USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 867 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 85 LYS NZ :NH3+ -164:sc=-0.000116 (180deg=0) USER MOD Set 1.2: A 111 HIS : no HD1:sc=-0.000579 X(o=-0.0007,f=-0.14) USER MOD Set 2.1: A 32 ASN : amide:sc= -2.98 X(o=-5.3,f=-5.7) USER MOD Set 2.2: A 41 GLN : amide:sc= -2.34 K(o=-5.3,f=-4.2) USER MOD Set 2.3: A 64 THR OG1 : rot 180:sc= 0.00224 USER MOD Set 3.1: A 2 SER OG : rot 92:sc= -0.243 USER MOD Set 3.2: A 5 THR OG1 : rot -59:sc= 1.42 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0313 (180deg=-0.273) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0647 X(o=-0.065,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.765 (180deg=-0.827) USER MOD Single : A 53 GLN : amide:sc= -2.22 K(o=-2.2,f=-3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -78:sc= -1.97! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 71:sc= 0.66 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.569 K(o=-0.57,f=-3.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.23) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0521 X(o=-0.052,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.956 -0.728 1.336 1.00 0.00 N ATOM 2 CA MET A 1 1.598 -0.921 0.041 1.00 0.00 C ATOM 3 C MET A 1 2.458 0.285 -0.324 1.00 0.00 C ATOM 4 O MET A 1 3.436 0.162 -1.060 1.00 0.00 O ATOM 5 CB MET A 1 0.546 -1.158 -1.044 1.00 0.00 C ATOM 6 CG MET A 1 1.069 -1.940 -2.238 1.00 0.00 C ATOM 7 SD MET A 1 0.019 -3.342 -2.664 1.00 0.00 S ATOM 8 CE MET A 1 0.004 -3.223 -4.451 1.00 0.00 C ATOM 0 H1 MET A 1 0.575 -1.635 1.673 1.00 0.00 H new ATOM 0 H2 MET A 1 1.653 -0.370 2.019 1.00 0.00 H new ATOM 0 H3 MET A 1 0.181 -0.041 1.240 1.00 0.00 H new ATOM 0 HA MET A 1 2.242 -1.798 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.297 -1.695 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.168 -0.195 -1.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.146 -1.274 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.075 -2.298 -2.021 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.607 -4.026 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.412 -2.261 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.022 -3.310 -4.830 1.00 0.00 H new ATOM 18 N SER A 2 2.086 1.451 0.196 1.00 0.00 N ATOM 19 CA SER A 2 2.822 2.680 -0.078 1.00 0.00 C ATOM 20 C SER A 2 2.206 3.859 0.668 1.00 0.00 C ATOM 21 O SER A 2 1.088 4.281 0.372 1.00 0.00 O ATOM 22 CB SER A 2 2.838 2.964 -1.581 1.00 0.00 C ATOM 23 OG SER A 2 1.847 2.207 -2.254 1.00 0.00 O ATOM 0 H SER A 2 1.280 1.570 0.809 1.00 0.00 H new ATOM 0 HA SER A 2 3.846 2.548 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.669 4.027 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.821 2.727 -1.989 1.00 0.00 H new ATOM 0 HG SER A 2 1.019 2.728 -2.309 1.00 0.00 H new ATOM 29 N VAL A 3 2.945 4.388 1.639 1.00 0.00 N ATOM 30 CA VAL A 3 2.473 5.520 2.428 1.00 0.00 C ATOM 31 C VAL A 3 2.384 6.783 1.578 1.00 0.00 C ATOM 32 O VAL A 3 1.534 7.641 1.814 1.00 0.00 O ATOM 33 CB VAL A 3 3.397 5.788 3.631 1.00 0.00 C ATOM 34 CG1 VAL A 3 4.837 5.959 3.172 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.925 7.013 4.401 1.00 0.00 C ATOM 0 H VAL A 3 3.872 4.051 1.898 1.00 0.00 H new ATOM 0 HA VAL A 3 1.479 5.260 2.793 1.00 0.00 H new ATOM 0 HB VAL A 3 3.354 4.928 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.474 6.147 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.168 5.051 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.902 6.801 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.589 7.188 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.937 7.883 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.911 6.846 4.763 1.00 0.00 H new ATOM 45 N GLU A 4 3.266 6.888 0.590 1.00 0.00 N ATOM 46 CA GLU A 4 3.285 8.047 -0.295 1.00 0.00 C ATOM 47 C GLU A 4 2.013 8.112 -1.135 1.00 0.00 C ATOM 48 O GLU A 4 1.469 9.190 -1.377 1.00 0.00 O ATOM 49 CB GLU A 4 4.512 7.998 -1.209 1.00 0.00 C ATOM 50 CG GLU A 4 5.817 7.774 -0.465 1.00 0.00 C ATOM 51 CD GLU A 4 6.438 6.425 -0.769 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.062 6.288 -1.843 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.301 5.506 0.065 1.00 0.00 O ATOM 0 H GLU A 4 3.976 6.186 0.382 1.00 0.00 H new ATOM 0 HA GLU A 4 3.337 8.943 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.379 7.200 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.577 8.933 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.522 8.562 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.638 7.854 0.607 1.00 0.00 H new ATOM 60 N THR A 5 1.545 6.950 -1.579 1.00 0.00 N ATOM 61 CA THR A 5 0.338 6.873 -2.394 1.00 0.00 C ATOM 62 C THR A 5 -0.895 7.262 -1.587 1.00 0.00 C ATOM 63 O THR A 5 -1.972 7.475 -2.146 1.00 0.00 O ATOM 64 CB THR A 5 0.138 5.458 -2.969 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.104 4.528 -1.907 1.00 0.00 O ATOM 66 CG2 THR A 5 1.357 5.020 -3.766 1.00 0.00 C ATOM 0 H THR A 5 1.983 6.049 -1.388 1.00 0.00 H new ATOM 0 HA THR A 5 0.466 7.576 -3.217 1.00 0.00 H new ATOM 0 HB THR A 5 -0.723 5.479 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.657 4.532 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.192 4.018 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.521 5.714 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.233 5.014 -3.117 1.00 0.00 H new ATOM 74 N ILE A 6 -0.732 7.352 -0.272 1.00 0.00 N ATOM 75 CA ILE A 6 -1.833 7.717 0.611 1.00 0.00 C ATOM 76 C ILE A 6 -1.991 9.231 0.696 1.00 0.00 C ATOM 77 O ILE A 6 -3.066 9.769 0.427 1.00 0.00 O ATOM 78 CB ILE A 6 -1.628 7.153 2.029 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.941 5.787 1.964 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.961 7.047 2.755 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.665 4.787 1.090 1.00 0.00 C ATOM 0 H ILE A 6 0.152 7.177 0.206 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.737 7.283 0.184 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.986 7.836 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.074 5.917 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.858 5.383 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.799 6.647 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.415 8.035 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.625 6.383 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.121 3.842 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.671 4.627 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.725 5.170 0.071 1.00 0.00 H new ATOM 93 N ILE A 7 -0.914 9.912 1.070 1.00 0.00 N ATOM 94 CA ILE A 7 -0.932 11.365 1.187 1.00 0.00 C ATOM 95 C ILE A 7 -1.399 12.016 -0.110 1.00 0.00 C ATOM 96 O ILE A 7 -2.196 12.953 -0.094 1.00 0.00 O ATOM 97 CB ILE A 7 0.458 11.918 1.555 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.840 11.494 2.974 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.476 13.434 1.426 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.140 11.959 4.029 1.00 0.00 C ATOM 0 H ILE A 7 -0.018 9.481 1.297 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.633 11.608 1.985 1.00 0.00 H new ATOM 0 HB ILE A 7 1.192 11.505 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.914 10.407 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.828 11.889 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.465 13.810 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.243 13.715 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.267 13.865 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.195 11.622 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.196 13.047 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.125 11.543 3.819 1.00 0.00 H new ATOM 112 N GLU A 8 -0.897 11.510 -1.233 1.00 0.00 N ATOM 113 CA GLU A 8 -1.264 12.043 -2.540 1.00 0.00 C ATOM 114 C GLU A 8 -2.777 12.212 -2.654 1.00 0.00 C ATOM 115 O GLU A 8 -3.264 13.243 -3.117 1.00 0.00 O ATOM 116 CB GLU A 8 -0.758 11.120 -3.651 1.00 0.00 C ATOM 117 CG GLU A 8 -0.154 11.863 -4.831 1.00 0.00 C ATOM 118 CD GLU A 8 -1.077 12.932 -5.382 1.00 0.00 C ATOM 119 OE1 GLU A 8 -2.267 12.627 -5.611 1.00 0.00 O ATOM 120 OE2 GLU A 8 -0.611 14.073 -5.585 1.00 0.00 O ATOM 0 H GLU A 8 -0.236 10.733 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.797 13.022 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.010 10.443 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.585 10.504 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.785 12.323 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.083 11.151 -5.621 1.00 0.00 H new ATOM 127 N ARG A 9 -3.514 11.191 -2.228 1.00 0.00 N ATOM 128 CA ARG A 9 -4.970 11.225 -2.283 1.00 0.00 C ATOM 129 C ARG A 9 -5.530 12.216 -1.267 1.00 0.00 C ATOM 130 O ARG A 9 -6.564 12.842 -1.500 1.00 0.00 O ATOM 131 CB ARG A 9 -5.544 9.831 -2.022 1.00 0.00 C ATOM 132 CG ARG A 9 -6.470 9.338 -3.122 1.00 0.00 C ATOM 133 CD ARG A 9 -6.141 7.911 -3.530 1.00 0.00 C ATOM 134 NE ARG A 9 -5.523 7.848 -4.852 1.00 0.00 N ATOM 135 CZ ARG A 9 -6.182 8.075 -5.982 1.00 0.00 C ATOM 136 NH1 ARG A 9 -7.472 8.378 -5.952 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.549 7.999 -7.147 1.00 0.00 N ATOM 0 H ARG A 9 -3.126 10.330 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.263 11.550 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.722 9.125 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.089 9.843 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.503 9.390 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.388 9.993 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.469 7.470 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.053 7.314 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.531 7.617 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.961 8.437 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.975 8.552 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.556 7.766 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.056 8.173 -8.015 1.00 0.00 H new ATOM 151 N ILE A 10 -4.840 12.352 -0.139 1.00 0.00 N ATOM 152 CA ILE A 10 -5.268 13.267 0.912 1.00 0.00 C ATOM 153 C ILE A 10 -5.119 14.719 0.471 1.00 0.00 C ATOM 154 O ILE A 10 -6.084 15.484 0.479 1.00 0.00 O ATOM 155 CB ILE A 10 -4.464 13.051 2.208 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.802 11.691 2.822 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.745 14.171 3.198 1.00 0.00 C ATOM 158 CD1 ILE A 10 -3.681 11.109 3.655 1.00 0.00 C ATOM 0 H ILE A 10 -3.983 11.840 0.070 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.319 13.055 1.106 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.401 13.065 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.691 11.793 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.051 10.992 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.170 14.004 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.459 15.126 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.808 14.186 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.990 10.145 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.797 10.975 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.447 11.788 4.475 1.00 0.00 H new ATOM 170 N LYS A 11 -3.904 15.093 0.084 1.00 0.00 N ATOM 171 CA LYS A 11 -3.628 16.453 -0.364 1.00 0.00 C ATOM 172 C LYS A 11 -4.432 16.787 -1.617 1.00 0.00 C ATOM 173 O LYS A 11 -5.081 17.830 -1.689 1.00 0.00 O ATOM 174 CB LYS A 11 -2.133 16.626 -0.643 1.00 0.00 C ATOM 175 CG LYS A 11 -1.241 16.038 0.436 1.00 0.00 C ATOM 176 CD LYS A 11 0.224 16.347 0.178 1.00 0.00 C ATOM 177 CE LYS A 11 0.468 17.845 0.072 1.00 0.00 C ATOM 178 NZ LYS A 11 0.734 18.266 -1.331 1.00 0.00 N ATOM 0 H LYS A 11 -3.094 14.473 0.072 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.925 17.138 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.893 16.156 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.912 17.688 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.532 16.437 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.384 14.958 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.831 15.935 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.543 15.859 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.400 18.382 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.315 18.120 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.895 19.293 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.577 17.773 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.084 18.027 -1.926 1.00 0.00 H new ATOM 192 N ALA A 12 -4.385 15.894 -2.600 1.00 0.00 N ATOM 193 CA ALA A 12 -5.111 16.093 -3.848 1.00 0.00 C ATOM 194 C ALA A 12 -6.579 16.411 -3.584 1.00 0.00 C ATOM 195 O ALA A 12 -7.204 17.167 -4.329 1.00 0.00 O ATOM 196 CB ALA A 12 -4.987 14.862 -4.733 1.00 0.00 C ATOM 0 H ALA A 12 -3.852 15.026 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.669 16.945 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.534 15.025 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.936 14.680 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.402 13.998 -4.214 1.00 0.00 H new ATOM 202 N ARG A 13 -7.124 15.830 -2.520 1.00 0.00 N ATOM 203 CA ARG A 13 -8.519 16.050 -2.160 1.00 0.00 C ATOM 204 C ARG A 13 -8.689 17.380 -1.432 1.00 0.00 C ATOM 205 O ARG A 13 -9.577 18.168 -1.756 1.00 0.00 O ATOM 206 CB ARG A 13 -9.027 14.907 -1.279 1.00 