USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 35 ASN : amide:sc= -1.77! C(o=-0.62!,f=-15!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 165:sc= 1.15 (180deg=-0.368) USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= -0.0117 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.391 (180deg=-0.667) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.01 X(o=-2,f=-1.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 25 MET CE :methyl 149:sc= -4.39! (180deg=-9.04!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0366 (180deg=-0.293) USER MOD Single : A 32 THR OG1 : rot 113:sc= 0.00702 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.187 K(o=-0.19,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.839) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.035 K(o=-0.035,f=-0.69) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.263 F(o=-2.2,f=-0.26) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= -1.77 (180deg=-5.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.325 -2.943 -1.434 1.00 0.00 N ATOM 2 CA MET A 1 0.184 -2.541 -2.740 1.00 0.00 C ATOM 3 C MET A 1 1.635 -2.978 -2.917 1.00 0.00 C ATOM 4 O MET A 1 2.506 -2.602 -2.133 1.00 0.00 O ATOM 5 CB MET A 1 0.071 -1.025 -2.911 1.00 0.00 C ATOM 6 CG MET A 1 0.578 -0.240 -1.712 1.00 0.00 C ATOM 7 SD MET A 1 0.786 1.515 -2.070 1.00 0.00 S ATOM 8 CE MET A 1 2.567 1.674 -1.961 1.00 0.00 C ATOM 0 H1 MET A 1 -1.070 -2.282 -1.133 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.718 -3.904 -1.495 1.00 0.00 H new ATOM 0 H3 MET A 1 0.450 -2.930 -0.740 1.00 0.00 H new ATOM 0 HA MET A 1 -0.420 -3.031 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.632 -0.724 -3.796 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.972 -0.764 -3.091 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.121 -0.358 -0.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.531 -0.656 -1.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.853 2.707 -2.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.897 1.391 -0.961 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.036 1.021 -2.697 1.00 0.00 H new ATOM 18 N ASP A 2 1.887 -3.774 -3.950 1.00 0.00 N ATOM 19 CA ASP A 2 3.232 -4.261 -4.230 1.00 0.00 C ATOM 20 C ASP A 2 3.852 -3.505 -5.401 1.00 0.00 C ATOM 21 O ASP A 2 4.239 -4.104 -6.403 1.00 0.00 O ATOM 22 CB ASP A 2 3.202 -5.760 -4.533 1.00 0.00 C ATOM 23 CG ASP A 2 4.510 -6.446 -4.192 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.739 -6.727 -2.997 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.305 -6.703 -5.121 1.00 0.00 O ATOM 0 H ASP A 2 1.177 -4.096 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 2 3.845 -4.089 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.393 -6.225 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.981 -5.910 -5.590 1.00 0.00 H new ATOM 30 N GLU A 3 3.941 -2.186 -5.266 1.00 0.00 N ATOM 31 CA GLU A 3 4.512 -1.348 -6.315 1.00 0.00 C ATOM 32 C GLU A 3 3.839 -1.623 -7.657 1.00 0.00 C ATOM 33 O GLU A 3 4.503 -1.948 -8.642 1.00 0.00 O ATOM 34 CB GLU A 3 6.018 -1.590 -6.428 1.00 0.00 C ATOM 35 CG GLU A 3 6.776 -1.324 -5.138 1.00 0.00 C ATOM 36 CD GLU A 3 7.072 0.148 -4.928 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.149 0.970 -5.109 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.225 0.479 -4.582 1.00 0.00 O ATOM 0 H GLU A 3 3.626 -1.675 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 3 4.338 -0.306 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.190 -2.622 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.422 -0.953 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.194 -1.697 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.713 -1.881 -5.150 1.00 0.00 H new ATOM 45 N THR A 4 2.517 -1.490 -7.687 1.00 0.00 N ATOM 46 CA THR A 4 1.753 -1.725 -8.906 1.00 0.00 C ATOM 47 C THR A 4 1.812 -0.517 -9.834 1.00 0.00 C ATOM 48 O THR A 4 1.876 -0.660 -11.054 1.00 0.00 O ATOM 49 CB THR A 4 0.280 -2.047 -8.593 1.00 0.00 C ATOM 50 OG1 THR A 4 -0.385 -0.875 -8.109 1.00 0.00 O ATOM 51 CG2 THR A 4 0.176 -3.158 -7.560 1.00 0.00 C ATOM 0 H THR A 4 1.953 -1.221 -6.881 1.00 0.00 H new ATOM 0 HA THR A 4 2.207 -2.583 -9.402 1.00 0.00 H new ATOM 0 HB THR A 4 -0.199 -2.383 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.322 -1.087 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.874 -3.368 -7.355 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.658 -4.058 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.670 -2.846 -6.640 1.00 0.00 H new ATOM 59 N GLY A 5 1.790 0.676 -9.246 1.00 0.00 N ATOM 60 CA GLY A 5 1.842 1.893 -10.035 1.00 0.00 C ATOM 61 C GLY A 5 0.791 1.921 -11.127 1.00 0.00 C ATOM 62 O GLY A 5 1.103 2.155 -12.294 1.00 0.00 O ATOM 0 H GLY A 5 1.737 0.821 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.704 2.753 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.831 1.989 -10.484 1.00 0.00 H new ATOM 66 N LYS A 6 -0.460 1.681 -10.747 1.00 0.00 N ATOM 67 CA LYS A 6 -1.562 1.680 -11.702 1.00 0.00 C ATOM 68 C LYS A 6 -2.302 3.014 -11.681 1.00 0.00 C ATOM 69 O LYS A 6 -2.351 3.721 -12.687 1.00 0.00 O ATOM 70 CB LYS A 6 -2.535 0.541 -11.387 1.00 0.00 C ATOM 71 CG LYS A 6 -1.850 -0.792 -11.140 1.00 0.00 C ATOM 72 CD LYS A 6 -1.096 -1.269 -12.370 1.00 0.00 C ATOM 73 CE LYS A 6 -2.046 -1.751 -13.455 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.320 -2.141 -14.695 1.00 0.00 N ATOM 0 H LYS A 6 -0.736 1.485 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.146 1.531 -12.698 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.121 0.808 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.235 0.432 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.159 -0.697 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.593 -1.537 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.481 -0.457 -12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.419 -2.077 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.617 -2.603 -13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.763 -0.963 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.003 -2.464 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.795 -1.322 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.654 -2.910 -14.480 1.00 0.00 H new ATOM 88 N GLU A 7 -2.873 3.351 -10.529 1.00 0.00 N ATOM 89 CA GLU A 7 -3.609 4.601 -10.379 1.00 0.00 C ATOM 90 C GLU A 7 -3.167 5.345 -9.123 1.00 0.00 C ATOM 91 O GLU A 7 -3.957 5.554 -8.201 1.00 0.00 O ATOM 92 CB GLU A 7 -5.114 4.329 -10.322 1.00 0.00 C ATOM 93 CG GLU A 7 -5.481 3.110 -9.492 1.00 0.00 C ATOM 94 CD GLU A 7 -6.966 2.807 -9.526 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.762 3.759 -9.669 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.333 1.619 -9.408 1.00 0.00 O ATOM 0 H GLU A 7 -2.840 2.777 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.393 5.226 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.617 5.204 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.489 4.194 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.929 2.245 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.170 3.271 -8.460 1.00 0.00 H new ATOM 103 N LEU A 8 -1.899 5.741 -9.092 1.00 0.00 N ATOM 104 CA LEU A 8 -1.350 6.462 -7.949 1.00 0.00 C ATOM 105 C LEU A 8 -1.540 7.967 -8.111 1.00 0.00 C ATOM 106 O LEU A 8 -1.410 8.504 -9.211 1.00 0.00 O ATOM 107 CB LEU A 8 0.136 6.139 -7.783 1.00 0.00 C ATOM 108 CG LEU A 8 0.461 4.802 -7.117 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.903 4.404 -7.394 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.205 4.876 -5.619 1.00 0.00 C ATOM 0 H LEU A 8 -1.232 5.575 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.887 6.141 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.603 6.155 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.597 6.935 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.193 4.039 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.116 3.450 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.054 4.309 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.573 5.168 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.442 3.915 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.833 5.651 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.844 5.114 -5.440 1.00 0.00 H new ATOM 122 N VAL A 9 -1.847 8.642 -7.008 1.00 0.00 N ATOM 123 CA VAL A 9 -2.051 10.085 -7.027 1.00 0.00 C ATOM 124 C VAL A 9 -1.028 10.797 -6.149 1.00 0.00 C ATOM 125 O VAL A 9 -0.723 10.348 -5.043 1.00 0.00 O ATOM 126 CB VAL A 9 -3.468 10.458 -6.551 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.501 10.081 -7.601 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.776 9.786 -5.222 1.00 0.00 C ATOM 0 H VAL A 9 -1.960 8.212 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.926 10.408 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.512 11.537 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.496 10.352 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.288 