USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 823 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 74 MET CE :methyl -178:sc= 0 (180deg=-0.00212) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot -140:sc= 0.439 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= 0.859 F(o=-2.5,f=1.3) USER MOD Set 3.1: A 47 TYR OH : rot 118:sc= 1.09 USER MOD Set 3.2: A 99 ASN : amide:sc= -2.59! C(o=-3!,f=-15!) USER MOD Set 3.3: A 101 ASN : amide:sc= -1.46 X(o=-3,f=-3.2) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot 111:sc= -2.02 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0254 (180deg=-0.234) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.032 (180deg=0) USER MOD Single : A 5 MET CE :methyl 143:sc= -6.86! (180deg=-8.11!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.344 USER MOD Single : A 17 ASN : amide:sc= -0.0258 K(o=-0.026,f=-0.58) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -1.43 (180deg=-2.33!) USER MOD Single : A 24 SER OG : rot 105:sc= 0.363 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.6! C(o=-16!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= -0.813 (180deg=-0.821) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.0283 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00457 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.7 F(o=-2.5,f=-0.7) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.1 F(o=-4.4!,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ -130:sc= 0.446 (180deg=-2.71!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 131:sc= 0.105 USER MOD Single : A 77 GLN :FLIP amide:sc= -4.12! C(o=-6.8!,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot 13:sc= 0.339 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 38:sc= 0.345 USER MOD Single : A 96 THR OG1 : rot -160:sc= -0.03 USER MOD Single : A 98 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.2) USER MOD Single : A 103 THR OG1 : rot -90:sc= 0.0421 USER MOD Single : A 104 SER OG : rot -53:sc= 1.04 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 34:sc= 0.247 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.141 -3.544 -4.310 1.00 0.00 N ATOM 2 CA MET A 1 -23.861 -4.288 -4.219 1.00 0.00 C ATOM 3 C MET A 1 -23.921 -5.372 -3.150 1.00 0.00 C ATOM 4 O MET A 1 -24.978 -5.617 -2.559 1.00 0.00 O ATOM 5 CB MET A 1 -22.745 -3.294 -3.898 1.00 0.00 C ATOM 6 CG MET A 1 -22.005 -2.789 -5.133 1.00 0.00 C ATOM 7 SD MET A 1 -21.643 -1.024 -5.049 1.00 0.00 S ATOM 8 CE MET A 1 -23.284 -0.330 -5.220 1.00 0.00 C ATOM 0 H1 MET A 1 -24.956 -2.524 -4.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.593 -3.742 -5.225 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.772 -3.844 -3.540 1.00 0.00 H new ATOM 0 HA MET A 1 -23.668 -4.781 -5.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.170 -2.443 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.031 -3.767 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.073 -3.343 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.605 -2.992 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.208 0.709 -5.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.844 -0.898 -5.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.801 -0.377 -4.261 1.00 0.00 H new ATOM 20 N ILE A 2 -22.787 -6.018 -2.903 1.00 0.00 N ATOM 21 CA ILE A 2 -22.714 -7.077 -1.903 1.00 0.00 C ATOM 22 C ILE A 2 -22.183 -6.533 -0.581 1.00 0.00 C ATOM 23 O ILE A 2 -22.223 -5.327 -0.332 1.00 0.00 O ATOM 24 CB ILE A 2 -21.810 -8.248 -2.372 1.00 0.00 C ATOM 25 CG1 ILE A 2 -21.567 -8.193 -3.881 1.00 0.00 C ATOM 26 CG2 ILE A 2 -22.443 -9.580 -1.987 1.00 0.00 C ATOM 27 CD1 ILE A 2 -22.837 -8.166 -4.703 1.00 0.00 C ATOM 0 H ILE A 2 -21.906 -5.827 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.727 -7.455 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.845 -8.152 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -20.976 -7.307 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -20.973 -9.058 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.803 -10.397 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.560 -9.628 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.420 -9.669 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -22.584 -8.127 -5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.420 -9.065 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -23.424 -7.286 -4.438 1.00 0.00 H new ATOM 39 N ASP A 3 -21.687 -7.429 0.262 1.00 0.00 N ATOM 40 CA ASP A 3 -21.154 -7.042 1.564 1.00 0.00 C ATOM 41 C ASP A 3 -20.276 -8.149 2.146 1.00 0.00 C ATOM 42 O ASP A 3 -20.109 -8.244 3.362 1.00 0.00 O ATOM 43 CB ASP A 3 -22.293 -6.714 2.529 1.00 0.00 C ATOM 44 CG ASP A 3 -22.073 -5.413 3.275 1.00 0.00 C ATOM 45 OD1 ASP A 3 -20.899 -4.980 3.367 1.00 0.00 O ATOM 46 OD2 ASP A 3 -23.061 -4.826 3.759 1.00 0.00 O ATOM 0 H ASP A 3 -21.642 -8.429 0.069 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.539 -6.153 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.229 -6.655 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -22.400 -7.526 3.248 1.00 0.00 H new ATOM 51 N ASP A 4 -19.729 -8.983 1.275 1.00 0.00 N ATOM 52 CA ASP A 4 -18.869 -10.079 1.697 1.00 0.00 C ATOM 53 C ASP A 4 -17.510 -9.984 1.020 1.00 0.00 C ATOM 54 O ASP A 4 -16.467 -10.141 1.659 1.00 0.00 O ATOM 55 CB ASP A 4 -19.522 -11.414 1.352 1.00 0.00 C ATOM 56 CG ASP A 4 -18.705 -12.603 1.811 1.00 0.00 C ATOM 57 OD1 ASP A 4 -17.821 -13.046 1.043 1.00 0.00 O ATOM 58 OD2 ASP A 4 -18.946 -13.093 2.936 1.00 0.00 O ATOM 0 H ASP A 4 -19.866 -8.921 0.266 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.728 -10.012 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.510 -11.459 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.668 -11.474 0.273 1.00 0.00 H new ATOM 63 N MET A 5 -17.530 -9.724 -0.281 1.00 0.00 N ATOM 64 CA MET A 5 -16.306 -9.602 -1.059 1.00 0.00 C ATOM 65 C MET A 5 -16.381 -8.418 -2.022 1.00 0.00 C ATOM 66 O MET A 5 -17.406 -7.738 -2.093 1.00 0.00 O ATOM 67 CB MET A 5 -16.038 -10.891 -1.842 1.00 0.00 C ATOM 68 CG MET A 5 -17.238 -11.376 -2.639 1.00 0.00 C ATOM 69 SD MET A 5 -17.258 -10.735 -4.322 1.00 0.00 S ATOM 70 CE MET A 5 -18.580 -9.535 -4.214 1.00 0.00 C ATOM 0 H MET A 5 -18.385 -9.593 -0.821 1.00 0.00 H new ATOM 0 HA MET A 5 -15.485 -9.429 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 5 -15.202 -10.727 -2.522 1.00 0.00 H new ATOM 0 HB3 MET A 5 -15.734 -11.673 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 5 -17.233 -12.466 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 5 -18.153 -11.076 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 5 -18.332 -8.665 -4.822 1.00 0.00 H new ATOM 0 HE2 MET A 5 -19.506 -9.980 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 5 -18.709 -9.228 -3.176 1.00 0.00 H new ATOM 80 N ALA A 6 -15.298 -8.172 -2.751 1.00 0.00 N ATOM 81 CA ALA A 6 -15.251 -7.064 -3.697 1.00 0.00 C ATOM 82 C ALA A 6 -15.507 -5.750 -2.983 1.00 0.00 C ATOM 83 O ALA A 6 -16.629 -5.228 -3.001 1.00 0.00 O ATOM 84 CB ALA A 6 -16.262 -7.275 -4.812 1.00 0.00 C ATOM 0 H ALA A 6 -14.442 -8.724 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.256 -7.026 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -16.214 -6.439 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.034 -8.201 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -17.264 -7.336 -4.388 1.00 0.00 H new ATOM 90 N VAL A 7 -14.481 -5.232 -2.325 1.00 0.00 N ATOM 91 CA VAL A 7 -14.609 -3.994 -1.581 1.00 0.00 C ATOM 92 C VAL A 7 -13.669 -2.908 -2.105 1.00 0.00 C ATOM 93 O VAL A 7 -14.130 -1.906 -2.651 1.00 0.00 O ATOM 94 CB VAL A 7 -14.386 -4.220 -0.066 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.565 -3.682 0.722 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.187 -5.699 0.244 1.00 0.00 C ATOM 0 H VAL A 7 -13.552 -5.652 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.631 -3.645 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.483 -3.684 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.397 -3.847 