0.00 C ATOM 207 CG ARG A 13 -9.298 13.622 -2.046 1.00 0.00 C ATOM 208 CD ARG A 13 -10.583 13.717 -2.854 1.00 0.00 C ATOM 209 NE ARG A 13 -11.760 13.844 -1.999 1.00 0.00 N ATOM 210 CZ ARG A 13 -13.006 13.837 -2.458 1.00 0.00 C ATOM 211 NH1 ARG A 13 -13.237 13.709 -3.757 1.00 0.00 N ATOM 212 NH2 ARG A 13 -14.025 13.958 -1.617 1.00 0.00 N ATOM 0 H ARG A 13 -6.620 15.203 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.105 16.080 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.293 14.707 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.943 15.223 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.462 13.412 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.366 12.788 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.527 14.575 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.684 12.830 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.617 13.944 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.457 13.616 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.195 13.704 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.852 14.057 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.982 13.953 -1.971 1.00 0.00 H new ATOM 226 N VAL A 14 -7.831 17.624 -0.446 1.00 0.00 N ATOM 227 CA VAL A 14 -7.886 18.858 0.328 1.00 0.00 C ATOM 228 C VAL A 14 -7.954 20.077 -0.586 1.00 0.00 C ATOM 229 O VAL A 14 -8.719 21.008 -0.340 1.00 0.00 O ATOM 230 CB VAL A 14 -6.663 18.994 1.255 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.817 20.201 2.168 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.467 17.722 2.067 1.00 0.00 C ATOM 0 H VAL A 14 -7.089 16.983 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.790 18.811 0.935 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.776 19.145 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.944 20.281 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.906 21.105 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.712 20.083 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.599 17.835 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.353 17.538 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.308 16.881 1.393 1.00 0.00 H new ATOM 242 N GLY A 15 -7.148 20.063 -1.643 1.00 0.00 N ATOM 243 CA GLY A 15 -7.133 21.172 -2.579 1.00 0.00 C ATOM 244 C GLY A 15 -8.490 21.421 -3.205 1.00 0.00 C ATOM 245 O GLY A 15 -8.795 22.540 -3.619 1.00 0.00 O ATOM 0 H GLY A 15 -6.505 19.304 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.803 22.074 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.405 20.970 -3.365 1.00 0.00 H new ATOM 249 N ALA A 16 -9.308 20.376 -3.277 1.00 0.00 N ATOM 250 CA ALA A 16 -10.640 20.487 -3.857 1.00 0.00 C ATOM 251 C ALA A 16 -11.701 20.636 -2.772 1.00 0.00 C ATOM 252 O ALA A 16 -12.724 21.289 -2.976 1.00 0.00 O ATOM 253 CB ALA A 16 -10.940 19.275 -4.727 1.00 0.00 C ATOM 0 H ALA A 16 -9.071 19.443 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.665 21.382 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.938 19.372 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.206 19.213 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.891 18.371 -4.121 1.00 0.00 H new ATOM 259 N VAL A 17 -11.451 20.025 -1.618 1.00 0.00 N ATOM 260 CA VAL A 17 -12.384 20.091 -0.500 1.00 0.00 C ATOM 261 C VAL A 17 -12.735 21.535 -0.161 1.00 0.00 C ATOM 262 O VAL A 17 -11.895 22.429 -0.264 1.00 0.00 O ATOM 263 CB VAL A 17 -11.808 19.406 0.753 1.00 0.00 C ATOM 264 CG1 VAL A 17 -12.809 19.456 1.897 1.00 0.00 C ATOM 265 CG2 VAL A 17 -11.413 17.970 0.442 1.00 0.00 C ATOM 0 H VAL A 17 -10.610 19.479 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.287 19.564 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.913 19.946 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.384 18.967 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.037 20.495 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.724 18.942 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.008 17.502 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.290 17.416 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.658 17.962 -0.344 1.00 0.00 H new ATOM 275 N ASP A 18 -13.981 21.756 0.245 1.00 0.00 N ATOM 276 CA ASP A 18 -14.443 23.092 0.601 1.00 0.00 C ATOM 277 C ASP A 18 -14.532 23.250 2.116 1.00 0.00 C ATOM 278 O ASP A 18 -14.867 22.315 2.843 1.00 0.00 O ATOM 279 CB ASP A 18 -15.806 23.369 -0.034 1.00 0.00 C ATOM 280 CG ASP A 18 -15.756 24.502 -1.041 1.00 0.00 C ATOM 281 OD1 ASP A 18 -14.906 24.447 -1.955 1.00 0.00 O ATOM 282 OD2 ASP A 18 -16.567 25.443 -0.916 1.00 0.00 O ATOM 0 H ASP A 18 -14.689 21.027 0.336 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.720 23.814 0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.165 22.465 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -16.525 23.613 0.748 1.00 0.00 H new ATOM 287 N PRO A 19 -14.225 24.461 2.604 1.00 0.00 N ATOM 288 CA PRO A 19 -14.262 24.770 4.037 1.00 0.00 C ATOM 289 C PRO A 19 -15.684 24.801 4.586 1.00 0.00 C ATOM 290 O PRO A 19 -15.937 24.361 5.706 1.00 0.00 O ATOM 291 CB PRO A 19 -13.627 26.160 4.116 1.00 0.00 C ATOM 292 CG PRO A 19 -13.863 26.762 2.774 1.00 0.00 C ATOM 293 CD PRO A 19 -13.817 25.622 1.795 1.00 0.00 C ATOM 0 HA PRO A 19 -13.745 24.016 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.083 26.759 4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.562 26.096 4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.827 27.269 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.102 27.507 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.494 25.785 0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.819 25.490 1.378 1.00 0.00 H new ATOM 301 N ASN A 20 -16.610 25.325 3.789 1.00 0.00 N ATOM 302 CA ASN A 20 -18.008 25.414 4.196 1.00 0.00 C ATOM 303 C ASN A 20 -18.667 24.039 4.181 1.00 0.00 C ATOM 304 O ASN A 20 -19.762 23.858 4.713 1.00 0.00 O ATOM 305 CB ASN A 20 -18.770 26.368 3.273 1.00 0.00 C ATOM 306 CG ASN A 20 -18.920 27.753 3.870 1.00 0.00 C ATOM 307 OD1 ASN A 20 -20.011 28.150 4.280 1.00 0.00 O ATOM 308 ND2 ASN A 20 -17.822 28.498 3.921 1.00 0.00 N ATOM 0 H ASN A 20 -16.418 25.694 2.858 1.00 0.00 H new ATOM 0 HA ASN A 20 -18.040 25.802 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.247 26.441 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.757 25.956 3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.862 29.439 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.938 28.129 3.570 1.00 0.00 H new ATOM 315 N GLY A 21 -17.992 23.071 3.568 1.00 0.00 N ATOM 316 CA GLY A 21 -18.528 21.724 3.495 1.00 0.00 C ATOM 317 C GLY A 21 -19.082 21.248 4.824 1.00 0.00 C ATOM 318 O GLY A 21 -18.760 21.787 5.883 1.00 0.00 O ATOM 0 H GLY A 21 -17.084 23.196 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.316 21.690 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.744 21.042 3.166 1.00 0.00 H new ATOM 322 N PRO A 22 -19.936 20.216 4.777 1.00 0.00 N ATOM 323 CA PRO A 22 -20.556 19.646 5.977 1.00 0.00 C ATOM 324 C PRO A 22 -19.551 18.901 6.850 1.00 0.00 C ATOM 325 O PRO A 22 -19.540 17.671 6.888 1.00 0.00 O ATOM 326 CB PRO A 22 -21.596 18.675 5.413 1.00 0.00 C ATOM 327 CG PRO A 22 -21.079 18.307 4.065 1.00 0.00 C ATOM 328 CD PRO A 22 -20.364 19.525 3.549 1.00 0.00 C ATOM 0 HA PRO A 22 -20.978 20.416 6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.703 17.796 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -22.579 19.142 5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.403 17.454 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.893 18.021 3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.514 19.256 2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.021 20.150 2.944 1.00 0.00 H new ATOM 336 N ARG A 23 -18.709 19.655 7.549 1.00 0.00 N ATOM 337 CA ARG A 23 -17.700 19.065 8.421 1.00 0.00 C ATOM 338 C ARG A 23 -17.413 19.974 9.613 1.00 0.00 C ATOM 339 O ARG A 23 -16.577 20.874 9.535 1.00 0.00 O ATOM 340 CB ARG A 23 -16.409 18.807 7.641 1.00 0.00 C ATOM 341 CG ARG A 23 -16.534 17.702 6.605 1.00 0.00 C ATOM 342 CD ARG A 23 -15.330 16.775 6.632 1.00 0.00 C ATOM 343 NE ARG A 23 -14.670 16.696 5.331 1.00 0.00 N ATOM 344 CZ ARG A 23 -13.564 15.994 5.109 1.00 0.00 C ATOM 345 NH1 ARG A 23 -12.998 15.313 6.096 1.00 0.00 N ATOM 346 NH2 ARG A 23 -13.023 15.972 3.898 1.00 0.00 N ATOM 0 H ARG A 23 -18.705 20.675 7.529 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.087 18.117 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.105 19.728 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.616 18.548 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.441 17.127 6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.634 18.142 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.618 17.127 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.647 15.778 6.939 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.081 17.208 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.412 15.327 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.149 14.775 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.456 16.494 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.174 15.433 3.728 1.00 0.00 H new ATOM 360 N LYS A 24 -18.114 19.733 10.716 1.00 0.00 N ATOM 361 CA LYS A 24 -17.935 20.527 11.925 1.00 0.00 C ATOM 362 C LYS A 24 -16.602 20.209 12.594 1.00 0.00 C ATOM 363 O LYS A 24 -16.533 19.382 13.503 1.00 0.00 O ATOM 364 CB LYS A 24 -19.083 20.268 12.904 1.00 0.00 C ATOM 365 CG LYS A 24 -19.319 21.409 13.879 1.00 0.00 C ATOM 366 CD LYS A 24 -20.656 22.086 13.632 1.00 0.00 C ATOM 367 CE LYS A 24 -20.825 23.322 14.502 1.00 0.00 C ATOM 368 NZ LYS A 24 -21.283 24.499 13.713 1.00 0.00 N ATOM 0 H LYS A 24 -18.812 18.993 10.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.937 21.579 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.998 20.089 12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.872 19.358 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.286 21.029 14.900 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.517 22.141 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -20.735 22.366 12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -21.464 21.383 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.545 23.113 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.877 23.557 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.386 25.320 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.584 24.715 12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -22.200 24.285 13.271 1.00 0.00 H new ATOM 382 N VAL A 25 -15.543 20.872 12.138 1.00 0.00 N ATOM 383 CA VAL A 25 -14.212 20.662 12.693 1.00 0.00 C ATOM 384 C VAL A 25 -13.341 21.901 12.517 1.00 0.00 C ATOM 385 O VAL A 25 -13.663 22.794 11.732 1.00 0.00 O ATOM 386 CB VAL A 25 -13.512 19.458 12.034 1.00 0.00 C ATOM 387 CG1 VAL A 25 -14.369 18.208 12.161 1.00 0.00 C ATOM 388 CG2 VAL A 25 -13.202 19.757 10.575 1.00 0.00 C ATOM 0 H VAL A 25 -15.582 21.559 11.385 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.341 20.460 13.756 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.570 19.277 12.552 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.859 17.368 11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.536 17.987 13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.328 18.373 11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.708 18.896 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.129 19.964 10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.546 20.626 10.513 1.00 0.00 H new ATOM 398 N LEU A 26 -12.236 21.949 13.253 1.00 0.00 N ATOM 399 CA LEU A 26 -11.316 23.079 13.178 1.00 0.00 C ATOM 400 C LEU A 26 -10.078 22.832 14.034 1.00 0.00 C ATOM 401 O LEU A 26 -10.160 22.780 15.261 1.00 0.00 O ATOM 402 CB LEU A 26 -12.016 24.362 13.631 1.00 0.00 C ATOM 403 CG LEU A 26 -12.557 24.362 15.061 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.926 25.484 15.871 1.00 0.00 C ATOM 405 CD2 LEU A 26 -14.073 24.492 15.057 1.00 0.00 C ATOM 0 H LEU A 26 -11.955 21.219 13.908 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.001 23.191 12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.315 25.190 13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.844 24.560 12.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.295 23.413 15.528 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.323 25.468 16.886 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.845 25.347 15.