10.613 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.461 9.007 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.781 10.060 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.715 8.704 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.054 10.112 -4.474 1.00 0.00 H new ATOM 138 N LEU A 10 -0.500 11.909 -6.648 1.00 0.00 N ATOM 139 CA LEU A 10 0.490 12.685 -5.909 1.00 0.00 C ATOM 140 C LEU A 10 -0.153 13.900 -5.249 1.00 0.00 C ATOM 141 O LEU A 10 -0.973 14.588 -5.857 1.00 0.00 O ATOM 142 CB LEU A 10 1.616 13.133 -6.842 1.00 0.00 C ATOM 143 CG LEU A 10 2.791 13.853 -6.179 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.884 12.863 -5.810 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.337 14.938 -7.095 1.00 0.00 C ATOM 0 H LEU A 10 -0.741 12.294 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 10 0.906 12.048 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.000 12.256 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.192 13.793 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 10 2.434 14.325 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.712 13.394 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.486 12.123 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.239 12.361 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.173 15.440 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.678 14.489 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.552 15.664 -7.308 1.00 0.00 H new ATOM 157 N ALA A 11 0.226 14.160 -4.002 1.00 0.00 N ATOM 158 CA ALA A 11 -0.310 15.295 -3.261 1.00 0.00 C ATOM 159 C ALA A 11 0.449 16.575 -3.592 1.00 0.00 C ATOM 160 O ALA A 11 1.676 16.624 -3.497 1.00 0.00 O ATOM 161 CB ALA A 11 -0.259 15.020 -1.765 1.00 0.00 C ATOM 0 H ALA A 11 0.903 13.600 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.349 15.433 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.662 15.876 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.852 14.134 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.774 14.853 -1.461 1.00 0.00 H new ATOM 167 N LEU A 12 -0.287 17.609 -3.982 1.00 0.00 N ATOM 168 CA LEU A 12 0.317 18.891 -4.329 1.00 0.00 C ATOM 169 C LEU A 12 0.395 19.804 -3.109 1.00 0.00 C ATOM 170 O LEU A 12 1.329 20.594 -2.972 1.00 0.00 O ATOM 171 CB LEU A 12 -0.486 19.572 -5.439 1.00 0.00 C ATOM 172 CG LEU A 12 -0.603 18.799 -6.753 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.623 19.457 -7.669 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.751 18.705 -7.440 1.00 0.00 C ATOM 0 H LEU A 12 -1.303 17.585 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 12 1.330 18.703 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.491 19.768 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.030 20.539 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.944 17.788 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.693 18.894 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.596 19.471 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.311 20.479 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.648 18.152 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.122 19.708 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.455 18.188 -6.788 1.00 0.00 H new ATOM 186 N TYR A 13 -0.590 19.688 -2.226 1.00 0.00 N ATOM 187 CA TYR A 13 -0.633 20.502 -1.017 1.00 0.00 C ATOM 188 C TYR A 13 -0.580 19.628 0.232 1.00 0.00 C ATOM 189 O TYR A 13 -0.600 18.400 0.145 1.00 0.00 O ATOM 190 CB TYR A 13 -1.899 21.360 -1.000 1.00 0.00 C ATOM 191 CG TYR A 13 -1.978 22.348 -2.141 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.370 21.943 -3.411 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.658 23.687 -1.950 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.442 22.842 -4.457 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.729 24.593 -2.990 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.121 24.166 -4.242 1.00 0.00 C ATOM 197 OH TYR A 13 -2.192 25.066 -5.281 1.00 0.00 O ATOM 0 H TYR A 13 -1.370 19.038 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 13 0.240 21.154 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.771 20.707 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.946 21.903 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.623 20.907 -3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.349 24.025 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.748 22.510 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.479 25.630 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.935 25.956 -4.961 1.00 0.00 H new ATOM 207 N ASP A 14 -0.512 20.270 1.393 1.00 0.00 N ATOM 208 CA ASP A 14 -0.458 19.552 2.661 1.00 0.00 C ATOM 209 C ASP A 14 -1.833 19.507 3.320 1.00 0.00 C ATOM 210 O ASP A 14 -2.572 20.492 3.304 1.00 0.00 O ATOM 211 CB ASP A 14 0.551 20.212 3.602 1.00 0.00 C ATOM 212 CG ASP A 14 0.325 21.705 3.737 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.558 22.433 2.749 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.085 22.146 4.831 1.00 0.00 O ATOM 0 H ASP A 14 -0.493 21.286 1.482 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.139 18.530 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.484 19.747 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.560 20.032 3.232 1.00 0.00 H new ATOM 219 N TYR A 15 -2.170 18.359 3.897 1.00 0.00 N ATOM 220 CA TYR A 15 -3.457 18.185 4.558 1.00 0.00 C ATOM 221 C TYR A 15 -3.301 17.404 5.859 1.00 0.00 C ATOM 222 O TYR A 15 -2.283 16.749 6.083 1.00 0.00 O ATOM 223 CB TYR A 15 -4.436 17.462 3.631 1.00 0.00 C ATOM 224 CG TYR A 15 -5.874 17.534 4.094 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.549 18.748 4.142 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.557 16.389 4.485 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.862 18.819 4.565 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.871 16.450 4.908 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.519 17.667 4.946 1.00 0.00 C ATOM 230 OH TYR A 15 -9.827 17.732 5.369 1.00 0.00 O ATOM 0 H TYR A 15 -1.569 17.535 3.920 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.852 19.173 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.363 17.892 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.141 16.416 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.038 19.651 3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.052 15.435 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.371 19.771 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.388 15.550 5.207 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.141 16.833 5.600 1.00 0.00 H new ATOM 240 N GLN A 16 -4.316 17.479 6.713 1.00 0.00 N ATOM 241 CA GLN A 16 -4.292 16.780 7.992 1.00 0.00 C ATOM 242 C GLN A 16 -5.554 15.945 8.180 1.00 0.00 C ATOM 243 O GLN A 16 -6.614 16.278 7.652 1.00 0.00 O ATOM 244 CB GLN A 16 -4.152 17.780 9.141 1.00 0.00 C ATOM 245 CG GLN A 16 -5.060 18.992 9.008 1.00 0.00 C ATOM 246 CD GLN A 16 -6.528 18.638 9.142 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.964 18.131 10.176 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.300 18.906 8.095 1.00 0.00 N ATOM 0 H GLN A 16 -5.166 18.017 6.542 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.432 16.111 7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.372 17.274 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.117 18.116 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.796 19.725 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.891 19.464 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.896 19.327 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.297 18.691 8.128 1.00 0.00 H new ATOM 257 N GLU A 17 -5.432 14.858 8.936 1.00 0.00 N ATOM 258 CA GLU A 17 -6.563 13.975 9.192 1.00 0.00 C ATOM 259 C GLU A 17 -7.214 14.299 10.533 1.00 0.00 C ATOM 260 O GLU A 17 -6.546 14.340 11.567 1.00 0.00 O ATOM 261 CB GLU A 17 -6.113 12.513 9.171 1.00 0.00 C ATOM 262 CG GLU A 17 -5.132 12.163 10.278 1.00 0.00 C ATOM 263 CD GLU A 17 -4.530 10.781 10.109 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.396 10.331 8.951 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.194 10.150 11.132 1.00 0.00 O ATOM 0 H GLU A 17 -4.561 14.568 9.381 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.299 14.132 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.989 11.870 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.652 12.297 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.332 12.904 10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.641 12.218 11.240 1.00 0.00 H new ATOM 272 N LYS A 18 -8.522 14.530 10.509 1.00 0.00 N ATOM 273 CA LYS A 18 -9.266 14.851 11.722 1.00 0.00 C ATOM 274 C LYS A 18 -10.376 13.834 11.964 1.00 0.00 C ATOM 275 O LYS A 18 -10.607 13.410 13.096 1.00 0.00 O ATOM 276 CB LYS A 18 -9.860 16.257 11.623 1.00 0.00 C ATOM 277 CG LYS A 18 -10.525 16.545 10.288 1.00 0.00 C ATOM 278 CD LYS A 18 -11.288 17.858 10.316 1.00 0.00 C ATOM 279 CE LYS