1.00 0.00 N ATOM 1079 CA THR A 71 2.565 -9.230 5.325 1.00 0.00 C ATOM 1080 C THR A 71 2.244 -7.936 6.106 1.00 0.00 C ATOM 1081 O THR A 71 1.814 -6.949 5.517 1.00 0.00 O ATOM 1082 CB THR A 71 1.280 -10.099 5.215 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.912 -10.570 6.519 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.450 -11.291 4.264 1.00 0.00 C ATOM 0 H THR A 71 3.403 -10.904 6.283 1.00 0.00 H new ATOM 0 HA THR A 71 2.898 -8.977 4.318 1.00 0.00 H new ATOM 0 HB THR A 71 0.494 -9.468 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.101 -11.117 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.522 -11.862 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.693 -10.928 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.256 -11.931 4.624 1.00 0.00 H new ATOM 1092 N GLU A 72 2.471 -7.972 7.440 1.00 0.00 N ATOM 1093 CA GLU A 72 2.300 -6.808 8.328 1.00 0.00 C ATOM 1094 C GLU A 72 3.157 -5.610 7.856 1.00 0.00 C ATOM 1095 O GLU A 72 2.650 -4.492 7.743 1.00 0.00 O ATOM 1096 CB GLU A 72 2.666 -7.180 9.794 1.00 0.00 C ATOM 1097 CG GLU A 72 2.541 -6.015 10.804 1.00 0.00 C ATOM 1098 CD GLU A 72 3.005 -6.356 12.234 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.237 -6.364 12.484 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.151 -6.598 13.118 1.00 0.00 O ATOM 0 H GLU A 72 2.779 -8.813 7.928 1.00 0.00 H new ATOM 0 HA GLU A 72 1.251 -6.514 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.021 -7.997 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.690 -7.554 9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.124 -5.170 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.500 -5.693 10.840 1.00 0.00 H new ATOM 1107 N GLN A 73 4.444 -5.880 7.539 1.00 0.00 N ATOM 1108 CA GLN A 73 5.437 -4.833 7.178 1.00 0.00 C ATOM 1109 C GLN A 73 4.975 -3.985 5.976 1.00 0.00 C ATOM 1110 O GLN A 73 5.313 -2.802 5.870 1.00 0.00 O ATOM 1111 CB GLN A 73 6.818 -5.479 6.884 1.00 0.00 C ATOM 1112 CG GLN A 73 7.968 -4.464 6.644 1.00 0.00 C ATOM 1113 CD GLN A 73 9.339 -5.120 6.466 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.057 -5.363 7.438 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.720 -5.403 5.232 1.00 0.00 N ATOM 0 H GLN A 73 4.826 -6.826 7.525 1.00 0.00 H new ATOM 0 HA GLN A 73 5.529 -4.162 8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.088 -6.123 7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.726 -6.118 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.740 -3.873 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.012 -3.773 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.105 -5.191 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.629 -5.834 5.065 1.00 0.00 H new ATOM 1124 N TYR A 74 4.220 -4.606 5.066 1.00 0.00 N ATOM 1125 CA TYR A 74 3.686 -3.912 3.885 1.00 0.00 C ATOM 1126 C TYR A 74 2.179 -3.672 4.040 1.00 0.00 C ATOM 1127 O TYR A 74 1.770 -2.564 4.362 1.00 0.00 O ATOM 1128 CB TYR A 74 4.023 -4.712 2.601 1.00 0.00 C ATOM 1129 CG TYR A 74 5.530 -4.917 2.435 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.378 -3.819 2.298 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.105 -6.189 2.454 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.740 -3.978 2.194 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.468 -6.350 2.337 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.278 -5.244 2.205 1.00 0.00 C ATOM 1135 OH TYR A 74 9.636 -5.401 2.121 1.00 0.00 O ATOM 0 H TYR A 74 3.963 -5.591 5.123 1.00 0.00 H new ATOM 0 HA TYR A 74 4.159 -2.934 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.527 -5.682 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.630 -4.185 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.957 -2.825 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.473 -7.058 2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.383 -3.115 2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.900 -7.340 2.349 1.00 0.00 H new ATOM 0 HH TYR A 74 9.876 -6.315 2.380 1.00 0.00 H new ATOM 1145 N PHE A 75 1.381 -4.738 3.894 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.087 -4.680 3.711 1.00 0.00 C ATOM 1147 C PHE A 75 -0.860 -3.916 4.828 1.00 0.00 C ATOM 1148 O PHE A 75 -1.958 -3.426 4.550 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.646 -6.117 3.535 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.127 -6.858 2.290 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.108 -7.506 2.287 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.889 -6.909 1.126 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.567 -8.163 1.160 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.432 -7.565 0.000 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.791 -8.197 0.016 1.00 0.00 C ATOM 0 H PHE A 75 1.742 -5.692 3.899 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.255 -4.091 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.395 -6.701 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.734 -6.066 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.716 -7.495 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.855 -6.427 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.531 -8.649 1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.036 -7.582 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.143 -8.718 -0.862 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.325 -3.816 6.079 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.919 -2.907 7.105 1.00 0.00 C ATOM 1167 C VAL A 76 -0.814 -1.464 6.595 1.00 0.00 C ATOM 1168 O VAL A 76 0.270 -1.018 6.292 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.245 -3.011 8.524 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.828 -1.975 9.519 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.373 -4.427 9.102 1.00 0.00 C ATOM 0 H VAL A 76 0.493 -4.337 6.396 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.955 -3.215 7.242 1.00 0.00 H new ATOM 0 HB VAL A 76 0.813 -2.787 8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.335 -2.081 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.661 -0.968 9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.898 -2.146 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.103 -4.464 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.427 -4.686 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.115 -5.138 8.435 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.941 -0.750 6.558 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.102 0.476 5.759 1.00 0.00 C ATOM 1183 C LEU A 77 -1.142 1.605 6.201 1.00 0.00 C ATOM 1184 O LEU A 77 -0.666 2.364 5.359 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.574 0.944 5.814 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.656 -0.158 5.563 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.062 0.447 5.482 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.335 -1.017 4.320 1.00 0.00 C ATOM 0 H LEU A 77 -2.777 -1.005 7.084 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.837 0.237 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.757 1.388 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.711 1.734 5.075 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.634 -0.828 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.790 -0.346 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.295 0.953 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.103 1.164 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.113 -1.768 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.291 -0.378 