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.157 26.443 15.406 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.441 24.490 16.083 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.357 25.426 14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.509 23.653 14.514 1.00 0.00 H new ATOM 417 N GLY A 27 -8.932 22.681 13.379 1.00 0.00 N ATOM 418 CA GLY A 27 -7.693 22.443 14.096 1.00 0.00 C ATOM 419 C GLY A 27 -6.730 21.570 13.316 1.00 0.00 C ATOM 420 O GLY A 27 -6.956 21.280 12.141 1.00 0.00 O ATOM 0 H GLY A 27 -8.839 22.719 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.216 23.398 14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.915 21.969 15.052 1.00 0.00 H new ATOM 424 N VAL A 28 -5.651 21.150 13.970 1.00 0.00 N ATOM 425 CA VAL A 28 -4.650 20.305 13.331 1.00 0.00 C ATOM 426 C VAL A 28 -4.699 18.884 13.879 1.00 0.00 C ATOM 427 O VAL A 28 -5.033 18.668 15.044 1.00 0.00 O ATOM 428 CB VAL A 28 -3.231 20.871 13.527 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.253 20.204 12.570 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.228 22.380 13.338 1.00 0.00 C ATOM 0 H VAL A 28 -5.448 21.382 14.942 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.883 20.288 12.266 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.910 20.655 14.546 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.256 20.617 12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.234 19.131 12.758 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.568 20.387 11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.217 22.762 13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.569 22.621 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.896 22.839 14.067 1.00 0.00 H new ATOM 440 N PHE A 29 -4.364 17.917 13.032 1.00 0.00 N ATOM 441 CA PHE A 29 -4.370 16.514 13.431 1.00 0.00 C ATOM 442 C PHE A 29 -3.031 15.854 13.118 1.00 0.00 C ATOM 443 O PHE A 29 -2.351 16.228 12.163 1.00 0.00 O ATOM 444 CB PHE A 29 -5.499 15.765 12.720 1.00 0.00 C ATOM 445 CG PHE A 29 -6.742 15.624 13.553 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.339 14.386 13.725 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.312 16.730 14.162 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.483 14.253 14.491 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.455 16.603 14.929 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.042 15.363 15.093 1.00 0.00 C ATOM 0 H PHE A 29 -4.085 18.079 12.064 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.534 16.469 14.508 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.747 16.289 11.797 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.145 14.773 12.438 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.906 13.515 13.256 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.858 17.702 14.036 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.939 13.282 14.618 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.889 17.473 15.400 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.936 15.262 15.691 1.00 0.00 H new ATOM 460 N GLN A 30 -2.659 14.870 13.931 1.00 0.00 N ATOM 461 CA GLN A 30 -1.400 14.158 13.742 1.00 0.00 C ATOM 462 C GLN A 30 -1.647 12.676 13.478 1.00 0.00 C ATOM 463 O GLN A 30 -1.937 11.911 14.399 1.00 0.00 O ATOM 464 CB GLN A 30 -0.505 14.327 14.970 1.00 0.00 C ATOM 465 CG GLN A 30 0.948 13.958 14.719 1.00 0.00 C ATOM 466 CD GLN A 30 1.493 14.568 13.442 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.216 15.725 13.126 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.274 13.791 12.701 1.00 0.00 N ATOM 0 H GLN A 30 -3.211 14.548 14.726 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.897 14.584 12.874 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.555 15.363 15.306 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.893 13.710 15.780 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.554 14.289 15.563 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.040 12.873 14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.477 12.838 13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.671 14.147 11.832 1.00 0.00 H new ATOM 477 N LEU A 31 -1.532 12.278 12.216 1.00 0.00 N ATOM 478 CA LEU A 31 -1.743 10.886 11.831 1.00 0.00 C ATOM 479 C LEU A 31 -0.417 10.138 11.743 1.00 0.00 C ATOM 480 O LEU A 31 0.586 10.684 11.284 1.00 0.00 O ATOM 481 CB LEU A 31 -2.473 10.814 10.489 1.00 0.00 C ATOM 482 CG LEU A 31 -1.629 11.111 9.249 1.00 0.00 C ATOM 483 CD1 LEU A 31 -0.993 9.835 8.718 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.476 11.774 8.173 1.00 0.00 C ATOM 0 H LEU A 31 -1.294 12.898 11.442 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.356 10.411 12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.899 9.816 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.306 11.516 10.513 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.833 11.800 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.396 10.066 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.353 9.401 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.774 9.123 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.859 11.978 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.294 11.110 7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.883 12.710 8.556 1.00 0.00 H new ATOM 496 N ASN A 32 -0.420 8.885 12.184 1.00 0.00 N ATOM 497 CA ASN A 32 0.783 8.060 12.153 1.00 0.00 C ATOM 498 C ASN A 32 0.562 6.807 11.312 1.00 0.00 C ATOM 499 O ASN A 32 -0.406 6.073 11.516 1.00 0.00 O ATOM 500 CB ASN A 32 1.194 7.669 13.574 1.00 0.00 C ATOM 501 CG ASN A 32 0.973 8.791 14.570 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.084 9.969 14.229 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.659 8.429 15.808 1.00 0.00 N ATOM 0 H ASN A 32 -1.242 8.418 12.567 1.00 0.00 H new ATOM 0 HA ASN A 32 1.583 8.644 11.698 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.625 6.793 13.886 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.246 7.384 13.579 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.499 9.140 16.522 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.578 7.440 16.045 1.00 0.00 H new ATOM 510 N ILE A 33 1.466 6.568 10.368 1.00 0.00 N ATOM 511 CA ILE A 33 1.371 5.402 9.498 1.00 0.00 C ATOM 512 C ILE A 33 2.178 4.234 10.053 1.00 0.00 C ATOM 513 O ILE A 33 3.402 4.195 9.928 1.00 0.00 O ATOM 514 CB ILE A 33 1.863 5.721 8.074 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.307 7.069 7.608 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.458 4.614 7.113 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.178 7.042 7.321 1.00 0.00 C ATOM 0 H ILE A 33 2.272 7.166 10.186 1.00 0.00 H new ATOM 0 HA ILE A 33 0.318 5.125 9.456 1.00 0.00 H new ATOM 0 HB ILE A 33 2.951 5.783 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.508 7.820 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.837 7.380 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.813 4.854 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.898 3.671 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.372 4.522 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.504 8.030 6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.384 6.315 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.718 6.761 8.225 1.00 0.00 H new ATOM 529 N LYS A 34 1.484 3.281 10.667 1.00 0.00 N ATOM 530 CA LYS A 34 2.134 2.109 11.239 1.00 0.00 C ATOM 531 C LYS A 34 2.666 1.191 10.143 1.00 0.00 C ATOM 532 O LYS A 34 1.895 0.570 9.410 1.00 0.00 O ATOM 533 CB LYS A 34 1.155 1.342 12.131 1.00 0.00 C ATOM 534 CG LYS A 34 1.478 1.438 13.612 1.00 0.00 C ATOM 535 CD LYS A 34 0.369 0.844 14.464 1.00 0.00 C ATOM 536 CE LYS A 34 0.912 -0.172 15.457 1.00 0.00 C ATOM 537 NZ LYS A 34 0.787 -1.566 14.947 1.00 0.00 N ATOM 0 H LYS A 34 0.471 3.298 10.781 1.00 0.00 H new ATOM 0 HA LYS A 34 2.975 2.450 11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.148 1.723 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.153 0.293 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.413 0.917 13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.629 2.482 13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.145 1.641 15.002 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.370 0.366 13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.960 0.047 15.664 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.374 -0.081 16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.168 -2.229 15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.215 -1.783 14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.321 -1.660 14.059 1.00 0.00 H new ATOM 551 N THR A 35 3.988 1.109 10.035 1.00 0.00 N ATOM 552 CA THR A 35 4.622 0.267 9.029 1.00 0.00 C ATOM 553 C THR A 35 5.663 -0.652 9.657 1.00 0.00 C ATOM 554 O THR A 35 6.097 -0.433 10.787 1.00 0.00 O ATOM 555 CB THR A 35 5.296 1.113 7.932 1.00 0.00 C ATOM 556 OG1 THR A 35 5.929 0.259 6.973 1.00 0.00 O ATOM 557 CG2 THR A 35 6.325 2.058 8.534 1.00 0.00 C ATOM 0 H THR A 35 4.641 1.616 10.633 1.00 0.00 H new ATOM 0 HA THR A 35 3.833 -0.336 8.580 1.00 0.00 H new ATOM 0 HB THR A 35 4.527 1.706 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.353 0.805 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.788 2.645 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.835 2.727 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.091 1.480 9.052 1.00 0.00 H new ATOM 565 N ALA A 36 6.060 -1.682 8.917 1.00 0.00 N ATOM 566 CA ALA A 36 7.053 -2.633 9.401 1.00 0.00 C ATOM 567 C ALA A 36 8.409 -1.963 9.590 1.00 0.00 C ATOM 568 O ALA A 36 9.214 -2.391 10.418 1.00 0.00 O ATOM 569 CB ALA A 36 7.172 -3.807 8.440 1.00 0.00 C ATOM 0 H ALA A 36 5.709 -1.879 7.980 1.00 0.00 H new ATOM 0 HA ALA A 36 6.722 -3.003 10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.917 -4.509 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.208 -4.310 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.476 -3.444 7.458 1.00 0.00 H new ATOM 575 N SER A 37 8.657 -0.910 8.818 1.00 0.00 N ATOM 576 CA SER A 37 9.918 -0.183 8.898 1.00 0.00 C ATOM 577 C SER A 37 9.897 0.818 10.049 1.00 0.00 C ATOM 578 O SER A 37 10.931 1.365 10.430 1.00 0.00 O ATOM 579 CB SER A 37 10.197 0.543 7.580 1.00 0.00 C ATOM 580 OG SER A 37 9.811 -0.248 6.470 1.00 0.00 O ATOM 0 H SER A 37 8.001 -0.541 8.130 1.00 0.00 H new ATOM 0 HA SER A 37 10.714 -0.905 9.083 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.657 1.490 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.259 0.780 7.510 1.00 0.00 H new ATOM 0 HG SER A 37 9.998 0.239 5.640 1.00 0.00 H new ATOM 586 N GLY A 38 8.709 1.052 10.599 1.00 0.00 N ATOM 587 CA GLY A 38 8.573 1.987 11.701 1.00 0.00 C ATOM 588 C GLY A 38 7.215 2.659 11.727 1.00 0.00 C ATOM 589 O GLY A 38 6.182 1.989 11.717 1.00 0.00 O ATOM 0 H GLY A 38 7.839 0.611 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.732 1.460 12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.350 2.748 11.626 1.00 0.00 H new ATOM 593 N VAL A 39 7.215 3.988 11.763 1.00 0.00 N ATOM 594 CA VAL A 39 5.973 4.751 11.791 1.00 0.00 C ATOM 595 C VAL A 39 6.148 6.110 11.122 1.00 0.00 C ATOM 596 O VAL A 39 6.888 6.962 11.611 1.00 0.00 O ATOM 597 CB VAL A 39 5.477 4.962 13.234 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.442 6.075 13.286 1.00 0.00 C ATOM 599 CG2 VAL A 39 4.908 3.667 13.796 1.00 0.00 C ATOM 0 H VAL A 39 8.061 4.558 11.773 1.00 0.00 H new ATOM 0 HA VAL A 39 5.232 4.171 11.241 1.00 0.00 H new ATOM 0 HB VAL A 39 6.325 5.258 13.851 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.103 6.209 14.313 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.887 7.003 12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.593 5.812 12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.562 3.834 14.816 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.072 3.339 13.179 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.682 2.899 13.796 1.00 0.00 H new ATOM 609 N GLU A 40 5.460 6.305 10.002 1.00 0.00 N ATOM 610 CA GLU A 40 5.540 7.561 9.265 1.00 0.00 C ATOM 611 C GLU A 40 4.520 8.566 9.792 1.00 0.00 C ATOM 612 O GLU A 40 3.316 8.401 9.600 1.00 0.00 O ATOM 613 CB GLU A 40 5.309 7.318 7.772 1.00 0.00 C ATOM 614 CG GLU A 40 6.593 7.172 6.974 1.00 0.00 C ATOM 615 CD GLU A 40 6.406 7.495 5.504 1.00 0.00 C ATOM 616 OE1 GLU A 40 7.111 6.889 4.670 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.557 8.354 5.188 1.00 0.00 O ATOM 0 H GLU A 40 4.841 5.610 9.585 1.00 0.00 H new ATOM 0 HA GLU A 40 6.539 7.974 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.709 6.416 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.729 8.145 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.354 7.831 7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.964 6.152 7.074 1.00 0.00 H new ATOM 624 N GLN A 41 5.012 9.606 10.457 1.00 0.00 N ATOM 625 CA GLN A 41 4.144 10.638 11.013 1.00 0.00 C ATOM 626 C GLN A 41 3.837 11.710 9.972 1.00 0.00 C ATOM 627 O GLN A 41 4.726 12.158 9.248 1.00 0.00 O ATOM 628 CB GLN A 41 4.795 11.274 12.242 1.00 0.00 C ATOM 629 CG GLN A 41 5.489 10.272 13.150 1.00 0.00 C ATOM 630 CD GLN A 41 4.951 10.298 14.567 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.603 10.800 15.482 1.00 0.00 O ATOM 632 NE2 GLN A 41 3.753 9.756 14.755 1.00 0.00 N ATOM 0 H GLN A 41 6.007 9.757 10.624 1.00 0.00 H new ATOM 0 HA GLN A 41 3.207 10.168 11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.521 12.018 11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.033 11.803 12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.369 9.270 12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.558 10.483 13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.247 9.351 13.967 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.339 9.745 15.687 1.00 0.00 H new ATOM 641 N TRP A 42 2.575 12.116 9.904 1.00 0.00 N ATOM 642 CA TRP A 42 2.151 13.136 8.951 1.00 0.00 C ATOM 643 C TRP A 42 1.323 14.214 9.641 1.00 0.00 C ATOM 644 O TRP A 42 0.570 13.930 10.572 1.00 0.00 O ATOM 645 CB TRP A 42 1.343 12.501 7.818 1.00 0.00 C ATOM 646 CG TRP A 42 2.196 11.835 6.781 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.498 10.506 6.699 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.857 12.467 5.680 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.308 