A 18 -12.470 17.837 9.359 1.00 0.00 C ATOM 280 NZ LYS A 18 -12.100 18.347 8.009 1.00 0.00 N ATOM 0 H LYS A 18 -9.090 14.501 9.662 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.574 14.814 12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.592 16.390 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.070 16.989 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.769 16.580 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.207 15.732 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.642 18.053 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.618 18.675 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.848 16.818 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.279 18.443 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.932 18.317 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.763 19.328 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.346 17.753 7.608 1.00 0.00 H new ATOM 294 N SER A 19 -11.061 13.445 10.892 1.00 0.00 N ATOM 295 CA SER A 19 -12.149 12.479 10.989 1.00 0.00 C ATOM 296 C SER A 19 -11.605 11.058 11.105 1.00 0.00 C ATOM 297 O SER A 19 -10.455 10.777 10.769 1.00 0.00 O ATOM 298 CB SER A 19 -13.066 12.588 9.770 1.00 0.00 C ATOM 299 OG SER A 19 -12.825 13.789 9.056 1.00 0.00 O ATOM 0 H SER A 19 -10.881 13.784 9.947 1.00 0.00 H new ATOM 0 HA SER A 19 -12.723 12.704 11.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.907 11.733 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.107 12.554 10.090 1.00 0.00 H new ATOM 0 HG SER A 19 -13.422 13.834 8.280 1.00 0.00 H new ATOM 305 N PRO A 20 -12.452 10.140 11.594 1.00 0.00 N ATOM 306 CA PRO A 20 -12.080 8.733 11.766 1.00 0.00 C ATOM 307 C PRO A 20 -11.911 8.010 10.434 1.00 0.00 C ATOM 308 O PRO A 20 -11.451 6.870 10.389 1.00 0.00 O ATOM 309 CB PRO A 20 -13.260 8.147 12.546 1.00 0.00 C ATOM 310 CG PRO A 20 -14.412 9.029 12.209 1.00 0.00 C ATOM 311 CD PRO A 20 -13.838 10.405 12.015 1.00 0.00 C ATOM 0 HA PRO A 20 -11.120 8.625 12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.453 7.115 12.255 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.064 8.144 13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.915 8.685 11.305 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.153 9.025 13.008 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.387 10.967 11.259 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.874 10.989 12.935 1.00 0.00 H new ATOM 319 N ARG A 21 -12.286 8.682 9.350 1.00 0.00 N ATOM 320 CA ARG A 21 -12.176 8.104 8.016 1.00 0.00 C ATOM 321 C ARG A 21 -11.389 9.024 7.088 1.00 0.00 C ATOM 322 O ARG A 21 -11.856 9.374 6.004 1.00 0.00 O ATOM 323 CB ARG A 21 -13.567 7.842 7.435 1.00 0.00 C ATOM 324 CG ARG A 21 -14.199 6.551 7.927 1.00 0.00 C ATOM 325 CD ARG A 21 -13.409 5.334 7.471 1.00 0.00 C ATOM 326 NE ARG A 21 -14.162 4.095 7.646 1.00 0.00 N ATOM 327 CZ ARG A 21 -15.199 3.753 6.890 1.00 0.00 C ATOM 328 NH1 ARG A 21 -15.604 4.553 5.913 1.00 0.00 N ATOM 329 NH2 ARG A 21 -15.834 2.609 7.110 1.00 0.00 N ATOM 0 H ARG A 21 -12.669 9.627 9.370 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.641 7.158 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.221 8.676 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.497 7.811 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.254 6.563 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.222 6.481 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.140 5.449 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.478 5.275 8.034 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.876 3.458 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.119 5.433 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.401 4.288 5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.526 1.991 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.630 2.348 6.529 1.00 0.00 H new ATOM 343 N GLU A 22 -10.194 9.412 7.521 1.00 0.00 N ATOM 344 CA GLU A 22 -9.344 10.293 6.728 1.00 0.00 C ATOM 345 C GLU A 22 -7.868 9.984 6.967 1.00 0.00 C ATOM 346 O GLU A 22 -7.481 9.552 8.052 1.00 0.00 O ATOM 347 CB GLU A 22 -9.631 11.757 7.067 1.00 0.00 C ATOM 348 CG GLU A 22 -10.732 12.373 6.220 1.00 0.00 C ATOM 349 CD GLU A 22 -10.924 13.851 6.498 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.161 14.406 7.316 1.00 0.00 O ATOM 351 OE2 GLU A 22 -11.839 14.453 5.897 1.00 0.00 O ATOM 0 H GLU A 22 -9.793 9.131 8.415 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.568 10.121 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.909 11.830 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.717 12.337 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.495 12.233 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.668 11.847 6.409 1.00 0.00 H new ATOM 358 N VAL A 23 -7.050 10.209 5.944 1.00 0.00 N ATOM 359 CA VAL A 23 -5.617 9.956 6.041 1.00 0.00 C ATOM 360 C VAL A 23 -4.820 11.246 5.881 1.00 0.00 C ATOM 361 O VAL A 23 -5.276 12.197 5.246 1.00 0.00 O ATOM 362 CB VAL A 23 -5.153 8.943 4.978 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.576 7.533 5.364 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.701 9.317 3.610 1.00 0.00 C ATOM 0 H VAL A 23 -7.355 10.566 5.038 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.435 9.540 7.032 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.065 8.969 4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.240 6.831 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.130 7.269 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.662 7.488 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.363 8.590 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.790 9.321 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.343 10.309 3.333 1.00 0.00 H new ATOM 374 N THR A 24 -3.623 11.271 6.460 1.00 0.00 N ATOM 375 CA THR A 24 -2.761 12.443 6.383 1.00 0.00 C ATOM 376 C THR A 24 -1.920 12.424 5.112 1.00 0.00 C ATOM 377 O THR A 24 -1.275 11.424 4.798 1.00 0.00 O ATOM 378 CB THR A 24 -1.825 12.534 7.603 1.00 0.00 C ATOM 379 OG1 THR A 24 -2.595 12.538 8.811 1.00 0.00 O ATOM 380 CG2 THR A 24 -0.970 13.791 7.537 1.00 0.00 C ATOM 0 H THR A 24 -3.229 10.492 6.988 1.00 0.00 H new ATOM 0 HA THR A 24 -3.414 13.315 6.370 1.00 0.00 H new ATOM 0 HB THR A 24 -1.167 11.665 7.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.993 12.594 9.582 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.317 13.833 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.364 13.772 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.615 14.670 7.524 1.00 0.00 H new ATOM 388 N MET A 25 -1.930 13.536 4.384 1.00 0.00 N ATOM 389 CA MET A 25 -1.165 13.646 3.147 1.00 0.00 C ATOM 390 C MET A 25 -0.370 14.948 3.113 1.00 0.00 C ATOM 391 O MET A 25 -0.825 15.978 3.612 1.00 0.00 O ATOM 392 CB MET A 25 -2.098 13.573 1.937 1.00 0.00 C ATOM 393 CG MET A 25 -3.234 14.582 1.984 1.00 0.00 C ATOM 394 SD MET A 25 -3.974 14.870 0.365 1.00 0.00 S ATOM 395 CE MET A 25 -4.101 13.194 -0.252 1.00 0.00 C ATOM 0 H MET A 25 -2.459 14.373 4.629 1.00 0.00 H new ATOM 0 HA MET A 25 -0.464 12.812 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.516 13.735 1.030 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.517 12.569 1.872 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.001 14.228 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.861 15.526 2.382 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.965 13.113 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.197 12.941 -0.806 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.218 12.506 0.585 1.00 0.00 H new ATOM 405 N LYS A 26 0.819 14.895 2.523 1.00 0.00 N ATOM 406 CA LYS A 26 1.677 16.069 2.423 1.00 0.00 C ATOM 407 C LYS A 26 2.162 16.268 0.991 1.00 0.00 C ATOM 408 O LYS A 26 2.384 15.303 0.260 1.00 0.00 O ATOM 409 CB LYS A 26 2.875 15.932 3.364 1.00 0.00 C ATOM 410 CG LYS A 26 4.055 16.807 2.978 1.00 0.00 C ATOM 411 CD LYS A 26 5.039 16.957 4.127 1.00 0.00 C ATOM 412 CE LYS A 26 5.690 15.628 4.480 1.00 0.00 C ATOM 413 NZ LYS A 26 6.753 15.788 5.510 1.00 0.00 N ATOM 0 H LYS A 26 1.211 14.050 2.106 1.00 0.00 H new ATOM 0 HA LYS A 26 1.092 16.941 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.562 16.185 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.196 14.890 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.564 16.374 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.696 17.790 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.809 17.680 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.522 17.354 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.930 14.937 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.119 15.183 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.172 14.860 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.491 16.427 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.340 16.188 6.376 1.00 0.00 H new ATOM 427 N LYS A 27 2.326 17.526 0.596 1.00 0.00 N ATOM 428 CA LYS A 27 2.788 17.853 -0.748 1.00 