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.374 -1.512 4.458 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.886 1.713 7.530 1.00 0.00 N ATOM 1201 CA LYS A 78 0.124 2.660 8.071 1.00 0.00 C ATOM 1202 C LYS A 78 1.550 2.293 7.586 1.00 0.00 C ATOM 1203 O LYS A 78 2.349 3.173 7.257 1.00 0.00 O ATOM 1204 CB LYS A 78 0.092 2.707 9.633 1.00 0.00 C ATOM 1205 CG LYS A 78 0.505 1.388 10.331 1.00 0.00 C ATOM 1206 CD LYS A 78 0.530 1.482 11.872 1.00 0.00 C ATOM 1207 CE LYS A 78 1.021 0.186 12.544 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.132 0.344 14.017 1.00 0.00 N ATOM 0 H LYS A 78 -1.362 1.160 8.243 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.134 3.649 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.754 3.504 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.916 2.971 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.186 0.599 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.494 1.095 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.177 2.307 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.472 1.715 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.332 -0.627 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.991 -0.093 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.465 -0.547 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.808 1.104 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.201 0.586 14.411 1.00 0.00 H new ATOM 1222 N ASN A 79 1.839 0.984 7.536 1.00 0.00 N ATOM 1223 CA ASN A 79 3.170 0.458 7.189 1.00 0.00 C ATOM 1224 C ASN A 79 3.408 0.569 5.678 1.00 0.00 C ATOM 1225 O ASN A 79 4.496 0.938 5.248 1.00 0.00 O ATOM 1226 CB ASN A 79 3.308 -1.011 7.680 1.00 0.00 C ATOM 1227 CG ASN A 79 3.213 -1.150 9.206 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.530 -0.220 9.949 1.00 0.00 O ATOM 1229 ND2 ASN A 79 2.801 -2.310 9.686 1.00 0.00 N ATOM 0 H ASN A 79 1.153 0.256 7.736 1.00 0.00 H new ATOM 0 HA ASN A 79 3.933 1.053 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.529 -1.617 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.265 -1.411 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.739 -2.452 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.545 -3.064 9.048 1.00 0.00 H new ATOM 1236 N LEU A 80 2.377 0.227 4.896 1.00 0.00 N ATOM 1237 CA LEU A 80 2.308 0.463 3.445 1.00 0.00 C ATOM 1238 C LEU A 80 2.582 1.943 3.131 1.00 0.00 C ATOM 1239 O LEU A 80 3.455 2.255 2.329 1.00 0.00 O ATOM 1240 CB LEU A 80 0.900 0.056 2.917 1.00 0.00 C ATOM 1241 CG LEU A 80 0.674 0.146 1.375 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.645 -0.778 0.599 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.804 -0.137 1.013 1.00 0.00 C ATOM 0 H LEU A 80 1.544 -0.234 5.263 1.00 0.00 H new ATOM 0 HA LEU A 80 3.067 -0.142 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.703 -0.969 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.158 0.687 3.407 1.00 0.00 H new ATOM 0 HG LEU A 80 0.898 1.167 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.457 -0.687 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.673 -0.486 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.489 -1.811 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.934 -0.068 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.075 -1.138 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.445 0.596 1.503 1.00 0.00 H new ATOM 1255 N ALA A 81 1.875 2.829 3.857 1.00 0.00 N ATOM 1256 CA ALA A 81 1.994 4.294 3.707 1.00 0.00 C ATOM 1257 C ALA A 81 3.413 4.775 4.046 1.00 0.00 C ATOM 1258 O ALA A 81 3.902 5.732 3.460 1.00 0.00 O ATOM 1259 CB ALA A 81 0.960 5.009 4.591 1.00 0.00 C ATOM 0 H ALA A 81 1.201 2.548 4.569 1.00 0.00 H new ATOM 0 HA ALA A 81 1.796 4.542 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.061 