10.274 5.614 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.542 11.461 4.972 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.936 13.786 5.223 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.295 11.734 3.833 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.684 14.055 4.093 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.355 13.033 3.407 1.00 0.00 C ATOM 0 H TRP A 42 1.827 11.755 10.497 1.00 0.00 H new ATOM 0 HA TRP A 42 3.044 13.602 8.533 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.656 11.767 8.239 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.736 13.269 7.340 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.151 9.748 7.386 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.676 9.365 5.332 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.422 14.580 5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.814 10.948 3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.753 15.070 3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.930 13.275 2.526 1.00 0.00 H new ATOM 665 N ILE A 43 1.466 15.451 9.177 1.00 0.00 N ATOM 666 CA ILE A 43 0.729 16.571 9.750 1.00 0.00 C ATOM 667 C ILE A 43 -0.381 17.035 8.813 1.00 0.00 C ATOM 668 O ILE A 43 -0.168 17.196 7.611 1.00 0.00 O ATOM 669 CB ILE A 43 1.659 17.761 10.053 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.769 17.336 11.016 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.863 18.921 10.633 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.122 17.920 10.674 1.00 0.00 C ATOM 0 H ILE A 43 2.085 15.703 8.406 1.00 0.00 H new ATOM 0 HA ILE A 43 0.290 16.216 10.683 1.00 0.00 H new ATOM 0 HB ILE A 43 2.118 18.091 9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.497 17.638 12.027 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.841 16.248 11.017 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.534 19.754 10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.105 19.236 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.379 18.604 11.557 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.860 17.576 11.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.416 17.597 9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.066 19.008 10.701 1.00 0.00 H new ATOM 684 N VAL A 44 -1.568 17.250 9.372 1.00 0.00 N ATOM 685 CA VAL A 44 -2.713 17.698 8.588 1.00 0.00 C ATOM 686 C VAL A 44 -3.464 18.816 9.302 1.00 0.00 C ATOM 687 O VAL A 44 -3.662 18.768 10.516 1.00 0.00 O ATOM 688 CB VAL A 44 -3.687 16.539 8.304 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.618 16.322 9.488 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.480 16.809 7.035 1.00 0.00 C ATOM 0 H VAL A 44 -1.762 17.121 10.365 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.322 18.073 7.642 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.107 15.628 8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.299 15.499 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.030 16.081 10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.193 17.230 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.163 15.980 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.051 17.730 7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.795 16.910 6.193 1.00 0.00 H new ATOM 700 N ASP A 45 -3.880 19.821 8.540 1.00 0.00 N ATOM 701 CA ASP A 45 -4.612 20.952 9.099 1.00 0.00 C ATOM 702 C ASP A 45 -6.043 20.988 8.571 1.00 0.00 C ATOM 703 O ASP A 45 -6.269 21.114 7.367 1.00 0.00 O ATOM 704 CB ASP A 45 -3.899 22.264 8.765 1.00 0.00 C ATOM 705 CG ASP A 45 -3.993 23.277 9.889 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.005 24.006 10.116 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.056 23.341 10.541 1.00 0.00 O ATOM 0 H ASP A 45 -3.723 19.876 7.534 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.646 20.831 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.850 22.060 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.332 22.689 7.860 1.00 0.00 H new ATOM 712 N LEU A 46 -7.005 20.876 9.480 1.00 0.00 N ATOM 713 CA LEU A 46 -8.415 20.895 9.106 1.00 0.00 C ATOM 714 C LEU A 46 -8.843 22.291 8.665 1.00 0.00 C ATOM 715 O LEU A 46 -9.342 22.477 7.555 1.00 0.00 O ATOM 716 CB LEU A 46 -9.280 20.431 10.280 1.00 0.00 C ATOM 717 CG LEU A 46 -9.263 18.931 10.575 1.00 0.00 C ATOM 718 CD1 LEU A 46 -7.868 18.484 10.984 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.274 18.589 11.659 1.00 0.00 C ATOM 0 H LEU A 46 -6.835 20.771 10.480 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.553 20.212 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.956 20.961 11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.310 20.731 10.087 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.541 18.398 9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.875 17.414 11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.167 18.693 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.561 19.024 11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.248 17.517 11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.027 19.132 12.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.273 18.873 11.328 1.00 0.00 H new ATOM 731 N LYS A 47 -8.643 23.270 9.540 1.00 0.00 N ATOM 732 CA LYS A 47 -9.005 24.651 9.241 1.00 0.00 C ATOM 733 C LYS A 47 -8.626 25.014 7.809 1.00 0.00 C ATOM 734 O LYS A 47 -9.492 25.290 6.979 1.00 0.00 O ATOM 735 CB LYS A 47 -8.315 25.604 10.220 1.00 0.00 C ATOM 736 CG LYS A 47 -8.453 25.187 11.674 1.00 0.00 C ATOM 737 CD LYS A 47 -8.780 26.373 12.565 1.00 0.00 C ATOM 738 CE LYS A 47 -7.884 26.410 13.794 1.00 0.00 C ATOM 739 NZ LYS A 47 -7.484 27.800 14.147 1.00 0.00 N ATOM 0 H LYS A 47 -8.232 23.133 10.463 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.085 24.749 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.256 25.667 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.732 26.603 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.237 24.435 11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.526 24.723 12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.663 27.298 12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.823 26.320 12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.405 25.957 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.992 25.811 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.874 27.782 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.964 28.224 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.334 28.366 14.346 1.00 0.00 H new ATOM 753 N GLN A 48 -7.327 25.010 7.526 1.00 0.00 N ATOM 754 CA GLN A 48 -6.835 25.339 6.193 1.00 0.00 C ATOM 755 C GLN A 48 -6.715 24.086 5.333 1.00 0.00 C ATOM 756 O GLN A 48 -7.004 22.978 5.787 1.00 0.00 O ATOM 757 CB GLN A 48 -5.478 26.040 6.286 1.00 0.00 C ATOM 758 CG GLN A 48 -5.536 27.386 6.991 1.00 0.00 C ATOM 759 CD GLN A 48 -4.362 28.279 6.640 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.559 28.636 7.502 1.00 0.00 O ATOM 761 NE2 GLN A 48 -4.256 28.645 5.367 1.00 0.00 N ATOM 0 H GLN A 48 -6.597 24.783 8.201 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.553 26.012 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.779 25.392 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.082 26.183 5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.464 27.891 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.557 27.227 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.944 28.326 4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.486 29.245 5.071 1.00 0.00 H new ATOM 770 N LEU A 49 -6.287 24.267 4.088 1.00 0.00 N ATOM 771 CA LEU A 49 -6.129 23.151 3.163 1.00 0.00 C ATOM 772 C LEU A 49 -4.659 22.930 2.822 1.00 0.00 C ATOM 773 O LEU A 49 -4.239 23.122 1.681 1.00 0.00 O ATOM 774 CB LEU A 49 -6.928 23.406 1.884 1.00 0.00 C ATOM 775 CG LEU A 49 -8.404 23.758 2.073 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.039 22.854 3.118 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.558 25.220 2.466 1.00 0.00 C ATOM 0 H LEU A 49 -6.043 25.177 3.696 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.509 22.252 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.449 24.217 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.865 22.517 1.257 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.919 23.601 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.089 23.119 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.962 21.816 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.522 22.978 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.615 25.452 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.028 25.403 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.141 25.853 1.683 1.00 0.00 H new ATOM 789 N LYS A 50 -3.881 22.523 3.819 1.00 0.00 N ATOM 790 CA LYS A 50 -2.458 22.272 3.626 1.00 0.00 C ATOM 791 C LYS A 50 -2.058 20.924 4.218 1.00 0.00 C ATOM 792 O LYS A 50 -2.830 20.302 4.949 1.00 0.00 O ATOM 793 CB LYS A 50 -1.630 23.388 4.267 1.00 0.00 C ATOM 794 CG LYS A 50 -1.829 23.508 5.768 1.00 0.00 C ATOM 795 CD LYS A 50 -0.801 22.693 6.534 1.00 0.00 C ATOM 796 CE LYS A 50 0.419 23.528 6.890 1.00 0.00 C ATOM 797 NZ LYS A 50 1.155 23.980 5.677 1.00 0.00 N ATOM 0 H LYS A 50 -4.212 22.360 4.770 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.261 22.252 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.574 23.209 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.890 24.337 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.757 24.555 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.831 23.171 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.252 22.300 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.494 21.836 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.108 24.396 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.087 22.944 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.093 24.336 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.267 23.181 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.620 24.740 5.209 1.00 0.00 H new ATOM 811 N VAL A 51 -0.847 20.478 3.900 1.00 0.00 N ATOM 812 CA VAL A 51 -0.344 19.206 4.402 1.00 0.00 C ATOM 813 C VAL A 51 1.166 19.254 4.609 1.00 0.00 C ATOM 814 O VAL A 51 1.891 19.860 3.820 1.00 0.00 O ATOM 815 CB VAL A 51 -0.683 18.049 3.443 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.072 16.789 3.837 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.183 17.798 3.422 1.00 0.00 C ATOM 0 H VAL A 51 -0.196 20.980 3.296 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.834 19.029 5.360 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.370 18.330 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.181 15.983 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.144 16.979 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.206 16.500 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.405 16.978 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.522 17.538 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.698 18.698 3.087 1.00 0.00 H new ATOM 827 N ASP A 52 1.633 18.612 5.673 1.00 0.00 N ATOM 828 CA ASP A 52 3.058 18.580 5.983 1.00 0.00 C ATOM 829 C ASP A 52 3.471 17.204 6.497 1.00 0.00 C ATOM 830 O ASP A 52 2.636 16.426 6.956 1.00 0.00 O ATOM 831 CB ASP A 52 3.400 19.650 7.021 1.00 0.00 C ATOM 832 CG ASP A 52 2.444 20.826 6.977 1.00 0.00 C ATOM 833 OD1 ASP A 52 2.843 21.896 6.470 1.00 0.00 O ATOM 834 OD2 ASP A 52 1.297 20.676 7.447 1.00 0.00 O ATOM 0 H ASP A 52 1.046 18.106 6.336 1.00 0.00 H new ATOM 0 HA ASP A 52 3.609 18.786 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.380 19.206 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.416 20.005 6.851 1.00 0.00 H new ATOM 839 N GLN A 53 4.766 16.912 6.415 1.00 0.00 N ATOM 840 CA GLN A 53 5.289 15.630 6.870 1.00 0.00 C ATOM 841 C GLN A 53 6.049 15.787 8.183 1.00 0.00 C ATOM 842 O GLN A 53 6.756 16.773 8.388 1.00 0.00 O ATOM 843 CB GLN A 53 6.205 15.023 5.806 1.00 0.00 C ATOM 844 CG GLN A 53 6.329 13.510 5.901 1.00 0.00 C ATOM 845 CD GLN A 53 7.130 12.918 4.759 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.589 13.635 3.869 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.303 11.601 4.777 1.00 0.00 N ATOM 0 H GLN A 53 5.471 17.546 6.038 1.00 0.00 H new ATOM 0 HA GLN A 53 4.445 14.961 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.826 15.287 4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.196 15.467 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.803 13.247 6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.333 13.067 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.905 11.045 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.834 11.146 4.034 1.00 0.00 H new ATOM 856 N GLY A 54 5.898 14.808 9.069 1.00 0.00 N ATOM 857 CA GLY A 54 6.576 14.857 10.351 1.00 0.00 C ATOM 858 C GLY A 54 5.613 15.006 11.512 1.00 0.00 C ATOM 859 O GLY A 54 4.441 14.643 11.406 1.00 0.00 O ATOM 0 H GLY A 54 5.318 13.982 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.162 13.947 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.277 15.691 10.356 1.00 0.00 H new ATOM 863 N VAL A 55 6.106 15.541 12.624 1.00 0.00 N ATOM 864 CA VAL A 55 5.280 15.737 13.810 1.00 0.00 C ATOM 865 C VAL A 55 5.050 17.220 14.080 1.00 0.00 C ATOM 866 O VAL A 55 5.998 17.978 14.289 1.00 0.00 O ATOM 867 CB VAL A 55 5.922 15.093 15.053 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.181 15.511 16.314 1.00 0.00 C ATOM 869 CG2 VAL A 55 5.945 13.578 14.916 1.00 0.00 C ATOM 0 H VAL A 55 7.073 15.847 12.729 1.00 0.00 H new ATOM 0 HA VAL A 55 4.323 15.254 13.613 1.00 0.00 H new ATOM 0 HB VAL A 55 6.951 15.444 15.