0.00 C ATOM 429 C LYS A 27 4.042 17.059 -1.100 1.00 0.00 C ATOM 430 O LYS A 27 5.131 17.350 -0.609 1.00 0.00 O ATOM 431 CB LYS A 27 3.073 19.352 -0.862 1.00 0.00 C ATOM 432 CG LYS A 27 3.840 19.917 0.321 1.00 0.00 C ATOM 433 CD LYS A 27 2.978 20.858 1.147 1.00 0.00 C ATOM 434 CE LYS A 27 2.772 22.189 0.440 1.00 0.00 C ATOM 435 NZ LYS A 27 4.038 22.967 0.343 1.00 0.00 N ATOM 0 H LYS A 27 2.146 18.337 1.188 1.00 0.00 H new ATOM 0 HA LYS A 27 1.999 17.585 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.640 19.537 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.128 19.886 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.194 19.100 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.722 20.449 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.011 20.393 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.448 21.028 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.377 22.012 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.026 22.774 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.818 23.964 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.557 22.900 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.624 22.582 -0.425 1.00 0.00 H new ATOM 449 N GLY A 28 3.880 16.054 -1.957 1.00 0.00 N ATOM 450 CA GLY A 28 5.008 15.235 -2.361 1.00 0.00 C ATOM 451 C GLY A 28 4.760 13.757 -2.137 1.00 0.00 C ATOM 452 O GLY A 28 5.453 12.911 -2.704 1.00 0.00 O ATOM 0 H GLY A 28 2.988 15.793 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.220 15.409 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.893 15.540 -1.803 1.00 0.00 H new ATOM 456 N ASP A 29 3.770 13.443 -1.308 1.00 0.00 N ATOM 457 CA ASP A 29 3.433 12.056 -1.010 1.00 0.00 C ATOM 458 C ASP A 29 2.634 11.434 -2.151 1.00 0.00 C ATOM 459 O ASP A 29 2.185 12.132 -3.060 1.00 0.00 O ATOM 460 CB ASP A 29 2.636 11.971 0.293 1.00 0.00 C ATOM 461 CG ASP A 29 3.530 11.932 1.516 1.00 0.00 C ATOM 462 OD1 ASP A 29 4.614 11.317 1.439 1.00 0.00 O ATOM 463 OD2 ASP A 29 3.145 12.515 2.552 1.00 0.00 O ATOM 0 H ASP A 29 3.187 14.130 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 29 4.363 11.499 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.967 12.828 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.010 11.079 0.275 1.00 0.00 H new ATOM 468 N ILE A 30 2.462 10.117 -2.097 1.00 0.00 N ATOM 469 CA ILE A 30 1.718 9.402 -3.126 1.00 0.00 C ATOM 470 C ILE A 30 0.842 8.314 -2.514 1.00 0.00 C ATOM 471 O ILE A 30 1.251 7.624 -1.580 1.00 0.00 O ATOM 472 CB ILE A 30 2.662 8.763 -4.162 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.530 9.835 -4.822 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.862 8.003 -5.209 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.653 9.270 -5.663 1.00 0.00 C ATOM 0 H ILE A 30 2.828 9.524 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 30 1.086 10.136 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 30 3.316 8.057 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.900 10.466 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.953 10.475 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.543 7.557 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.282 7.217 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.187 8.689 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.227 10.087 -6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.306 8.662 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.236 8.653 -6.459 1.00 0.00 H new ATOM 487 N LEU A 31 -0.366 8.165 -3.048 1.00 0.00 N ATOM 488 CA LEU A 31 -1.301 7.159 -2.556 1.00 0.00 C ATOM 489 C LEU A 31 -1.943 6.401 -3.714 1.00 0.00 C ATOM 490 O LEU A 31 -1.850 6.815 -4.870 1.00 0.00 O ATOM 491 CB LEU A 31 -2.383 7.816 -1.699 1.00 0.00 C ATOM 492 CG LEU A 31 -1.934 9.002 -0.844 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.043 10.299 -1.631 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.758 9.081 0.433 1.00 0.00 C ATOM 0 H LEU A 31 -0.721 8.728 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.744 6.449 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.185 8.151 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.806 7.058 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.889 8.853 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.719 11.132 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.410 10.242 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.078 10.454 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.425 9.931 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.811 9.206 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.629 8.163 1.006 1.00 0.00 H new ATOM 506 N THR A 32 -2.599 5.289 -3.395 1.00 0.00 N ATOM 507 CA THR A 32 -3.258 4.474 -4.407 1.00 0.00 C ATOM 508 C THR A 32 -4.719 4.876 -4.571 1.00 0.00 C ATOM 509 O THR A 32 -5.544 4.632 -3.689 1.00 0.00 O ATOM 510 CB THR A 32 -3.187 2.976 -4.056 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.827 2.592 -3.820 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.772 2.129 -5.176 1.00 0.00 C ATOM 0 H THR A 32 -2.688 4.933 -2.443 1.00 0.00 H new ATOM 0 HA THR A 32 -2.729 4.646 -5.344 1.00 0.00 H new ATOM 0 HB THR A 32 -3.773 2.809 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.713 2.354 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.711 1.075 -4.905 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.815 2.403 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.210 2.301 -6.094 1.00 0.00 H new ATOM 520 N LEU A 33 -5.034 5.494 -5.704 1.00 0.00 N ATOM 521 CA LEU A 33 -6.398 5.931 -5.984 1.00 0.00 C ATOM 522 C LEU A 33 -7.348 4.740 -6.049 1.00 0.00 C ATOM 523 O LEU A 33 -7.350 3.985 -7.023 1.00 0.00 O ATOM 524 CB LEU A 33 -6.445 6.708 -7.301 1.00 0.00 C ATOM 525 CG LEU A 33 -7.520 7.791 -7.403 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.899 7.199 -7.155 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.237 8.918 -6.420 1.00 0.00 C ATOM 0 H LEU A 33 -4.364 5.704 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.718 6.584 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.472 7.174 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.595 5.997 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.500 8.202 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.651 7.984 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.103 6.428 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.933 6.760 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.012 9.680 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.229 8.522 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.267 9.361 -6.644 1.00 0.00 H new ATOM 539 N LEU A 34 -8.157 4.577 -5.008 1.00 0.00 N ATOM 540 CA LEU A 34 -9.115 3.479 -4.947 1.00 0.00 C ATOM 541 C LEU A 34 -10.452 3.888 -5.556 1.00 0.00 C ATOM 542 O LEU A 34 -11.060 3.129 -6.310 1.00 0.00 O ATOM 543 CB LEU A 34 -9.318 3.032 -3.498 1.00 0.00 C ATOM 544 CG LEU A 34 -9.356 1.522 -3.260 1.00 0.00 C ATOM 545 CD1 LEU A 34 -7.946 0.960 -3.170 1.00 0.00 C ATOM 546 CD2 LEU A 34 -10.142 1.201 -1.997 1.00 0.00 C ATOM 0 H LEU A 34 -8.169 5.192 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.713 2.647 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.516 3.455 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.252 3.461 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.858 1.053 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.993 -0.116 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.415 1.158 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.417 1.435 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.159 0.122 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.668 1.682 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.163 1.569 -2.101 1.00 0.00 H new ATOM 558 N ASN A 35 -10.903 5.094 -5.226 1.00 0.00 N ATOM 559 CA ASN A 35 -12.167 5.605 -5.743 1.00 0.00 C ATOM 560 C ASN A 35 -12.057 7.089 -6.080 1.00 0.00 C ATOM 561 O ASN A 35 -11.628 7.894 -5.253 1.00 0.00 O ATOM 562 CB ASN A 35 -13.286 5.384 -4.722 1.00 0.00 C ATOM 563 CG ASN A 35 -14.646 5.784 -5.260 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.413 6.475 -4.589 1.00 0.00 O ATOM 565 ND2 ASN A 35 -14.952 5.349 -6.477 1.00 0.00 N ATOM 0 H ASN A 35 -10.412 5.735 -4.603 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.404 5.060 -6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.308 4.333 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.071 5.959 -3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.854 5.585 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.285 4.779 -6.997 1.00 0.00 H new ATOM 572 N SER A 36 -12.448 7.444 -7.300 1.00 0.00 N ATOM 573 CA SER A 36 -12.390 8.830 -7.748 1.00 0.00 C ATOM 574 C SER A 36 -13.744 9.285 -8.283 1.00 0.00 C ATOM 575 O SER A 36 -13.845 10.301 -8.971 1.00 0.00 O ATOM 576 CB SER A 36 -11.320 8.994 -8.830 1.00 0.00 C ATOM 577 OG SER A 36 -11.064 7.764 -9.485 1.00 0.00 O ATOM 0 H SER A 36 -12.808 6.791 -7.996 1.00 0.00 H new ATOM 0 HA SER A 36 -12.129 9.452 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.646 9.736 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.400 9.369 -8.382 1.00 0.00 H new ATOM 0 HG SER A 36 -10.378 7.896 -10.173 1.00 0.00 H new ATOM 583 N THR A 37 -14.786 8.524 -7.962 1.00 0.00 N ATOM 584 CA THR A 37 -16.135 8.846 -8.411 1.00 0.00 C ATOM 585 C THR A 37 -16.509 10.278 -8.044 1.00 0.00 C ATOM 586 O THR A 37 -17.264 10.934 -8.760 1.00 0.00 O ATOM 587 CB THR A 37 -17.174 7.885 -7.803 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.458 8.113 -8.395 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.265 8.069 -6.296 1.00 0.00 C ATOM 0 H THR A 37 -14.721 7.680 -7.393 1.00 0.00 H new ATOM 0 HA THR A 37 -16.141 8.738 -9.496 1.00 0.00 H new ATOM 0 HB THR A 37 -16.855 6.863 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.112 7.497 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.005 7.380 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.294 7.866 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.562 9.094 -6.072 1.00 0.00 H new ATOM 597 N ASN A 38 -15.975 10.756 -6.925 1.00 0.00 N ATOM 598 CA ASN A 38 -16.253 12.111 -6.464 1.00 0.00 C ATOM 599 C ASN A 38 -15.253 13.102 -7.052 1.00 0.00 C ATOM 600 O ASN A 38 -14.281 12.711 -7.699 1.00 0.00 O ATOM 601 CB ASN A 38 -16.208 12.171 -4.936 1.00 0.00 C ATOM 602 CG ASN A 38 -17.405 12.896 -4.351 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.126 13.600 -5.059 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.622 12.727 -3.051 1.00 0.00 N ATOM 0 H ASN A 38 -15.348 10.225 -6.321 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.252 12.385 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.169 11.158 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.293 12.673 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.412 13.190 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.999 12.134 -2.503 1.00 0.00 H new ATOM 611 N LYS A 39 -15.497 14.388 -6.823 1.00 0.00 N ATOM 612 CA LYS A 39 -14.619 15.436 -7.327 1.00 0.00 C ATOM 613 C LYS A 39 -13.987 16.216 -6.178 1.00 0.00 C ATOM 614 O LYS A 39 -12.987 16.911 -6.363 1.00 0.00 O ATOM 615 CB LYS A 39 -15.397 16.389 -8.237 1.00 0.00 C ATOM 616 CG LYS A 39 -15.875 15.743 -9.527 1.00 0.00 C ATOM 617 CD LYS A 39 -16.672 16.718 -10.377 1.00 0.00 C ATOM 618 CE LYS A 39 -18.101 16.857 -9.874 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.867 17.870 -10.653 1.00 0.00 N ATOM 0 H LYS A 39 -16.297 14.729 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.824 14.963 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.259 16.775 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.765 17.243 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.017 15.382 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.491 14.875 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.185 17.693 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.681 16.377 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.604 15.892 -9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.090 17.141 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.836 17.935 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.401 18.796 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.900 17.587 -11.653 1.00 0.00 H new ATOM 633 N ASP A 40 -14.576 16.096 -4.994 1.00 0.00 N ATOM 634 CA ASP A 40 -14.069 16.788 -3.814 1.00 0.00 C ATOM 635 C ASP A 40 -13.293 15.832 -2.914 1.00 0.00 C ATOM 636 O ASP A 40 -12.137 16.084 -2.574 1.00 0.00 O ATOM 637 CB ASP A 40 -15.222 17.421 -3.034 1.00 0.00 C ATOM 638 CG ASP A 40 -16.144 18.235 -3.921 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.633 19.006 -4.760 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.377 18.099 -3.776 1.00 0.00 O ATOM 0 H ASP A 40 -15.405 15.526 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.391 17.574 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.796 16.637 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.818 18.062 -2.250 1.00 0.00 H new ATOM 645 N TRP A 41 -13.937 14.735 -2.531 1.00 0.00 N ATOM 646 CA TRP A 41 -13.308 13.741 -1.669 1.00 0.00 C ATOM 647 C TRP A 41 -12.891 12.512 -2.469 1.00 0.00 C ATOM 648 O TRP A 41 -13.703 11.918 -3.178 1.00 0.00 O ATOM 649 CB TRP A 41 -14.262 13.333 -0.545 1.00 0.00 C ATOM 650 CG TRP A 41 -14.469 14.409 0.478 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.605 15.140 0.680 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.514 14.876 1.436 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.413 16.033 1.706 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.138 15.890 2.188 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.192 14.534 1.734 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -13.485 16.565 3.215 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -11.544 15.205 2.754 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.191 16.210 3.486 1.00 0.00 C ATOM 0 H TRP A 41 -14.894 14.512 -2.804 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.415 14.188 -1.233 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.225 13.062 -0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -13.871 12.443 -0.052 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.520 15.032 0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.107 16.695 2.053 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.686 13.759 1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -13.982 17.341 3.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -10.522 14.950 2.991 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.658 16.714 4.279 1.00 0.00 H new ATOM 669 N TRP A 42 -11.622 12.138 -2.351 1.00 0.00 N ATOM 670 CA TRP A 42 -11.099 10.978 -3.065 1.00 0.00 C ATOM 671 C TRP A 42 -10.655 9.894 -2.089 1.00 0.00 C ATOM 672 O TRP A 42 -10.042 10.182 -1.061 1.00 0.00 O ATOM 673 CB TRP A 42 -9.926 11.390 -3.957 1.00 0.00 C ATOM 674 CG TRP A 42 -10.350 11.860 -5.315 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.629 12.064 -5.750 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.494 12.184 -6.416 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.619 12.494 -7.055 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.322 12.577 -7.486 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.109 12.182 -6.602 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.808 12.962 -8.722 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.601 12.564 -7.829 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.448 12.950 -8.875 1.00 0.00 C ATOM 0 H TRP A 42 -10.937 12.620 -1.769 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.897 10.575 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.365 12.184 -3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.249 10.543 -4.068 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.517 11.910 -5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.444 12.715 -7.612 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.447 11.887 -5.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.459 13.259 -9.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.532 12.565 -7.984 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.019 13.244 -9.822 1.00 0.00 H new ATOM 693 N LYS A 43 -10.967 8.645 -2.418 1.00 0.00 N ATOM 694 CA LYS A 43 -10.599 7.516 -1.572 1.00 0.00 C ATOM 695 C LYS A 43 -9.304 6.872 -2.057 1.00 0.00 C ATOM 696 O LYS A 43 -9.284 6.190 -3.082 1.00 0.00 O ATOM 697 CB LYS A 43 -11.723 6.477 -1.555 1.00 0.00 C ATOM 698 CG LYS A 43 -13.113 7.086 -1.503 1.00 0.00 C ATOM 699 CD LYS A 43 -14.186 6.017 -1.386 1.00 0.00 C ATOM 700 CE LYS A 43 -15.564 6.629 -1.185 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.822 7.740 -2.142 1.00 0.00 N ATOM 0 H LYS A 43 -11.474 8.389 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.442 7.889 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.642 5.852 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.589 5.823 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.182 7.766 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.285 7.679 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.188 5.402 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.954 5.358 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.325 5.859 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.651 7.001 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.838 7.961 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.288 8.582 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.521 7.454 -3.095 1.00 0.00 H new ATOM 715 N VAL A 44 -8.225 7.091 -1.313 1.00 0.00 N ATOM 716 CA VAL A 44 -6.926 6.529 -1.666 1.00 0.00 C ATOM 717 C VAL A 44 -6.415 5.597 -0.573 1.00 0.00 C ATOM 718 O VAL A 44 -6.746 5.761 0.601 1.00 0.00 O ATOM 719 CB VAL A 44 -5.883 7.637 -1.909 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.050 8.231 -3.299 1.00 0.00 C ATOM 721 CG2 VAL A 44 -5.994 8.715 -0.842 1.00 0.00 C ATOM 0 H VAL A 44 -8.224 7.653 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.066 5.962 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.888 7.197 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.305 9.012 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.917 7.450 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.048 8.658 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.250 9.490 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.991 9.155 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.820 8.274 0.140 1.00 0.00 H new ATOM 731 N GLU A 45 -5.608 4.618 -0.968 1.00 0.00 N ATOM 732 CA GLU A 45 -5.051 3.658 -0.022 1.00 0.00 C ATOM 733 C GLU A 45 -3.636 4.055 0.387 1.00 0.00 C ATOM 734 O GLU A 45 -2.830 4.470 -0.447 1.00 0.00 O ATOM 735 CB GLU A 45 -5.044 2.254 -0.629 1.00 0.00 C ATOM 736 CG GLU A 45 -5.198 1.145 0.398 1.00 0.00 C ATOM 737 CD GLU A 45 -4.988 -0.234 -0.196 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.827 -0.581 -0.495 1.00 0.00 O ATOM 739 OE2 GLU A 45 -5.987 -0.966 -0.362 1.00 0.00 O ATOM 0 H GLU A 45 -5.325 4.468 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.681 3.657 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.852 2.178 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.111 2.107 -1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.483 1.301 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.193 1.199 0.839 1.00 0.00 H new ATOM 746 N VAL A 46 -3.340 3.925 1.676 1.00 0.00 N ATOM 747 CA VAL A 46 -2.022 4.269 2.196 1.00 0.00 C ATOM 748 C VAL A 46 -1.386 3.081 2.911 1.00 0.00 C ATOM 749 O VAL A 46 -1.975 2.004 2.994 1.00 0.00 O ATOM 750 CB VAL A 46 -2.096 5.460 3.170 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.771 6.651 2.506 1.00 0.00 C ATOM 752 CG2 VAL A 46 -2.828 5.063 4.442 1.00 0.00 C ATOM 0 H VAL A 46 -3.995 3.584 2.380 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.407 4.547 1.340 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.081 5.751 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.814 7.483 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.201 6.949 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.782 6.376 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.871 5.917 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.841 4.745 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.298 4.243 4.926 1.00 0.00 H new ATOM 762 N LYS A 47 -0.179 3.286 3.427 1.00 0.00 N ATOM 763 CA LYS A 47 0.539 2.234 4.137 1.00 0.00 C ATOM 764 C LYS A 47 0.819 2.644 5.579 1.00 0.00 C ATOM 765 O LYS A 47 1.573 3.584 5.831 1.00 0.00 O ATOM 766 CB LYS A 47 1.853 1.912 3.422 1.00 0.00 C ATOM 767 CG LYS A 47 2.311 0.476 3.608 1.00 0.00 C ATOM 768 CD LYS A 47 3.061 -0.032 2.388 1.00 0.00 C ATOM 769 CE LYS A 47 2.799 -1.511 2.149 1.00 0.00 C ATOM 770 NZ LYS A 47 2.967 -1.879 0.715 1.00 0.00 N ATOM 0 H LYS A 47 0.323 4.172 3.367 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.089 1.343 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.736 2.112 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.630 2.583 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.954 0.409 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.447 -0.161 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.759 0.539 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.130 0.132 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.481 -2.104 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.787 -1.757 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.083 -2.293 0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.199 -1.029 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.736 -2.573 0.622 1.00 0.00 H new ATOM 784 N ILE A 48 0.209 1.933 6.521 1.00 0.00 N ATOM 785 CA ILE A 48 0.396 2.222 7.938 1.00 0.00 C ATOM 786 C ILE A 48 1.151 1.095 8.634 1.00 0.00 C ATOM 787 O ILE A 48 0.973 -0.080 8.311 1.00 0.00 O ATOM 788 CB ILE A 48 -0.951 2.439 8.651 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.720 3.590 7.997 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.729 2.717 10.130 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.202 3.576 8.300 1.00 0.00 C ATOM 0 H ILE A 48 -0.419 1.153 6.329 1.00 0.00 H new ATOM 0 HA ILE A 48 0.981 3.140 7.998 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.545 1.530 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.297 4.536 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.578 3.544 6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.691 2.868 10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.218 1.869 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.119 3.613 10.244 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.683 4.419 7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.639 2.645 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.354 3.653 9.377 1.00 0.00 H new ATOM 803 N THR A 49 1.995 1.461 9.594 1.00 0.00 N ATOM 804 CA THR A 49 2.778 0.481 10.338 1.00 0.00 C ATOM 805 C THR A 49 2.388 0.470 11.811 1.00 0.00 C ATOM 806 O THR A 49 2.405 1.506 12.476 1.00 0.00 O ATOM 807 CB THR A 49 4.288 0.762 10.220 1.00 0.00 C ATOM 808 OG1 THR A 49 4.681 0.755 8.843 1.00 0.00 O ATOM 809 CG2 THR A 49 5.092 -0.277 10.987 1.00 0.00 C ATOM 0 H THR A 49 2.154 2.429 9.875 1.00 0.00 H new ATOM 0 HA THR A 49 2.562 -0.494 9.901 1.00 0.00 H new ATOM 0 HB THR A 49 4.488 1.744 10.650 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.642 0.936 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.155 -0.059 10.890 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.811 -0.250 12.040 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.886 -1.268 10.582 1.00 0.00 H new ATOM 817 N VAL A 50 2.037 -0.708 12.317 1.00 0.00 N ATOM 818 CA VAL A 50 1.645 -0.854 13.714 1.00 0.00 C ATOM 819 C VAL A 50 2.238 -2.120 14.322 1.00 0.00 C ATOM 820 O VAL A 50 2.080 -3.214 13.780 1.00 0.00 O ATOM 821 CB VAL A 50 0.112 -0.894 13.865 1.00 0.00 C ATOM 822 CG1 VAL A 50 -0.276 -1.064 15.326 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.513 0.364 13.282 1.00 0.00 C ATOM 0 H VAL A 50 2.016 -1.575 11.780 1.00 0.00 H new ATOM 0 HA VAL A 50 2.033 0.016 14.244 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.269 -1.752 13.311 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.362 -1.090 15.413 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.141 -1.996 15.707 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.115 -0.228 15.906 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.596 0.319 13.397 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.128 1.238 13.807 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.263 0.437 12.224 1.00 0.00 H new ATOM 833 N ASN A 51 2.920 -1.964 15.451 1.00 0.00 N ATOM 834 CA ASN A 51 3.537 -3.096 16.134 1.00 0.00 C ATOM 835 C ASN A 51 4.483 -3.845 15.200 1.00 0.00 C ATOM 836 O ASN A 51 4.698 -5.047 15.350 1.00 0.00 O ATOM 837 CB ASN A 51 2.462 -4.048 16.661 1.00 0.00 C ATOM 838 CG ASN A 51 1.839 -3.558 17.954 1.00 0.00 C ATOM 839 OD1 ASN A 51 2.533 -3.062 18.842 1.00 0.00 O ATOM 840 ND2 ASN A 51 0.523 -3.696 18.066 1.00 0.00 N ATOM 0 H ASN A 51 3.060 -1.065 15.913 1.00 0.00 H new ATOM 0 HA ASN A 51 4.115 -2.711 16.974 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.683 -4.165 15.907 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.900 -5.033 16.822 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.048 -3.385 18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.013 -4.113 17.305 1.00 0.00 H new ATOM 847 N GLY A 52 5.045 -3.125 14.234 1.00 0.00 N ATOM 848 CA GLY A 52 5.961 -3.737 13.290 1.00 0.00 C ATOM 849 C GLY A 52 5.242 -4.513 12.204 1.00 0.00 C ATOM 850 O GLY A 52 5.836 -5.363 11.540 1.00 0.00 O ATOM 0 H GLY A 52 4.882 -2.129 14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.577 -2.963 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.635 -4.406 13.825 1.00 0.00 H new ATOM 854 N LYS A 53 3.958 -4.223 12.024 1.00 0.00 N ATOM 855 CA LYS A 53 3.155 -4.900 11.012 1.00 0.00 C ATOM 856 C LYS A 53 2.692 -3.919 9.939 1.00 0.00 C ATOM 857 O LYS A 53 2.383 -2.763 10.232 1.00 0.00 O ATOM 858 CB LYS A 53 1.943 -5.573 11.659 1.00 0.00 C ATOM 859 CG LYS A 53 2.304 -6.498 12.810 1.00 0.00 C ATOM 860 CD LYS A 53 3.170 -7.656 12.344 1.00 0.00 C ATOM 861 CE LYS A 53 2.366 -8.662 11.534 1.00 0.00 C ATOM 862 NZ LYS A 53 3.076 -9.965 11.405 1.00 0.00 N ATOM 0 H LYS A 53 3.451 -3.523 12.566 1.00 0.00 H new ATOM 0 HA LYS A 53 3.777 -5.661 10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.261 -4.804 12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.406 -6.143 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.832 -5.934 13.579 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.393 -6.885 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.994 -7.276 11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.611 -8.153 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.399 -8.821 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.170 -8.256 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.496 -10.623 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.988 -9.818 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.241 -10.366 12.350 1.00 0.00 H new ATOM 876 N THR A 54 2.645 -4.387 8.696 1.00 0.00 N ATOM 877 CA THR A 54 2.219 -3.552 7.580 1.00 0.00 C ATOM 878 C THR A 54 0.709 -3.627 7.382 1.00 0.00 C ATOM 879 O THR A 54 0.137 -4.715 7.306 1.00 0.00 O ATOM 880 CB THR A 54 2.918 -3.963 6.271 1.00 0.00 C ATOM 881 OG1 THR A 54 3.750 -5.106 6.499 1.00 0.00 O ATOM 882 CG2 THR A 54 3.759 -2.819 5.724 1.00 0.00 C ATOM 0 H THR A 54 2.897 -5.341 8.437 1.00 0.00 H new ATOM 0 HA THR A 54 2.500 -2.528 7.827 1.00 0.00 H new ATOM 0 HB THR A 54 2.151 -4.212 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.190 -5.363 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.243 -3.133 4.799 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.119 -1.960 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.519 -2.544 6.456 1.00 0.00 H new ATOM 890 N TYR A 55 0.070 -2.466 7.298 1.00 0.00 N ATOM 891 CA TYR A 55 -1.375 -2.401 7.110 1.00 0.00 C ATOM 892 C TYR A 55 -1.729 -1.534 5.906 1.00 0.00 C ATOM 893 O TYR A 55 -1.011 -0.591 5.574 1.00 0.00 O ATOM 894 CB TYR A 55 -2.049 -1.848 8.366 1.00 0.00 C ATOM 895 CG TYR A 55 -2.019 -2.802 9.539 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.985 -3.791 9.680 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.026 -2.714 10.507 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.962 -4.665 10.750 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.994 -3.584 11.579 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.964 -4.557 11.697 1.00 0.00 C ATOM 901 OH TYR A 55 -1.937 -5.425 12.765 1.00 0.00 O ATOM 0 H TYR A 55 0.529 -1.557 7.357 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.738 -3.412 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.558 -0.918 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.085 -1.603 8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.767 -3.878 8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.266 -1.952 10.419 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.720 -5.428 10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.213 -3.503 12.321 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.170 -5.215 13.338 1.00 0.00 H new ATOM 911 N GLU A 56 -2.842 -1.860 5.256 1.00 0.00 N ATOM 912 CA GLU A 56 -3.292 -1.111 4.089 1.00 0.00 C ATOM 913 C GLU A 56 -4.784 -0.807 4.180 1.00 0.00 C ATOM 914 O GLU A 56 -5.607 -1.713 4.314 1.00 0.00 O ATOM 915 CB GLU A 56 -2.997 -1.895 2.808 1.00 0.00 C ATOM 916 CG GLU A 56 -1.516 -1.997 2.484 1.00 0.00 C ATOM 917 CD GLU A 56 -1.212 -3.096 1.484 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.162 -3.600 0.849 1.00 0.00 O ATOM 919 OE2 GLU A 56 -0.024 -3.450 1.336 1.00 0.00 O ATOM 0 H GLU A 56 -3.448 -2.637 5.518 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.748 -0.167 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.409 -2.899 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.511 -1.418 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.168 -1.043 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.959 -2.182 3.402 1.00 0.00 H new ATOM 926 N ARG A 57 -5.126 0.476 4.107 1.00 0.00 N ATOM 927 CA ARG A 57 -6.519 0.901 4.182 1.00 0.00 C ATOM 928 C ARG A 57 -6.756 2.140 3.324 1.00 0.00 C ATOM 929 O ARG A 57 -5.820 2.871 3.001 1.00 0.00 O ATOM 930 CB ARG A 57 -6.908 1.190 5.633 1.00 0.00 C ATOM 931 CG ARG A 57 -6.295 2.467 6.185 1.00 0.00 C ATOM 932 CD ARG A 57 -6.514 2.586 7.685 1.00 0.00 C ATOM 933 NE ARG A 57 -7.099 3.873 8.052 1.00 0.00 N ATOM 934 CZ ARG A 57 -8.388 4.160 7.913 1.00 0.00 C ATOM 935 NH1 ARG A 57 -9.223 3.257 7.419 1.00 0.00 N ATOM 936 NH2 ARG A 57 -8.845 5.354 8.270 1.00 0.00 N ATOM 0 H ARG A 57 -4.458 1.239 3.996 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.141 0.092 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.994 1.259 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.601 0.350 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.227 2.482 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.733 3.329 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.168 1.781 8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.562 2.460 8.201 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.484 4.590 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.876 2.338 7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.213 3.481 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.206 6.052 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.835 5.574 8.163 1.00 0.00 H new ATOM 950 N GLN A 58 -8.014 2.368 2.959 1.00 0.00 N ATOM 951 CA GLN A 58 -8.373 3.518 2.137 1.00 0.00 C ATOM 952 C GLN A 58 -8.897 4.661 3.000 1.00 0.00 C ATOM 953 O GLN A 58 -9.532 4.435 4.029 1.00 0.00 O ATOM 954 CB GLN A 58 -9.426 3.121 1.101 1.00 0.00 C ATOM 955 CG GLN A 58 -10.834 3.034 1.668 1.00 0.00 C ATOM 956 CD GLN A 58 -11.861 2.643 0.622 1.00 0.00 C ATOM 957 OE1 GLN A 58 -11.801 3.288 -0.537 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.699 1.771 0.854 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.800 1.773 3.219 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.476 3.859 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.415 3.846 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.156 2.156 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.851 2.305 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.108 3.997 2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.709 1.301 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.383 1.519 0.141 1.00 0.00 H new ATOM 967 N GLY A 59 -8.625 5.891 2.573 1.00 0.00 N ATOM 968 CA GLY A 59 -9.076 7.051 3.319 1.00 0.00 C ATOM 969 C GLY A 59 -9.509 8.189 2.416 1.00 0.00 C ATOM 970 O GLY A 59 -9.105 8.257 1.255 1.00 0.00 O ATOM 0 H GLY A 59 -8.101 6.104 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.908 6.765 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.273 7.394 3.971 1.00 0.00 H new ATOM 974 N PHE A 60 -10.335 9.083 2.948 1.00 0.00 N ATOM 975 CA PHE A 60 -10.825 10.222 2.181 1.00 0.00 C ATOM 976 C PHE A 60 -9.825 11.374 2.217 1.00 0.00 C ATOM 977 O PHE A 60 -9.240 11.671 3.258 1.00 0.00 O ATOM 978 CB PHE A 60 -12.176 10.689 2.728 1.00 0.00 C ATOM 979 CG PHE A 60 -13.270 9.672 2.569 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.275 8.516 3.332 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.294 9.873 1.657 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.281 7.578 3.188 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.302 8.939 1.509 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.296 7.791 2.276 1.00 0.00 C ATOM 0 H PHE A 60 -10.679 9.041 3.907 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.949 9.904 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.067 10.932 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.468 11.607 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.484 8.345 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.304 10.770 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.273 6.680 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.094 9.107 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.084 7.061 2.163 1.00 0.00 H new ATOM 994 N VAL A 61 -9.632 12.018 1.070 1.00 0.00 N ATOM 995 CA VAL A 61 -8.703 13.137 0.969 1.00 0.00 C ATOM 996 C VAL A 61 -9.170 14.147 -0.074 1.00 0.00 C ATOM 997 O VAL A 61 -9.896 13.816 -1.012 1.00 0.00 O ATOM 998 CB VAL A 61 -7.285 12.659 0.605 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.621 11.998 1.803 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.332 11.707 -0.581 1.00 0.00 C ATOM 0 H VAL A 61 -10.107 11.784 0.198 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.677 13.615 1.948 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.689 13.527 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.620 11.667 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.553 12.714 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.213 11.139 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.321 11.379 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.944 10.841 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.765 12.218 -1.441 1.00 0.00 H new ATOM 1010 N PRO A 62 -8.745 15.408 0.091 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.106 16.492 -0.828 1.00 0.00 C ATOM 1012 C PRO A 62 -8.441 16.342 -2.191 1.00 0.00 C ATOM 1013 O PRO A 62 -7.237 16.557 -2.332 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.591 17.746 -0.116 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.486 17.259 0.756 1.00 0.00 C ATOM 1016 CD PRO A 62 -7.877 15.873 1.186 1.00 0.00 C ATOM 0 HA PRO A 62 -10.176 16.512 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.234 18.488 -0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.378 18.220 0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.539 17.247 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.353 17.912 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.006 15.230 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.404 15.882 2.140 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.232 15.973 -3.193 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.720 15.797 -4.546 1.00 0.00 C ATOM 1026 C ALA A 63 -8.147 17.101 -5.090 1.00 0.00 C ATOM 1027 O ALA A 63 -7.194 17.094 -5.868 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.817 15.277 -5.463 1.00 0.00 C ATOM 0 H ALA A 63 -10.230 15.790 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.914 15.064 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.420 15.150 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.177 14.318 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.641 15.990 -5.485 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.736 18.218 -4.677 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.283 19.530 -5.122 1.00 0.00 C ATOM 1036 C ALA A 64 -6.877 19.828 -4.612 1.00 0.00 C ATOM 1037 O ALA A 64 -6.221 20.759 -5.080 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.253 20.608 -4.661 1.00 0.00 C ATOM 0 H ALA A 64 -9.528 18.241 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.253 19.526 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.902 21.583 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.240 20.412 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.312 20.603 -3.573 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.421 19.033 -3.650 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.094 19.214 -3.074 1.00 0.00 C ATOM 1046 C TYR A 65 -4.106 18.208 -3.657 1.00 0.00 C ATOM 1047 O TYR A 65 -2.914 18.243 -3.351 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.151 19.067 -1.553 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.494 20.352 -0.833 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.400 21.255 -1.376 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.914 20.662 0.391 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.716 22.430 -0.722 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.225 21.834 1.053 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.126 22.715 0.492 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.440 23.883 1.148 1.00 0.00 O ATOM 0 H TYR A 65 -6.951 18.257 -3.253 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.751 20.219 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.891 18.308 -1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.187 18.706 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.865 21.034 -2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.208 19.975 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.421 23.122 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.765 22.059 2.004 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.939 23.931 1.989 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.611 17.313 -4.500 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.774 16.298 -5.128 1.00 0.00 C ATOM 1067 C VAL A 66 -4.014 16.241 -6.633 1.00 0.00 C ATOM 1068 O VAL A 66 -4.793 17.023 -7.178 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.034 14.904 -4.525 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.847 14.932 -3.016 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.428 14.418 -4.890 1.00 0.00 C ATOM 0 H VAL A 66 -5.595 17.270 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.738 16.581 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.310 14.205 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.035 13.939 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.826 15.234 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.546 15.643 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.595 13.432 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.170 15.116 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.520 14.357 -5.974 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.340 15.310 -7.299 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.481 15.149 -8.742 1.00 0.00 C ATOM 1083 C LYS A 67 -2.971 13.782 -9.188 1.00 0.00 C ATOM 1084 O LYS A 67 -2.115 13.184 -8.537 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.718 16.254 -9.476 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.215 16.199 -9.266 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.461 16.471 -10.557 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.611 17.920 -10.995 1.00 0.00 C ATOM 1089 NZ LYS A 67 0.567 18.742 -10.601 1.00 0.00 N ATOM 0 H LYS A 67 -2.691 14.655 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.540 15.221 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.930 16.183 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.088 17.223 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.925 16.932 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.936 15.218 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.595 16.239 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.832 15.812 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.738 17.961 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.513 18.342 -10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.270 19.471 -9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.285 18.131 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.969 19.199 -11.444 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.503 13.294 -10.304 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.100 11.999 -10.840 1.00 0.00 C ATOM 1105 C LYS A 68 -1.611 11.986 -11.171 1.00 0.00 C ATOM 1106 O LYS A 68 -1.094 12.917 -11.789 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.915 11.667 -12.093 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.867 10.199 -12.478 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.076 9.801 -13.309 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.303 9.581 -12.438 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.462 9.083 -13.230 1.00 0.00 N ATOM 0 H LYS A 68 -4.214 13.776 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.291 11.243 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.953 11.957 -11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.545 12.265 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.955 9.999 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.826 9.587 -11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.285 10.578 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.854 8.889 -13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.066 8.865 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.573 10.516 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.279 8.945 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.704 9.778 -13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.213 8.178 -13.678 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.928 10.924 -10.757 1.00 0.00 N ATOM 1126 CA LEU A 69 0.502 10.789 -11.011 1.00 0.00 C ATOM 1127 C LEU A 69 0.806 10.919 -12.501 1.00 0.00 C ATOM 1128 O LEU A 69 1.825 11.489 -12.889 1.00 0.00 O ATOM 1129 CB LEU A 69 1.008 9.442 -10.491 1.00 0.00 C ATOM 1130 CG LEU A 69 2.476 9.122 -10.773 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.379 10.189 -10.173 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.836 7.748 -10.227 1.00 0.00 C ATOM 0 H LEU A 69 -1.341 10.145 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 69 1.017 11.592 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.850 9.409 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.395 8.653 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 69 2.626 9.113 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.420 9.945 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.138 11.158 -10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.227 10.230 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.885 7.536 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.670 7.730 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.211 6.992 -10.703 1.00 0.00 H new ATOM 1144 N ASP A 70 -0.086 10.387 -13.329 1.00 0.00 N ATOM 1145 CA ASP A 70 0.084 10.446 -14.776 1.00 0.00 C ATOM 1146 C ASP A 70 -0.498 11.738 -15.340 1.00 0.00 C ATOM 1147 O ASP A 70 -1.541 12.212 -14.885 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.584 9.240 -15.439 1.00 0.00 C ATOM 1149 CG ASP A 70 0.248 7.978 -15.317 1.00 0.00 C ATOM 1150 OD1 ASP A 70 1.284 8.015 -14.621 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -0.138 6.953 -15.916 1.00 0.00 O ATOM 0 H ASP A 70 -0.934 9.910 -13.023 1.00 0.00 H new ATOM 0 HA ASP A 70 1.152 10.425 -14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.560 9.073 -14.984 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.756 9.458 -16.493 1.00 0.00 H new TER 1156 ASP A 70