6.087 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.044 4.703 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.129 4.745 5.635 1.00 0.00 H new ATOM 1265 N ALA A 82 4.057 4.091 4.997 1.00 0.00 N ATOM 1266 CA ALA A 82 5.439 4.390 5.400 1.00 0.00 C ATOM 1267 C ALA A 82 6.425 4.013 4.274 1.00 0.00 C ATOM 1268 O ALA A 82 7.298 4.803 3.909 1.00 0.00 O ATOM 1269 CB ALA A 82 5.779 3.645 6.697 1.00 0.00 C ATOM 0 H ALA A 82 3.638 3.315 5.510 1.00 0.00 H new ATOM 0 HA ALA A 82 5.530 5.461 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.804 3.872 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.098 3.961 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.676 2.572 6.538 1.00 0.00 H new ATOM 1275 N ARG A 83 6.255 2.794 3.726 1.00 0.00 N ATOM 1276 CA ARG A 83 7.091 2.264 2.622 1.00 0.00 C ATOM 1277 C ARG A 83 6.926 3.095 1.328 1.00 0.00 C ATOM 1278 O ARG A 83 7.859 3.210 0.536 1.00 0.00 O ATOM 1279 CB ARG A 83 6.729 0.781 2.339 1.00 0.00 C ATOM 1280 CG ARG A 83 6.910 -0.183 3.528 1.00 0.00 C ATOM 1281 CD ARG A 83 8.358 -0.237 4.037 1.00 0.00 C ATOM 1282 NE ARG A 83 9.310 -0.700 2.998 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.350 -1.521 3.209 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.586 -2.028 4.412 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.164 -1.827 2.212 1.00 0.00 N ATOM 0 H ARG A 83 5.532 2.144 4.035 1.00 0.00 H new ATOM 0 HA ARG A 83 8.132 2.334 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.691 0.735 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.342 0.427 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.255 0.126 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.597 -1.184 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.655 0.753 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.412 -0.904 4.898 1.00 0.00 H new ATOM 0 HE ARG A 83 9.162 -0.367 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.973 -1.795 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.381 -2.651 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.001 -1.439 1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.955 -2.451 2.372 1.00 0.00 H new ATOM 1299 N ILE A 84 5.725 3.645 1.134 1.00 0.00 N ATOM 1300 CA ILE A 84 5.399 4.528 -0.006 1.00 0.00 C ATOM 1301 C ILE A 84 6.007 5.923 0.202 1.00 0.00 C ATOM 1302 O ILE A 84 6.517 6.531 -0.739 1.00 0.00 O ATOM 1303 CB ILE A 84 3.843 4.616 -0.194 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.288 3.221 -0.599 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.422 5.705 -1.213 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.784 3.117 -0.579 1.00 0.00 C ATOM 0 H ILE A 84 4.939 3.493 1.766 1.00 0.00 H new ATOM 0 HA ILE A 84 5.831 4.105 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 84 3.409 4.915 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.643 2.980 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.701 2.470 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.336 5.720 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.771 6.679 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.863 5.483 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.485 2.111 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.418 3.324 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.360 3.841 -1.275 1.00 0.00 H new ATOM 1318 N ASP A 85 5.918 6.424 1.449 1.00 0.00 N ATOM 1319 CA ASP A 85 6.587 7.677 1.880 1.00 0.00 C ATOM 1320 C ASP A 85 8.116 7.620 1.636 1.00 0.00 C ATOM 1321 O ASP A 85 8.735 8.625 1.283 1.00 0.00 O ATOM 1322 CB ASP A 85 6.287 7.964 3.373 1.00 0.00 C ATOM 1323 CG ASP A 85 6.842 9.318 3.854 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.151 10.352 3.675 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.968 