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.649 15.046 17.182 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.221 16.595 16.417 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.141 15.191 16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.402 13.139 15.803 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.926 13.207 14.812 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.524 13.301 14.035 1.00 0.00 H new ATOM 879 N PHE A 56 3.785 17.627 14.076 1.00 0.00 N ATOM 880 CA PHE A 56 3.430 19.020 14.320 1.00 0.00 C ATOM 881 C PHE A 56 3.987 19.497 15.658 1.00 0.00 C ATOM 882 O PHE A 56 4.085 18.725 16.613 1.00 0.00 O ATOM 883 CB PHE A 56 1.910 19.192 14.298 1.00 0.00 C ATOM 884 CG PHE A 56 1.470 20.600 14.018 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.521 21.216 14.819 1.00 0.00 C ATOM 886 CD2 PHE A 56 2.005 21.309 12.955 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.114 22.512 14.564 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.602 22.605 12.695 1.00 0.00 C ATOM 889 CZ PHE A 56 0.655 23.207 13.500 1.00 0.00 C ATOM 0 H PHE A 56 2.989 17.012 13.907 1.00 0.00 H new ATOM 0 HA PHE A 56 3.869 19.625 13.527 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.489 18.531 13.541 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.503 18.877 15.259 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.095 20.677 15.652 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.746 20.843 12.322 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.626 22.981 15.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.027 23.147 11.863 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.338 24.219 13.298 1.00 0.00 H new ATOM 899 N ALA A 57 4.353 20.773 15.720 1.00 0.00 N ATOM 900 CA ALA A 57 4.899 21.354 16.940 1.00 0.00 C ATOM 901 C ALA A 57 3.925 21.202 18.104 1.00 0.00 C ATOM 902 O ALA A 57 4.333 21.159 19.264 1.00 0.00 O ATOM 903 CB ALA A 57 5.238 22.821 16.720 1.00 0.00 C ATOM 0 H ALA A 57 4.281 21.425 14.939 1.00 0.00 H new ATOM 0 HA ALA A 57 5.812 20.816 17.193 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.645 23.242 17.639 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.976 22.908 15.923 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.336 23.365 16.440 1.00 0.00 H new ATOM 909 N SER A 58 2.637 21.122 17.785 1.00 0.00 N ATOM 910 CA SER A 58 1.605 20.980 18.805 1.00 0.00 C ATOM 911 C SER A 58 0.252 20.673 18.170 1.00 0.00 C ATOM 912 O SER A 58 -0.622 21.534 18.063 1.00 0.00 O ATOM 913 CB SER A 58 1.510 22.254 19.645 1.00 0.00 C ATOM 914 OG SER A 58 0.866 22.003 20.883 1.00 0.00 O ATOM 0 H SER A 58 2.284 21.153 16.829 1.00 0.00 H new ATOM 0 HA SER A 58 1.880 20.147 19.452 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.510 22.650 19.825 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.960 23.017 19.094 1.00 0.00 H new ATOM 0 HG SER A 58 0.819 22.833 21.402 1.00 0.00 H new ATOM 920 N PRO A 59 0.074 19.416 17.736 1.00 0.00 N ATOM 921 CA PRO A 59 -1.169 18.965 17.105 1.00 0.00 C ATOM 922 C PRO A 59 -2.329 18.893 18.093 1.00 0.00 C ATOM 923 O PRO A 59 -2.121 18.820 19.304 1.00 0.00 O ATOM 924 CB PRO A 59 -0.819 17.568 16.589 1.00 0.00 C ATOM 925 CG PRO A 59 0.291 17.106 17.470 1.00 0.00 C ATOM 926 CD PRO A 59 1.073 18.338 17.831 1.00 0.00 C ATOM 0 HA PRO A 59 -1.502 19.651 16.326 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.677 16.898 16.648 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.509 17.598 15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.097 16.615 18.362 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.921 16.380 16.956 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.494 18.267 18.834 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.906 18.500 17.147 1.00 0.00 H new ATOM 934 N ASP A 60 -3.549 18.914 17.568 1.00 0.00 N ATOM 935 CA ASP A 60 -4.742 18.849 18.404 1.00 0.00 C ATOM 936 C ASP A 60 -5.029 17.412 18.830 1.00 0.00 C ATOM 937 O ASP A 60 -5.467 17.163 19.953 1.00 0.00 O ATOM 938 CB ASP A 60 -5.946 19.423 17.657 1.00 0.00 C ATOM 939 CG ASP A 60 -6.797 20.321 18.534 1.00 0.00 C ATOM 940 OD1 ASP A 60 -6.711 20.194 19.774 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.548 21.151 17.981 1.00 0.00 O ATOM 0 H ASP A 60 -3.738 18.976 16.568 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.562 19.445 19.299 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.598 19.988 16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.558 18.605 17.277 1.00 0.00 H new ATOM 946 N VAL A 61 -4.781 16.471 17.925 1.00 0.00 N ATOM 947 CA VAL A 61 -5.014 15.060 18.206 1.00 0.00 C ATOM 948 C VAL A 61 -3.988 14.182 17.498 1.00 0.00 C ATOM 949 O VAL A 61 -3.457 14.549 16.449 1.00 0.00 O ATOM 950 CB VAL A 61 -6.428 14.627 17.775 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.732 13.223 18.275 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.465 15.618 18.281 1.00 0.00 C ATOM 0 H VAL A 61 -4.419 16.661 16.991 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.916 14.932 19.284 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.470 14.616 16.686 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.735 12.934 17.961 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.006 12.524 17.860 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.673 13.204 19.363 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.458 15.297 17.968 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.425 15.663 19.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.256 16.605 17.869 1.00 0.00 H new ATOM 962 N THR A 62 -3.711 13.018 18.079 1.00 0.00 N ATOM 963 CA THR A 62 -2.748 12.087 17.505 1.00 0.00 C ATOM 964 C THR A 62 -3.379 10.720 17.267 1.00 0.00 C ATOM 965 O THR A 62 -3.617 9.963 18.209 1.00 0.00 O ATOM 966 CB THR A 62 -1.517 11.921 18.415 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.024 13.205 18.813 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.417 11.149 17.701 1.00 0.00 C ATOM 0 H THR A 62 -4.141 12.698 18.947 1.00 0.00 H new ATOM 0 HA THR A 62 -2.431 12.508 16.551 1.00 0.00 H new ATOM 0 HB THR A 62 -1.819 11.359 19.299 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.242 13.090 19.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.442 11.044 18.363 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.786 10.161 17.426 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.119 11.688 16.802 1.00 0.00 H new ATOM 976 N VAL A 63 -3.648 10.409 16.003 1.00 0.00 N ATOM 977 CA VAL A 63 -4.250 9.131 15.642 1.00 0.00 C ATOM 978 C VAL A 63 -3.219 8.194 15.023 1.00 0.00 C ATOM 979 O VAL A 63 -2.272 8.636 14.372 1.00 0.00 O ATOM 980 CB VAL A 63 -5.415 9.319 14.653 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.889 9.554 13.245 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.345 8.116 14.690 1.00 0.00 C ATOM 0 H VAL A 63 -3.459 11.024 15.212 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.632 8.690 16.562 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.984 10.199 14.953 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.727 9.685 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.268 10.450 13.233 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.294 8.696 12.931 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.162 8.266 13.985 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.790 7.219 14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.750 8.000 15.695 1.00 0.00 H new ATOM 992 N THR A 64 -3.410 6.894 15.230 1.00 0.00 N ATOM 993 CA THR A 64 -2.497 5.893 14.693 1.00 0.00 C ATOM 994 C THR A 64 -3.232 4.902 13.798 1.00 0.00 C ATOM 995 O THR A 64 -4.252 4.335 14.189 1.00 0.00 O ATOM 996 CB THR A 64 -1.785 5.120 15.819 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.201 6.038 16.750 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.707 4.209 15.253 1.00 0.00 C ATOM 0 H THR A 64 -4.189 6.511 15.766 1.00 0.00 H new ATOM 0 HA THR A 64 -1.753 6.428 14.103 1.00 0.00 H new ATOM 0 HB THR A 64 -2.525 4.505 16.331 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.752 5.539 17.464 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.218 3.674 16.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.159 3.492 14.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.031 4.807 14.718 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.708 4.697 12.594 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.314 3.772 11.643 1.00 0.00 C ATOM 1008 C VAL A 65 -2.260 3.147 10.736 1.00 0.00 C ATOM 1009 O VAL A 65 -1.232 3.759 10.447 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.372 4.476 10.773 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.758 5.656 10.036 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.996 3.492 9.794 1.00 0.00 C ATOM 0 H VAL A 65 -1.865 5.159 12.254 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.797 2.988 12.227 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.159 4.855 11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.520 6.141 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.362 6.370 10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.950 5.304 9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.741 4.006 9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.221 3.082 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.473 2.682 10.346 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.522 1.923 10.289 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.587 1.234 9.419 1.00 0.00 C ATOM 1024 C GLY A 66 -1.678 1.705 7.981 1.00 0.00 C ATOM 1025 O GLY A 66 -2.617 2.411 7.610 1.00 0.00 O ATOM 0 H GLY A 66 -3.366 1.396 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.572 1.390 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.780 0.162 9.460 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.701 1.317 7.170 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.673 1.706 5.764 1.00 0.00 C ATOM 1031 C LEU A 67 -1.828 1.067 5.000 1.00 0.00 C ATOM 1032 O LEU A 67 -2.573 1.750 4.298 1.00 0.00 O ATOM 1033 CB LEU A 67 0.659 1.302 5.129 1.00 0.00 C ATOM 1034 CG LEU A 67 1.888 1.390 6.035 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.408 -0.001 6.363 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.976 2.227 5.378 1.00 0.00 C ATOM 0 H LEU A 67 0.083 0.733 7.461 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.780 2.789 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.571 0.277 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.829 1.933 4.257 1.00 0.00 H new ATOM 0 HG LEU A 67 1.596 1.876 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.283 0.080 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.631 -0.569 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.684 -0.513 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.843 2.279 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.266 1.769 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.600 3.233 5.194 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.971 -0.247 5.143 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.037 -0.978 4.467 1.00 0.00 C ATOM 1050 C GLU A 68 -4.383 -0.289 4.671 1.00 0.00 C ATOM 1051 O GLU A 68 -5.058 0.076 3.709 1.00 0.00 O ATOM 1052 CB GLU A 68 -3.105 -2.417 4.981 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.851 -3.226 4.695 1.00 0.00 C ATOM 1054 CD GLU A 68 -2.158 -4.658 4.300 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.168 -4.948 3.085 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.388 -5.487 5.205 1.00 0.00 O ATOM 0 H GLU A 68 -1.362 -0.827 5.721 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.813 -0.992 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.280 -2.402 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.961 -2.916 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.288 -2.745 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.213 -3.226 5.579 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.766 -0.115 5.931 1.00 0.00 N ATOM 1064 CA ASP A 69 -6.031 0.530 6.263 1.00 0.00 C ATOM 1065 C ASP A 69 -6.144 1.889 5.579 1.00 0.00 C ATOM 1066 O ASP A 69 -7.135 2.176 4.908 1.00 0.00 O ATOM 1067 CB ASP A 69 -6.162 0.696 7.778 1.00 0.00 C ATOM 1068 CG ASP A 69 -7.560 0.388 8.276 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -8.071 -0.710 7.971 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -8.144 1.245 8.972 1.00 0.00 O ATOM 0 H ASP A 69 -4.219 -0.411 6.739 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.840 -0.106 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.449 0.038 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.899 1.717 8.053 1.00 0.00 H new ATOM 1075 N MET A 70 -5.124 2.722 5.756 1.00 0.00 N ATOM 1076 CA MET A 70 -5.109 4.050 5.155 1.00 0.00 C ATOM 1077 C MET A 70 -5.244 3.963 3.638 1.00 0.00 C ATOM 1078 O MET A 70 -5.773 4.872 2.998 1.00 0.00 O ATOM 1079 CB MET A 70 -3.818 4.785 5.522 1.00 0.00 C ATOM 1080 CG MET A 70 -3.932 5.615 6.791 1.00 0.00 C ATOM 1081 SD MET A 70 -3.499 7.346 6.530 1.00 0.00 S ATOM 1082 CE MET A 70 -5.087 8.134 6.787 1.00 0.00 C ATOM 0 H MET A 70 -4.297 2.501 6.311 