9.361 4.401 1.00 0.00 O ATOM 0 H ASP A 85 5.381 5.974 2.190 1.00 0.00 H new ATOM 0 HA ASP A 85 6.186 8.491 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.209 7.944 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.713 7.167 3.982 1.00 0.00 H new ATOM 1330 N GLU A 86 8.690 6.422 1.840 1.00 0.00 N ATOM 1331 CA GLU A 86 10.097 6.116 1.517 1.00 0.00 C ATOM 1332 C GLU A 86 10.373 6.338 0.006 1.00 0.00 C ATOM 1333 O GLU A 86 11.372 6.956 -0.369 1.00 0.00 O ATOM 1334 CB GLU A 86 10.393 4.642 1.913 1.00 0.00 C ATOM 1335 CG GLU A 86 11.800 4.120 1.574 1.00 0.00 C ATOM 1336 CD GLU A 86 12.927 4.775 2.391 1.00 0.00 C ATOM 1337 OE1 GLU A 86 13.084 4.424 3.581 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.679 5.608 1.851 1.00 0.00 O ATOM 0 H GLU A 86 8.186 5.630 2.238 1.00 0.00 H new ATOM 0 HA GLU A 86 10.752 6.784 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.238 4.537 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.661 4.001 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.826 3.043 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.991 4.285 0.514 1.00 0.00 H new ATOM 1345 N LEU A 87 9.471 5.802 -0.842 1.00 0.00 N ATOM 1346 CA LEU A 87 9.551 5.916 -2.319 1.00 0.00 C ATOM 1347 C LEU A 87 9.410 7.384 -2.809 1.00 0.00 C ATOM 1348 O LEU A 87 10.210 7.844 -3.633 1.00 0.00 O ATOM 1349 CB LEU A 87 8.469 5.017 -2.978 1.00 0.00 C ATOM 1350 CG LEU A 87 8.520 3.505 -2.587 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.294 2.744 -3.121 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.841 2.845 -3.037 1.00 0.00 C ATOM 0 H LEU A 87 8.660 5.273 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 87 10.542 5.576 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.487 5.409 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.565 5.098 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 87 8.488 3.449 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.362 1.696 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.386 3.178 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.265 2.819 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.840 1.794 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.936 2.923 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.681 3.351 -2.561 1.00 0.00 H new ATOM 1364 N VAL A 88 8.409 8.125 -2.289 1.00 0.00 N ATOM 1365 CA VAL A 88 8.161 9.533 -2.701 1.00 0.00 C ATOM 1366 C VAL A 88 9.312 10.451 -2.227 1.00 0.00 C ATOM 1367 O VAL A 88 9.604 11.481 -2.848 1.00 0.00 O ATOM 1368 CB VAL A 88 6.755 10.085 -2.205 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.597 9.151 -2.639 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.711 10.340 -0.677 1.00 0.00 C ATOM 0 H VAL A 88 7.758 7.778 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 88 8.129 9.540 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 88 6.621 11.052 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.650 9.557 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.576 9.078 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.750 8.160 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.726 10.716 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.907 9.408 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.469 11.076 -0.409 1.00 0.00 H new ATOM 1380 N ALA A 89 9.938 10.053 -1.112 1.00 0.00 N ATOM 1381 CA ALA A 89 11.135 10.715 -0.587 1.00 0.00 C ATOM 1382 C ALA A 89 12.365 10.417 -1.476 1.00 0.00 C ATOM 1383 O ALA A 89 13.158 11.311 -1.750 1.00 0.00 O ATOM 1384 CB ALA A 89 11.382 10.266 0.858 1.00 0.00 C ATOM 0 H ALA A 89 9.627 9.261 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 89 10.975 11.793 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.273 10.760 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.523 10.532 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.526 9.186 0.884 1.00 0.00 H new ATOM 1390 N ALA A 90 12.500 9.145 -1.910 1.00 0.00 N ATOM 1391 CA ALA A 90 13.626 8.666 -2.759 1.00 0.00 C ATOM 1392 C ALA A 90 13.835 9.506 -4.037 1.00 0.00 C ATOM 1393 O ALA A 90 14.974 9.858 -4.367 1.00 0.00 O ATOM 1394 CB ALA A 90 13.417 7.192 -3.130 1.00 0.00 C ATOM 0 H ALA A 90 11.828 8.412 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 90 14.531 8.779 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.246 6.852 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.373 6.591 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.483 7.085 -3.681 1.00 0.00 H new ATOM 1400 N LYS A 91 12.734 9.802 -4.756 1.00 0.00 N ATOM 1401 CA LYS A 91 12.783 10.669 -5.961 1.00 0.00 C ATOM 1402 C LYS A 91 13.137 12.130 -5.584 1.00 0.00 C ATOM 1403 O LYS A 91 13.872 12.806 -6.310 1.00 0.00 O ATOM 1404 CB LYS A 91 11.455 10.604 -6.768 1.00 0.00 C ATOM 1405 CG LYS A 91 10.204 11.050 -5.983 1.00 0.00 C ATOM 1406 CD LYS A 91 8.932 11.114 -6.853 1.00 0.00 C ATOM 1407 CE LYS A 91 7.697 11.583 -6.066 1.00 0.00 C ATOM 1408 NZ LYS A 91 6.513 11.702 -6.945 1.00 0.00 N ATOM 0 H LYS A 91 11.801 9.457 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 91 13.575 10.287 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.553 11.230 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.305 9.581 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.037 10.360 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.388 12.032 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.103 11.791 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.736 10.128 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.486 10.878 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.905 12.546 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.661 11.416 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.412 12.688 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.633 11.085 -7.774 1.00 0.00 H new ATOM 1422 N GLY A 92 12.634 12.581 -4.416 1.00 0.00 N ATOM 1423 CA GLY A 92 12.990 13.891 -3.850 1.00 0.00 C ATOM 1424 C GLY A 92 14.411 13.950 -3.282 1.00 0.00 C ATOM 1425 O GLY A 92 14.883 15.018 -2.899 1.00 0.00 O ATOM 0 H GLY A 92 11.976 12.050 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.885 14.652 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.282 14.140 -3.060 1.00 0.00 H new ATOM 1429 N ALA A 93 15.050 12.780 -3.150 1.00 0.00 N ATOM 1430 CA ALA A 93 16.458 12.666 -2.736 1.00 0.00 C ATOM 1431 C ALA A 93 17.400 12.753 -3.957 1.00 0.00 C ATOM 1432 O ALA A 93 18.512 13.304 -3.846 1.00 0.00 O ATOM 1433 CB ALA A 93 16.673 11.353 -1.979 1.00 0.00 C ATOM 0 H ALA A 93 14.604 11.880 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 93 16.695 13.498 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.717 11.275 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.036 11.334 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.420 10.514 -2.627 1.00 0.00 H new ATOM 1439 N LEU A 94 16.946 12.169 -5.109 1.00 0.00 N ATOM 1440 CA LEU A 94 17.671 12.221 -6.411 1.00 0.00 C ATOM 1441 C LEU A 94 17.997 13.675 -6.769 1.00 0.00 C ATOM 1442 O LEU A 94 19.165 14.048 -6.895 1.00 0.00 O ATOM 1443 CB LEU A 94 16.827 11.571 -7.555 1.00 0.00 C ATOM 1444 CG LEU A 94 16.384 10.096 -7.342 1.00 0.00 C ATOM 1445 CD1 LEU A 94 15.553 9.585 -8.544 1.00 0.00 C ATOM 1446 CD2 LEU A 94 17.597 9.191 -7.048 1.00 0.00 C ATOM 0 H LEU A 94 16.069 11.651 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 94 18.596 11.654 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.933 12.177 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 94 17.406 11.623 