1.00 0.00 H new ATOM 0 HA MET A 70 -5.960 4.607 5.546 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.017 4.056 5.645 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.533 5.436 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.952 5.553 7.171 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.281 5.193 7.556 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.983 9.212 6.659 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.805 7.750 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.440 7.920 7.796 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.762 2.864 3.068 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.829 2.657 1.626 1.00 0.00 C ATOM 1094 C LEU A 71 -6.269 2.446 1.172 1.00 0.00 C ATOM 1095 O LEU A 71 -6.694 2.983 0.150 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.973 1.455 1.223 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.658 1.325 -0.268 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -2.336 0.602 -0.473 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -4.784 0.598 -0.989 1.00 0.00 C ATOM 0 H LEU A 71 -4.320 2.102 3.583 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.442 3.551 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.031 1.505 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.482 0.547 1.547 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.570 2.326 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.128 0.519 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.536 1.163 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.395 -0.395 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.543 0.514 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.904 -0.399 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.712 1.157 -0.871 1.00 0.00 H new ATOM 1111 N ALA A 72 -7.017 1.660 1.940 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.411 1.381 1.620 1.00 0.00 C ATOM 1113 C ALA A 72 -9.260 2.644 1.715 1.00 0.00 C ATOM 1114 O ALA A 72 -10.107 2.900 0.858 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.960 0.304 2.544 1.00 0.00 C ATOM 0 H ALA A 72 -6.680 1.205 2.789 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.456 1.020 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.002 0.106 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.378 -0.610 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.894 0.643 3.578 1.00 0.00 H new ATOM 1121 N ILE A 73 -9.028 3.430 2.761 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.771 4.667 2.967 1.00 0.00 C ATOM 1123 C ILE A 73 -9.299 5.757 2.011 1.00 0.00 C ATOM 1124 O ILE A 73 -10.059 6.225 1.163 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.632 5.173 4.414 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.826 4.021 5.402 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.634 6.285 4.685 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.608 4.419 6.845 1.00 0.00 C ATOM 0 H ILE A 73 -8.331 3.232 3.479 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.819 4.442 2.769 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.628 5.575 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.835 3.624 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.137 3.215 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.523 6.632 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.452 7.113 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.646 5.907 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.762 3.553 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.590 4.788 6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.314 5.203 7.117 1.00 0.00 H new ATOM 1140 N SER A 74 -8.039 6.156 2.152 1.00 0.00 N ATOM 1141 CA SER A 74 -7.466 7.193 1.302 1.00 0.00 C ATOM 1142 C SER A 74 -7.584 6.815 -0.171 1.00 0.00 C ATOM 1143 O SER A 74 -7.619 7.680 -1.045 1.00 0.00 O ATOM 1144 CB SER A 74 -5.998 7.425 1.665 1.00 0.00 C ATOM 1145 OG SER A 74 -5.143 6.627 0.865 1.00 0.00 O ATOM 0 H SER A 74 -7.396 5.777 2.847 1.00 0.00 H new ATOM 0 HA SER A 74 -8.024 8.114 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.749 8.478 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.839 7.191 2.718 1.00 0.00 H new ATOM 0 HG SER A 74 -5.148 5.706 1.199 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.644 5.514 -0.439 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.757 5.042 -1.806 1.00 0.00 C ATOM 1153 C GLY A 75 -9.183 5.087 -2.319 1.00 0.00 C ATOM 1154 O GLY A 75 -9.468 4.630 -3.426 1.00 0.00 O ATOM 0 H GLY A 75 -7.616 4.778 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.123 5.650 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.385 4.019 -1.866 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.084 5.637 -1.511 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.489 5.739 -1.888 1.00 0.00 C ATOM 1160 C LYS A 76 -12.112 4.356 -2.043 1.00 0.00 C ATOM 1161 O LYS A 76 -12.654 4.022 -3.098 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.632 6.525 -3.193 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.932 7.304 -3.295 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.406 7.412 -4.735 1.00 0.00 C ATOM 1165 CE LYS A 76 -14.058 8.759 -5.007 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.446 8.909 -6.436 1.00 0.00 N ATOM 0 H LYS A 76 -9.866 6.019 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.016 6.268 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.795 7.218 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.566 5.833 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.699 6.814 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.792 8.303 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.561 7.273 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.117 6.613 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.941 8.869 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.369 9.558 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.887 9.840 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.600 8.830 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.123 8.162 -6.692 1.00 0.00 H new ATOM 1180 N THR A 77 -12.034 3.554 -0.986 1.00 0.00 N ATOM 1181 CA THR A 77 -12.591 2.208 -1.005 1.00 0.00 C ATOM 1182 C THR A 77 -13.347 1.907 0.285 1.00 0.00 C ATOM 1183 O THR A 77 -14.542 1.610 0.261 1.00 0.00 O ATOM 1184 CB THR A 77 -11.491 1.147 -1.201 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.299 1.765 -1.698 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.949 0.065 -2.168 1.00 0.00 C ATOM 0 H THR A 77 -11.590 3.814 -0.105 1.00 0.00 H new ATOM 0 HA THR A 77 -13.282 2.164 -1.847 1.00 0.00 H new ATOM 0 HB THR A 77 -11.285 0.685 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.890 2.304 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.156 -0.673 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.840 -0.423 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.179 0.514 -3.134 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.644 1.987 1.409 1.00 0.00 N ATOM 1195 CA LEU A 78 -13.249 1.723 2.710 1.00 0.00 C ATOM 1196 C LEU A 78 -13.794 3.008 3.327 1.00 0.00 C ATOM 1197 O LEU A 78 -13.532 4.106 2.835 1.00 0.00 O ATOM 1198 CB LEU A 78 -12.225 1.087 3.651 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.384 -0.413 3.901 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -11.156 -0.971 4.603 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.638 -0.687 4.719 1.00 0.00 C ATOM 0 H LEU A 78 -11.655 2.232 1.446 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.078 1.031 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.229 1.264 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.274 1.602 4.610 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.485 -0.913 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.288 -2.040 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.276 -0.808 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.023 -0.466 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.735 -1.759 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.566 -0.174 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.512 -0.324 4.178 1.00 0.00 H new ATOM 1213 N THR A 79 -14.554 2.863 4.408 1.00 0.00 N ATOM 1214 CA THR A 79 -15.136 4.010 5.093 1.00 0.00 C ATOM 1215 C THR A 79 -14.608 4.125 6.518 1.00 0.00 C ATOM 1216 O THR A 79 -14.263 3.124 7.146 1.00 0.00 O ATOM 1217 CB THR A 79 -16.673 3.921 5.132 1.00 0.00 C ATOM 1218 OG1 THR A 79 -17.079 2.812 5.941 1.00 0.00 O ATOM 1219 CG2 THR A 79 -17.242 3.767 3.729 1.00 0.00 C ATOM 0 H THR A 79 -14.781 1.962 4.828 1.00 0.00 H new ATOM 0 HA THR A 79 -14.846 4.896 4.528 1.00 0.00 H new ATOM 0 HB THR A 79 -17.058 4.845 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 79 -18.058 2.763 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.329 3.706 3.782 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.956 4.627 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.849 2.857 3.275 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.550 5.352 7.026 1.00 0.00 N ATOM 1228 CA VAL A 80 -14.066 5.597 8.379 1.00 0.00 C ATOM 1229 C VAL A 80 -14.754 4.680 9.384 1.00 0.00 C ATOM 1230 O VAL A 80 -14.114 4.131 10.279 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.292 7.062 8.799 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.977 7.249 10.275 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.451 7.997 7.943 1.00 0.00 C ATOM 0 H VAL A 80 -14.832 6.192 6.521 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.996 5.388 8.375 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.342 7.309 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.142 8.290 10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.626 6.607 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.936 6.985 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.623 9.028 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.396 7.752 8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.731 7.882 6.896 1.00 0.00 H new ATOM 1243 N GLY A 81 -16.065 4.518 9.228 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.819 3.666 10.128 1.00 0.00 C ATOM 1245 C GLY A 81 -16.324 2.233 10.122 1.00 0.00 C ATOM 1246 O GLY A 81 -16.262 1.586 11.167 1.00 0.00 O ATOM 0 H GLY A 81 -16.618 4.962 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.754 4.065 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.871 3.685 9.845 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.972 1.736 8.941 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.480 0.370 8.802 1.00 0.00 C ATOM 1252 C ASP A 82 -14.164 0.188 9.552 1.00 0.00 C ATOM 1253 O ASP A 82 -14.034 -0.704 10.390 1.00 0.00 O ATOM 1254 CB ASP A 82 -15.293 0.020 7.325 1.00 0.00 C ATOM 1255 CG ASP A 82 -16.233 -1.078 6.867 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -17.440 -0.799 6.710 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.760 -2.216 6.665 1.00 0.00 O ATOM 0 H ASP A 82 -16.018 2.259 8.066 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.220 -0.303 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.458 0.911 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.263 -0.294 7.156 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.190 1.038 9.243 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.885 0.971 9.888 1.00 0.00 C ATOM 1264 C ALA A 83 -12.011 1.126 11.400 1.00 0.00 C ATOM 1265 O ALA A 83 -11.252 0.524 12.161 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.961 2.039 9.321 1.00 0.00 C ATOM 0 H ALA A 83 -13.280 1.781 8.550 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.456 -0.010 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.990 1.978 9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.837 1.881 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.394 3.024 9.495 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.972 1.935 11.829 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.197 2.170 13.251 1.00 0.00 C ATOM 1274 C LEU A 84 -13.717 0.909 13.935 1.00 0.00 C ATOM 1275 O LEU A 84 -13.259 0.543 15.017 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.189 3.317 13.449 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.953 4.206 14.670 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.661 4.994 14.515 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.131 5.146 14.882 1.00 0.00 C ATOM 0 H LEU A 84 -13.609 2.440 11.213 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.244 2.441 13.704 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.170 3.945 12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.192 2.895 13.520 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.862 3.567 15.548 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.510 5.621 15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.824 4.304 14.413 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.723 5.623 13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.945 5.771 15.755 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.255 5.778 14.003 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.038 4.563 15.040 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.676 0.248 13.295 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.257 -0.974 13.839 1.00 0.00 C ATOM 1293 C LYS A 85 -14.199 -2.064 13.979 1.00 0.00 C ATOM 1294 O LYS A 85 -14.229 -2.851 14.924 