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 94 15.736 10.058 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.257 8.551 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.663 10.203 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 94 16.154 9.641 -9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.259 8.165 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.291 9.229 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 94 18.100 9.538 -6.145 1.00 0.00 H new ATOM 1458 N GLU A 95 16.934 14.485 -6.926 1.00 0.00 N ATOM 1459 CA GLU A 95 17.055 15.944 -6.985 1.00 0.00 C ATOM 1460 C GLU A 95 17.314 16.409 -5.542 1.00 0.00 C ATOM 1461 O GLU A 95 16.453 16.251 -4.682 1.00 0.00 O ATOM 1462 CB GLU A 95 15.761 16.577 -7.597 1.00 0.00 C ATOM 1463 CG GLU A 95 15.918 17.996 -8.204 1.00 0.00 C ATOM 1464 CD GLU A 95 16.245 19.098 -7.180 1.00 0.00 C ATOM 1465 OE1 GLU A 95 15.308 19.675 -6.607 1.00 0.00 O ATOM 1466 OE2 GLU A 95 17.440 19.379 -6.929 1.00 0.00 O ATOM 0 H GLU A 95 15.976 14.145 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 95 17.872 16.263 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.387 15.911 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.998 16.619 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.707 17.970 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.995 18.260 -8.720 1.00 0.00 H new ATOM 1473 N HIS A 96 18.504 16.960 -5.308 1.00 0.00 N ATOM 1474 CA HIS A 96 19.064 17.140 -3.959 1.00 0.00 C ATOM 1475 C HIS A 96 18.225 18.108 -3.099 1.00 0.00 C ATOM 1476 O HIS A 96 18.407 19.324 -3.158 1.00 0.00 O ATOM 1477 CB HIS A 96 20.534 17.624 -4.039 1.00 0.00 C ATOM 1478 CG HIS A 96 21.425 16.770 -4.905 1.00 0.00 C ATOM 1479 ND1 HIS A 96 22.219 17.286 -5.907 1.00 0.00 N ATOM 1480 CD2 HIS A 96 21.646 15.435 -4.910 1.00 0.00 C ATOM 1481 CE1 HIS A 96 22.884 16.308 -6.488 1.00 0.00 C ATOM 1482 NE2 HIS A 96 22.552 15.173 -5.906 1.00 0.00 N ATOM 0 H HIS A 96 19.115 17.298 -6.051 1.00 0.00 H new ATOM 0 HA HIS A 96 19.035 16.166 -3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 96 20.547 18.645 -4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.949 17.655 -3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.193 14.709 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 96 23.583 16.418 -7.304 1.00 0.00 H new ATOM 0 HE2 HIS A 96 22.910 14.251 -6.155 1.00 0.00 H new ATOM 1491 N HIS A 97 17.278 17.534 -2.331 1.00 0.00 N ATOM 1492 CA HIS A 97 16.463 18.272 -1.333 1.00 0.00 C ATOM 1493 C HIS A 97 16.958 17.987 0.099 1.00 0.00 C ATOM 1494 O HIS A 97 16.201 18.109 1.067 1.00 0.00 O ATOM 1495 CB HIS A 97 14.951 17.926 -1.476 1.00 0.00 C ATOM 1496 CG HIS A 97 14.278 18.567 -2.662 1.00 0.00 C ATOM 1497 ND1 HIS A 97 13.763 19.846 -2.625 1.00 0.00 N ATOM 1498 CD2 HIS A 97 14.036 18.109 -3.908 1.00 0.00 C ATOM 1499 CE1 HIS A 97 13.235 20.139 -3.793 1.00 0.00 C ATOM 1500 NE2 HIS A 97 13.390 19.104 -4.594 1.00 0.00 N ATOM 0 H HIS A 97 17.052 16.541 -2.382 1.00 0.00 H new ATOM 0 HA HIS A 97 16.582 19.338 -1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 97 14.844 16.844 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.432 18.234 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.303 17.136 -4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.755 21.071 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.080 19.052 -5.564 1.00 0.00 H new ATOM 1509 N HIS A 98 18.242 17.630 0.223 1.00 0.00 N ATOM 1510 CA HIS A 98 18.915 17.460 1.528 1.00 0.00 C ATOM 1511 C HIS A 98 19.609 18.780 1.891 1.00 0.00 C ATOM 1512 O HIS A 98 20.030 19.515 0.994 1.00 0.00 O ATOM 1513 CB HIS A 98 19.916 16.281 1.481 1.00 0.00 C ATOM 1514 CG HIS A 98 19.268 14.955 1.179 1.00 0.00 C ATOM 1515 ND1 HIS A 98 19.906 13.949 0.499 1.00 0.00 N ATOM 1516 CD2 HIS A 98 18.036 14.474 1.480 1.00 0.00 C ATOM 1517 CE1 HIS A 98 19.105 12.915 0.389 1.00 0.00 C ATOM 1518 NE2 HIS A 98 17.964 13.205 0.976 1.00 0.00 N ATOM 0 H HIS A 98 18.849 17.449 -0.576 1.00 0.00 H new ATOM 0 HA HIS A 98 18.183 17.218 2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 98 20.673 16.487 0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 98 20.432 16.215 2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 98 17.258 14.996 2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 98 19.343 11.983 -0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 98 17.157 12.585 1.044 1.00 0.00 H new ATOM 1527 N HIS A 99 19.717 19.067 3.193 1.00 0.00 N ATOM 1528 CA HIS A 99 20.152 20.385 3.704 1.00 0.00 C ATOM 1529 C HIS A 99 21.648 20.642 3.428 1.00 0.00 C ATOM 1530 O HIS A 99 22.514 20.286 4.235 1.00 0.00 O ATOM 1531 CB HIS A 99 19.842 20.486 5.216 1.00 0.00 C ATOM 1532 CG HIS A 99 20.079 21.855 5.801 1.00 0.00 C ATOM 1533 ND1 HIS A 99 21.297 22.266 6.301 1.00 0.00 N ATOM 1534 CD2 HIS A 99 19.248 22.911 5.944 1.00 0.00 C ATOM 1535 CE1 HIS A 99 21.199 23.509 6.718 1.00 0.00 C ATOM 1536 NE2 HIS A 99 19.965 23.923 6.511 1.00 0.00 N ATOM 0 H HIS A 99 19.506 18.394 3.930 1.00 0.00 H new ATOM 0 HA HIS A 99 19.595 21.157 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.802 20.206 5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 99 20.456 19.762 5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.206 22.947 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 99 21.995 24.092 7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 99 19.605 24.850 6.738 1.00 0.00 H new ATOM 1545 N HIS A 100 21.933 21.198 2.239 1.00 0.00 N ATOM 1546 CA HIS A 100 23.275 21.699 1.861 1.00 0.00 C ATOM 1547 C HIS A 100 23.325 23.230 2.020 1.00 0.00 C ATOM 1548 O HIS A 100 24.378 23.799 2.308 1.00 0.00 O ATOM 1549 CB HIS A 100 23.615 21.296 0.404 1.00 0.00 C ATOM 1550 CG HIS A 100 23.889 19.832 0.226 1.00 0.00 C ATOM 1551 ND1 HIS A 100 25.163 19.318 0.200 1.00 0.00 N ATOM 1552 CD2 HIS A 100 23.056 18.777 0.074 1.00 0.00 C ATOM 1553 CE1 HIS A 100 25.105 18.015 0.043 1.00 0.00 C ATOM 1554 NE2 HIS A 100 23.835 17.655 -0.032 1.00 0.00 N ATOM 0 H HIS A 100 21.236 21.316 1.503 1.00 0.00 H new ATOM 0 HA HIS A 100 24.017 21.250 2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 100 22.787 21.582 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 100 24.487 21.861 0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 100 21.977 18.813 0.042 1.00 0.00 H new ATOM 0 HE1 HIS A 100 25.953 17.349 -0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 100 23.492 16.701 -0.149 1.00 0.00 H new ATOM 1563 N HIS A 101 22.161 23.876 1.821 1.00 0.00 N ATOM 1564 CA HIS A 101 21.974 25.330 1.990 1.00 0.00 C ATOM 1565 C HIS A 101 20.592 25.580 2.668 1.00 0.00 C ATOM 1566 O HIS A 101 20.502 25.402 3.899 1.00 0.00 O ATOM 1567 CB HIS A 101 22.160 26.074 0.619 1.00 0.00 C ATOM 1568 CG HIS A 101 21.342 25.539 -0.543 1.00 0.00 C ATOM 1569 ND1 HIS A 101 21.721 24.435 -1.272 1.00 0.00 N ATOM 1570 CD2 HIS A 101 20.174 25.960 -1.094 1.00 0.00 C ATOM 1571 CE1 HIS A 101 20.827 24.202 -2.214 1.00 0.00 C ATOM 1572 NE2 HIS A 101 19.879 25.114 -2.127 1.00 0.00 N ATOM 1573 OXT HIS A 101 19.597 25.908 1.990 1.00 0.00 O ATOM 0 H HIS A 101 21.309 23.394 1.533 1.00 0.00 H new ATOM 0 HA HIS A 101 22.737 25.748 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 101 21.909 27.125 0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 101 23.214 26.032 0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 101 19.586 26.808 -0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 101 20.865 23.399 -2.935 1.00 0.00 H new ATOM 0 HE2 HIS A 101 19.060 25.178 -2.731 1.00 0.00 H new TER 1582 HIS A 101