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.395 -1.465 12.941 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.878 -2.864 13.282 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.162 -3.206 12.545 1.00 0.00 C ATOM 1298 CE LYS A 85 -18.424 -4.704 12.546 1.00 0.00 C ATOM 1299 NZ LYS A 85 -18.879 -5.189 11.214 1.00 0.00 N ATOM 0 H LYS A 85 -15.067 0.538 12.399 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.654 -0.749 14.829 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.232 -0.772 13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.061 -1.448 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.106 -3.589 13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.043 -2.941 14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -19.000 -2.689 13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.099 -2.847 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.514 -5.231 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.179 -4.940 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.301 -6.134 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.588 -4.532 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.066 -5.240 10.567 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.267 -2.102 13.033 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.199 -3.095 13.052 1.00 0.00 C ATOM 1315 C GLN A 86 -11.216 -2.815 14.184 1.00 0.00 C ATOM 1316 O GLN A 86 -10.758 -3.733 14.863 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.462 -3.109 11.712 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.339 -3.518 10.540 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.557 -3.669 9.250 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.341 -3.864 9.268 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.251 -3.580 8.122 1.00 0.00 N ATOM 0 H GLN A 86 -13.229 -1.457 12.244 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.650 -4.073 13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.054 -2.117 11.521 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.617 -3.794 11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.833 -4.461 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.123 -2.773 10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.257 -3.418 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.778 -3.674 7.223 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.895 -1.540 14.381 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.967 -1.163 15.431 1.00 0.00 C ATOM 1332 C GLY A 87 -8.569 -0.905 14.905 1.00 0.00 C ATOM 1333 O GLY A 87 -7.594 -0.964 15.654 1.00 0.00 O ATOM 0 H GLY A 87 -11.261 -0.762 13.832 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.334 -0.267 15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.930 -1.954 16.180 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.470 -0.619 13.611 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.181 -0.351 12.983 1.00 0.00 C ATOM 1339 C LYS A 88 -6.691 1.053 13.324 1.00 0.00 C ATOM 1340 O LYS A 88 -5.489 1.286 13.453 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.287 -0.512 11.465 1.00 0.00 C ATOM 1342 CG LYS A 88 -8.040 -1.759 11.036 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.460 -3.009 11.677 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.451 -4.180 10.706 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.079 -4.477 10.208 1.00 0.00 N ATOM 0 H LYS A 88 -9.267 -0.567 12.977 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.460 -1.072 13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.785 0.364 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.284 -0.540 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.091 -1.663 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.001 -1.854 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.444 -2.808 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.044 -3.271 12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.858 -5.063 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.103 -3.957 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.115 -5.281 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.700 -3.643 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.462 -4.715 11.011 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.629 1.983 13.469 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.292 3.362 13.797 1.00 0.00 C ATOM 1361 C ILE A 89 -7.422 3.619 15.294 1.00 0.00 C ATOM 1362 O ILE A 89 -8.524 3.617 15.840 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.189 4.357 13.037 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.516 3.820 11.642 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.512 5.716 12.943 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.343 4.772 10.807 1.00 0.00 C ATOM 0 H ILE A 89 -8.628 1.806 13.364 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.256 3.514 13.493 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.122 4.476 13.588 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.585 3.604 11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.053 2.876 11.741 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.158 6.408 12.403 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.326 6.100 13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.565 5.615 12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.537 4.326 9.831 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.290 4.969 11.310 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.800 5.708 10.677 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.288 3.840 15.952 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.275 4.099 17.387 1.00 0.00 C ATOM 1380 C GLU A 90 -6.332 5.598 17.669 1.00 0.00 C ATOM 1381 O GLU A 90 -5.768 6.403 16.927 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.023 3.495 18.026 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.108 3.379 19.539 1.00 0.00 C ATOM 1384 CD GLU A 90 -5.800 2.107 19.989 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -6.657 1.601 19.235 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -5.485 1.619 21.094 1.00 0.00 O ATOM 0 H GLU A 90 -5.367 3.845 15.514 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.157 3.631 17.823 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.851 2.505 17.603 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.160 4.108 17.765 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.103 3.409 19.959 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.645 4.240 19.936 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.017 5.965 18.746 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.149 7.367 19.128 1.00 0.00 C ATOM 1395 C LEU A 91 -6.119 7.741 20.189 1.00 0.00 C ATOM 1396 O LEU A 91 -5.570 6.875 20.869 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.560 7.643 19.652 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.669 7.684 18.601 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.038 6.276 18.158 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.891 8.411 19.143 1.00 0.00 C ATOM 0 H LEU A 91 -7.490 5.312 19.370 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.971 7.977 18.243 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.810 6.877 20.386 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.550 8.597 20.179 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.300 8.231 17.733 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.829 6.326 17.410 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.163 5.788 17.729 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.387 5.704 19.018 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.670 8.431 18.381 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.261 7.892 20.027 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.618 9.432 19.409 1.00 0.00 H new ATOM 1412 N SER A 92 -5.862 9.038 20.324 1.00 0.00 N ATOM 1413 CA SER A 92 -4.896 9.528 21.301 1.00 0.00 C ATOM 1414 C SER A 92 -4.908 11.053 21.360 1.00 0.00 C ATOM 1415 O SER A 92 -5.076 11.723 20.342 1.00 0.00 O ATOM 1416 CB SER A 92 -3.491 9.031 20.953 1.00 0.00 C ATOM 1417 OG SER A 92 -2.761 8.707 22.124 1.00 0.00 O ATOM 0 H SER A 92 -6.309 9.768 19.770 1.00 0.00 H new ATOM 0 HA SER A 92 -5.179 9.142 22.280 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.561 8.154 20.310 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.959 9.798 20.390 1.00 0.00 H new ATOM 0 HG SER A 92 -1.867 8.390 21.875 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.729 11.594 22.561 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.723 13.035 22.732 1.00 0.00 C ATOM 1425 C GLY A 93 -6.090 13.581 23.094 1.00 0.00 C ATOM 1426 O GLY A 93 -6.592 13.338 24.192 1.00 0.00 O ATOM 0 H GLY A 93 -4.588 11.060 23.419 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.010 13.302 23.512 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.379 13.506 21.811 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.692 14.323 22.172 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.009 14.906 22.400 1.00 0.00 C ATOM 1432 C ASP A 94 -9.086 14.125 21.653 1.00 0.00 C ATOM 1433 O ASP A 94 -9.576 14.564 20.613 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.025 16.371 21.958 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.706 17.322 23.095 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -8.497 17.379 24.060 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -6.665 18.007 23.020 1.00 0.00 O ATOM 0 H ASP A 94 -6.289 14.535 21.259 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.222 14.854 23.468 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.301 16.513 21.155 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.006 16.614 21.550 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.449 12.966 22.191 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.468 12.124 21.576 1.00 0.00 C ATOM 1444 C ALA A 95 -11.668 12.952 21.131 1.00 0.00 C ATOM 1445 O ALA A 95 -12.278 12.674 20.098 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.906 11.034 22.543 1.00 0.00 C ATOM 0 H ALA A 95 -9.053 12.588 23.052 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.034 11.657 20.692 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.667 10.413 22.071 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.048 10.417 22.809 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.318 11.490 23.443 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.003 13.970 21.916 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.131 14.840 21.602 1.00 0.00 C ATOM 1454 C ASP A 96 -13.040 15.351 20.167 1.00 0.00 C ATOM 1455 O ASP A 96 -14.020 15.315 19.421 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.179 16.019 22.574 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.555 16.214 23.180 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.098 17.334 23.074 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.090 15.246 23.760 1.00 0.00 O ATOM 0 H ASP A 96 -11.509 14.213 22.775 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.047 14.258 21.704 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.453 15.858 23.371 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.883 16.929 22.052 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.859 15.827 19.788 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.641 16.347 18.442 1.00 0.00 C ATOM 1466 C LEU A 97 -11.729 15.230 17.406 1.00 0.00 C ATOM 1467 O LEU A 97 -12.481 15.328 16.437 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.276 17.032 18.355 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.281 18.556 18.476 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.648 18.989 19.790 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.553 19.187 17.298 1.00 0.00 C ATOM 0 H LEU A 97 -11.038 15.864 20.393 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.422 17.077 18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.638 16.627 19.141 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.818 16.765 17.403 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.316 18.899 18.464 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.660 20.077 19.859 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.211 18.566 20.622 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.618 18.634 19.832 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.567 20.272 17.401 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.521 18.837 17.278 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.050 18.904 16.370 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.958 14.169 17.620 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.953 13.033 16.707 1.00 0.00 C ATOM 1485 C ALA A 98 -12.361 12.479 16.512 1.00 0.00 C ATOM 1486 O ALA A 98 -12.677 11.915 15.465 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.023 11.945 17.224 1.00 0.00 C ATOM 0 H ALA A 98 -10.329 14.073 18.417 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.589 13.378 15.739 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.029 11.102 16.532 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.011 12.340 17.306 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.363 11.612 18.205 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.202 12.643 17.528 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.576 12.160 17.467 1.00 0.00 C ATOM 1495 C ALA A 99 -15.334 12.806 16.313 1.00 0.00 C ATOM 1496 O ALA A 99 -16.108 12.147 15.618 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.288 12.429 18.785 1.00 0.00 C ATOM 0 H ALA A 99 -12.956 13.106 18.403 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.550 11.084 17.293 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.313 12.063 18.726 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.766 11.916 19.592 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.296 13.501 18.982 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.109 14.100 16.113 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.770 14.837 15.042 1.00 0.00 C ATOM 1505 C LYS A 100 -15.577 14.136 13.701 1.00 0.00 C ATOM 1506 O LYS A 100 -16.496 14.074 12.884 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.226 16.265 14.966 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.177 16.969 16.311 1.00 0.00 C ATOM 1509 CD LYS A 100 -16.446 16.730 17.112 1.00 0.00 C ATOM 1510 CE LYS A 100 -17.679 17.204 16.358 1.00 0.00 C ATOM 1511 NZ LYS A 100 -18.630 17.927 17.247 1.00 0.00 N ATOM 0 H LYS A 100 -14.473 14.661 16.680 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.837 14.873 15.264 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.222 16.241 14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.847 16.846 14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -14.316 16.614 16.877 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.039 18.039 16.158 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.541 15.668 17.336 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.379 17.252 18.066 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.376 17.859 15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.182 16.347 15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.457 18.233 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.940 17.294 18.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.159 18.759 17.656 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.378 13.609 13.481 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.065 12.911 12.239 1.00 0.00 C ATOM 1527 C LEU A 101 -14.944 11.676 12.072 1.00 0.00 C ATOM 1528 O LEU A 101 -15.459 11.411 10.987 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.589 12.508 12.215 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.583 13.653 12.095 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.163 13.110 12.025 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.890 14.507 10.873 1.00 0.00 C ATOM 0 H LEU A 101 -13.606 13.652 14.147 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.263 13.590 11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.370 11.952 13.127 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.433 11.825 11.380 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.668 14.280 12.982 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.460 13.939 11.940 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.946 12.542 12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.064 12.460 11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.164 15.317 10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.834 13.891 9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.892 14.925 10.964 1.00 0.00 H new ATOM 1544 N ALA A 102 -15.111 10.925 13.156 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.932 9.720 13.131 1.00 0.00 C ATOM 1546 C ALA A 102 -17.416 10.067 13.082 1.00 0.00 C ATOM 1547 O ALA A 102 -18.219 9.319 12.526 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.630 8.851 14.343 1.00 0.00 C ATOM 0 H ALA A 102 -14.689 11.130 14.062 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.687 9.162 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.250 7.955 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.578 8.565 14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.845 9.410 15.254 1.00 0.00 H new ATOM 1554 N GLU A 103 -17.772 11.205 13.669 1.00 0.00 N ATOM 1555 CA GLU A 103 -19.161 11.649 13.693 1.00 0.00 C ATOM 1556 C GLU A 103 -19.755 11.653 12.288 1.00 0.00 C ATOM 1557 O GLU A 103 -20.933 11.346 12.099 1.00 0.00 O ATOM 1558 CB GLU A 103 -19.262 13.048 14.305 1.00 0.00 C ATOM 1559 CG GLU A 103 -19.004 13.078 15.802 1.00 0.00 C ATOM 1560 CD GLU A 103 -19.951 14.005 16.539 1.00 0.00 C ATOM 1561 OE1 GLU A 103 -20.451 14.962 15.911 1.00 0.00 O ATOM 1562 OE2 GLU A 103 -20.192 13.774 17.742 1.00 0.00 O ATOM 0 H GLU A 103 -17.119 11.836 14.134 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.729 10.950 14.307 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.548 13.705 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.256 13.451 14.108 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.102 12.070 16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.977 13.395 15.984 1.00 0.00 H new ATOM 1569 N VAL A 104 -18.933 12.003 11.304 1.00 0.00 N ATOM 1570 CA VAL A 104 -19.375 12.046 9.916 1.00 0.00 C ATOM 1571 C VAL A 104 -20.023 10.729 9.504 1.00 0.00 C ATOM 1572 O VAL A 104 -20.889 10.698 8.629 1.00 0.00 O ATOM 1573 CB VAL A 104 -18.205 12.350 8.962 1.00 0.00 C ATOM 1574 CG1 VAL A 104 -17.418 13.557 9.451 1.00 0.00 C ATOM 1575 CG2 VAL A 104 -17.301 11.135 8.824 1.00 0.00 C ATOM 0 H VAL A 104 -17.956 12.261 11.443 1.00 0.00 H new ATOM 0 HA VAL A 104 -20.110 12.848 9.844 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.612 12.585 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.595 13.757 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.074 14.426 9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -17.020 13.353 10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.480 11.368 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.900 10.867 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.874 10.298 8.425 1.00 0.00 H new ATOM 1585 N ILE A 105 -19.598 9.643 10.140 1.00 0.00 N ATOM 1586 CA ILE A 105 -20.138 8.322 9.841 1.00 0.00 C ATOM 1587 C ILE A 105 -21.363 8.022 10.698 1.00 0.00 C ATOM 1588 O ILE A 105 -22.401 7.599 10.189 1.00 0.00 O ATOM 1589 CB ILE A 105 -19.085 7.220 10.065 1.00 0.00 C ATOM 1590 CG1 ILE A 105 -17.871 7.453 9.164 1.00 0.00 C ATOM 1591 CG2 ILE A 105 -19.691 5.849 9.804 1.00 0.00 C ATOM 1592 CD1 ILE A 105 -18.185 7.347 7.688 1.00 0.00 C ATOM 0 H ILE A 105 -18.881 9.651 10.866 1.00 0.00 H new ATOM 0 HA ILE A 105 -20.427 8.329 8.790 1.00 0.00 H new ATOM 0 HB ILE A 105 -18.755 7.258 11.103 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -17.460 8.441 9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -17.097 6.728 9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -18.935 5.080 9.966 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -20.527 5.685 10.484 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -20.045 5.798 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -17.278 7.524 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -18.567 6.350 7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -18.936 8.091 7.421 1.00 0.00 H new ATOM 1604 N HIS A 106 -21.235 8.245 12.002 1.00 0.00 N ATOM 1605 CA HIS A 106 -22.332 8.000 12.931 1.00 0.00 C ATOM 1606 C HIS A 106 -23.603 8.707 12.468 1.00 0.00 C ATOM 1607 O HIS A 106 -23.572 9.521 11.545 1.00 0.00 O ATOM 1608 CB HIS A 106 -21.955 8.472 14.336 1.00 0.00 C ATOM 1609 CG HIS A 106 -21.236 7.435 15.142 1.00 0.00 C ATOM 1610 ND1 HIS A 106 -21.767 6.864 16.279 1.00 0.00 N ATOM 1611 CD2 HIS A 106 -20.020 6.865 14.970 1.00 0.00 C ATOM 1612 CE1 HIS A 106 -20.909 5.989 16.772 1.00 0.00 C ATOM 1613 NE2 HIS A 106 -19.840 5.971 15.996 1.00 0.00 N ATOM 0 H HIS A 106 -20.382 8.595 12.439 1.00 0.00 H new ATOM 0 HA HIS A 106 -22.522 6.927 12.956 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -21.326 9.359 14.256 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -22.860 8.769 14.866 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -19.321 7.075 14.174 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -21.056 5.390 17.659 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -19.015 5.388 16.136 1.00 0.00 H new ATOM 1621 N HIS A 107 -24.720 8.391 13.116 1.00 0.00 N ATOM 1622 CA HIS A 107 -26.001 8.996 12.771 1.00 0.00 C ATOM 1623 C HIS A 107 -26.385 8.672 11.330 1.00 0.00 C ATOM 1624 O HIS A 107 -26.888 9.529 10.603 1.00 0.00 O ATOM 1625 CB HIS A 107 -25.943 10.511 12.967 1.00 0.00 C ATOM 1626 CG HIS A 107 -25.512 10.921 14.342 1.00 0.00 C ATOM 1627 ND1 HIS A 107 -24.585 11.915 14.574 1.00 0.00 N ATOM 1628 CD2 HIS A 107 -25.887 10.466 15.560 1.00 0.00 C ATOM 1629 CE1 HIS A 107 -24.407 12.052 15.876 1.00 0.00 C ATOM 1630 NE2 HIS A 107 -25.186 11.185 16.497 1.00 0.00 N ATOM 0 H HIS A 107 -24.764 7.720 13.883 1.00 0.00 H new ATOM 0 HA HIS A 107 -26.761 8.580 13.433 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -25.255 10.937 12.237 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -26.927 10.934 12.762 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -26.604 9.683 15.758 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -23.738 12.754 16.352 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -25.256 11.068 17.508 1.00 0.00 H new ATOM 1638 N HIS A 108 -26.143 7.429 10.924 1.00 0.00 N ATOM 1639 CA HIS A 108 -26.463 6.992 9.569 1.00 0.00 C ATOM 1640 C HIS A 108 -26.194 5.500 9.402 1.00 0.00 C ATOM 1641 O HIS A 108 -27.051 4.754 8.928 1.00 0.00 O ATOM 1642 CB HIS A 108 -25.647 7.787 8.548 1.00 0.00 C ATOM 1643 CG HIS A 108 -26.350 7.981 7.241 1.00 0.00 C ATOM 1644 ND1 HIS A 108 -27.641 8.455 7.144 1.00 0.00 N ATOM 1645 CD2 HIS A 108 -25.935 7.764 5.971 1.00 0.00 C ATOM 1646 CE1 HIS A 108 -27.990 8.520 5.871 1.00 0.00 C ATOM 1647 NE2 HIS A 108 -26.972 8.106 5.139 1.00 0.00 N ATOM 0 H HIS A 108 -25.727 6.708 11.513 1.00 0.00 H new ATOM 0 HA HIS A 108 -27.524 7.174 9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.405 8.763 8.969 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.702 7.273 8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -24.968 7.391 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -28.945 8.855 5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -26.958 8.049 4.121 1.00 0.00 H new ATOM 1655 N HIS A 109 -24.998 5.071 9.795 1.00 0.00 N ATOM 1656 CA HIS A 109 -24.617 3.667 9.688 1.00 0.00 C ATOM 1657 C HIS A 109 -24.646 2.991 11.056 1.00 0.00 C ATOM 1658 O HIS A 109 -24.635 3.659 12.090 1.00 0.00 O ATOM 1659 CB HIS A 109 -23.223 3.541 9.073 1.00 0.00 C ATOM 1660 CG HIS A 109 -23.193 2.716 7.823 1.00 0.00 C ATOM 1661 ND1 HIS A 109 -23.142 3.265 6.560 1.00 0.00 N ATOM 1662 CD2 HIS A 109 -23.204 1.374 7.648 1.00 0.00 C ATOM 1663 CE1 HIS A 109 -23.125 2.297 5.661 1.00 0.00 C ATOM 1664 NE2 HIS A 109 -23.162 1.139 6.296 1.00 0.00 N ATOM 0 H HIS A 109 -24.277 5.675 10.190 1.00 0.00 H new ATOM 0 HA HIS A 109 -25.338 3.168 9.040 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -22.842 4.537 8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -22.549 3.099 9.807 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -23.239 0.627 8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -23.087 2.430 4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -23.160 0.220 5.854 1.00 0.00 H new ATOM 1672 N HIS A 110 -24.682 1.662 11.053 1.00 0.00 N ATOM 1673 CA HIS A 110 -24.712 0.896 12.294 1.00 0.00 C ATOM 1674 C HIS A 110 -24.351 -0.564 12.039 1.00 0.00 C ATOM 1675 O HIS A 110 -24.517 -1.071 10.930 1.00 0.00 O ATOM 1676 CB HIS A 110 -26.095 0.986 12.940 1.00 0.00 C ATOM 1677 CG HIS A 110 -27.187 0.397 12.102 1.00 0.00 C ATOM 1678 ND1 HIS A 110 -27.635 0.977 10.934 1.00 0.00 N ATOM 1679 CD2 HIS A 110 -27.922 -0.728 12.267 1.00 0.00 C ATOM 1680 CE1 HIS A 110 -28.599 0.235 10.418 1.00 0.00 C ATOM 1681 NE2 HIS A 110 -28.792 -0.806 11.208 1.00 0.00 N ATOM 0 H HIS A 110 -24.691 1.094 10.206 1.00 0.00 H new ATOM 0 HA HIS A 110 -23.974 1.322 12.973 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -26.071 0.475 13.903 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -26.326 2.032 13.140 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -27.839 -1.433 13.081 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -29.138 0.444 9.506 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -29.476 -1.547 11.056 1.00 0.00 H new ATOM 1689 N HIS A 111 -23.854 -1.235 13.074 1.00 0.00 N ATOM 1690 CA HIS A 111 -23.469 -2.637 12.962 1.00 0.00 C ATOM 1691 C HIS A 111 -23.122 -3.216 14.331 1.00 0.00 C ATOM 1692 O HIS A 111 -23.190 -2.521 15.345 1.00 0.00 O ATOM 1693 CB HIS A 111 -22.277 -2.786 12.016 1.00 0.00 C ATOM 1694 CG HIS A 111 -22.206 -4.126 11.349 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -22.295 -4.292 9.983 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -22.052 -5.366 11.868 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -22.200 -5.576 9.691 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -22.051 -6.250 10.817 1.00 0.00 N ATOM 0 H HIS A 111 -23.709 -0.830 13.999 1.00 0.00 H new ATOM 0 HA HIS A 111 -24.317 -3.190 12.557 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -22.331 -2.011 11.251 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -21.357 -2.618 12.575 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -21.949 -5.614 12.914 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -22.238 -6.003 8.700 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -21.951 -7.262 10.894 1.00 0.00 H new TER 1706 HIS A 111