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.672 -2.614 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.474 -4.198 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.033 -5.829 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.070 -6.258 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.316 -6.070 -0.296 1.00 0.00 H new ATOM 106 N PRO A 8 -12.337 -3.059 -1.939 1.00 0.00 N ATOM 107 CA PRO A 8 -11.365 -2.072 -2.382 1.00 0.00 C ATOM 108 C PRO A 8 -10.604 -2.498 -3.653 1.00 0.00 C ATOM 109 O PRO A 8 -11.214 -2.815 -4.674 1.00 0.00 O ATOM 110 CB PRO A 8 -10.453 -2.072 -1.165 1.00 0.00 C ATOM 111 CG PRO A 8 -10.320 -3.529 -0.855 1.00 0.00 C ATOM 112 CD PRO A 8 -11.631 -4.172 -1.278 1.00 0.00 C ATOM 0 HA PRO A 8 -11.793 -1.110 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.488 -1.614 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.888 -1.519 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.480 -3.967 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.134 -3.686 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.471 -5.010 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.189 -4.555 -0.424 1.00 0.00 H new ATOM 120 N LEU A 9 -9.270 -2.494 -3.573 1.00 0.00 N ATOM 121 CA LEU A 9 -8.401 -2.865 -4.687 1.00 0.00 C ATOM 122 C LEU A 9 -8.651 -4.292 -5.166 1.00 0.00 C ATOM 123 O LEU A 9 -8.581 -5.244 -4.388 1.00 0.00 O ATOM 124 CB LEU A 9 -6.938 -2.730 -4.234 1.00 0.00 C ATOM 125 CG LEU A 9 -5.844 -2.850 -5.318 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.391 -3.415 -6.608 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.185 -1.507 -5.585 1.00 0.00 C ATOM 0 H LEU A 9 -8.763 -2.231 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.618 -2.199 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.824 -1.762 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.748 -3.492 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.095 -3.541 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.590 -3.483 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.801 -4.408 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.177 -2.762 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.420 -1.623 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.936 -0.795 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.726 -1.138 -4.668 1.00 0.00 H new ATOM 139 N THR A 10 -8.889 -4.432 -6.469 1.00 0.00 N ATOM 140 CA THR A 10 -9.084 -5.737 -7.078 1.00 0.00 C ATOM 141 C THR A 10 -7.788 -6.178 -7.752 1.00 0.00 C ATOM 142 O THR A 10 -7.272 -5.488 -8.631 1.00 0.00 O ATOM 143 CB THR A 10 -10.210 -5.702 -8.106 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.462 -5.487 -7.479 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.308 -6.980 -8.914 1.00 0.00 C ATOM 0 H THR A 10 -8.951 -3.651 -7.122 1.00 0.00 H new ATOM 0 HA THR A 10 -9.359 -6.446 -6.297 1.00 0.00 H new ATOM 0 HB THR A 10 -9.968 -4.879 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.169 -5.467 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.127 -6.897 -9.629 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.373 -7.144 -9.450 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.495 -7.820 -8.245 1.00 0.00 H new ATOM 153 N PHE A 11 -7.266 -7.319 -7.335 1.00 0.00 N ATOM 154 CA PHE A 11 -6.027 -7.840 -7.897 1.00 0.00 C ATOM 155 C PHE A 11 -6.305 -8.709 -9.122 1.00 0.00 C ATOM 156 O PHE A 11 -7.455 -8.879 -9.525 1.00 0.00 O ATOM 157 CB PHE A 11 -5.269 -8.632 -6.837 1.00 0.00 C ATOM 158 CG PHE A 11 -5.881 -9.952 -6.537 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.958 -10.059 -5.680 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.375 -11.085 -7.125 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.521 -11.291 -5.415 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.925 -12.316 -6.870 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.001 -12.422 -6.012 1.00 0.00 C ATOM 0 H PHE A 11 -7.680 -7.904 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.411 -7.000 -8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.243 -8.783 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.222 -8.045 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.363 -9.173 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.533 -11.006 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.364 -11.370 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.517 -13.199 -7.339 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.436 -13.389 -5.808 1.00 0.00 H new ATOM 173 N THR A 12 -5.245 -9.248 -9.716 1.00 0.00 N ATOM 174 CA THR A 12 -5.383 -10.091 -10.906 1.00 0.00 C ATOM 175 C THR A 12 -5.719 -11.534 -10.528 1.00 0.00 C ATOM 176 O THR A 12 -6.168 -11.807 -9.423 1.00 0.00 O ATOM 177 CB THR A 12 -4.097 -10.050 -11.736 1.00 0.00 C ATOM 178 OG1 THR A 12 -4.345 -10.486 -13.065 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.986 -10.907 -11.164 1.00 0.00 C ATOM 0 H THR A 12 -4.285 -9.119 -9.398 1.00 0.00 H new ATOM 0 HA THR A 12 -6.206 -9.698 -11.502 1.00 0.00 H new ATOM 0 HB THR A 12 -3.772 -9.010 -11.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.513 -10.452 -13.581 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.104 -10.832 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.739 -10.561 -10.160 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.314 -11.946 -11.119 1.00 0.00 H new ATOM 187 N ASP A 13 -5.498 -12.449 -11.455 1.00 0.00 N ATOM 188 CA ASP A 13 -5.768 -13.861 -11.214 1.00 0.00 C ATOM 189 C ASP A 13 -4.532 -14.568 -10.677 1.00 0.00 C ATOM 190 O ASP A 13 -4.613 -15.389 -9.767 1.00 0.00 O ATOM 191 CB ASP A 13 -6.218 -14.540 -12.508 1.00 0.00 C ATOM 192 CG ASP A 13 -7.476 -13.916 -13.080 1.00 0.00 C ATOM 193 OD1 ASP A 13 -8.431 -13.690 -12.309 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.507 -13.659 -14.303 1.00 0.00 O ATOM 0 H ASP A 13 -5.132 -12.242 -12.384 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.562 -13.929 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.417 -14.478 -13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.395 -15.599 -12.317 1.00 0.00 H new ATOM 199 N ALA A 14 -3.388 -14.238 -11.257 1.00 0.00 N ATOM 200 CA ALA A 14 -2.126 -14.847 -10.866 1.00 0.00 C ATOM 201 C ALA A 14 -1.811 -14.570 -9.405 1.00 0.00 C ATOM 202 O ALA A 14 -1.371 -15.461 -8.680 1.00 0.00 O ATOM 203 CB ALA A 14 -1.001 -14.350 -11.758 1.00 0.00 C ATOM 0 H ALA A 14 -3.308 -13.548 -12.004 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.219 -15.926 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.063 -14.814 -11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.216 -14.611 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.916 -13.267 -11.667 1.00 0.00 H new ATOM 209 N ALA A 15 -2.050 -13.341 -8.957 1.00 0.00 N ATOM 210 CA ALA A 15 -1.797 -13.001 -7.565 1.00 0.00 C ATOM 211 C ALA A 15 -2.497 -14.018 -6.676 1.00 0.00 C ATOM 212 O ALA A 15 -1.991 -14.402 -5.620 1.00 0.00 O ATOM 213 CB ALA A 15 -2.248 -11.580 -7.261 1.00 0.00 C ATOM 0 H ALA A 15 -2.412 -12.577 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.726 -13.038 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.048 -11.351 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.703 -10.882 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.317 -11.488 -7.455 1.00 0.00 H new ATOM 219 N ALA A 16 -3.643 -14.493 -7.155 1.00 0.00 N ATOM 220 CA ALA A 16 -4.400 -15.516 -6.454 1.00 0.00 C ATOM 221 C ALA A 16 -3.669 -16.836 -6.573 1.00 0.00 C ATOM 222 O ALA A 16 -3.560 -17.601 -5.615 1.00 0.00 O ATOM 223 CB ALA A 16 -5.775 -15.657 -7.062 1.00 0.00 C ATOM 0 H ALA A 16 -4.066 -14.182 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.502 -15.232 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.332 -16.427 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.305 -14.708 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.682 -15.939 -8.111 1.00 0.00 H new ATOM 229 N ASN A 17 -3.175 -17.076 -7.777 1.00 0.00 N ATOM 230 CA ASN A 17 -2.453 -18.297 -8.095 1.00 0.00 C ATOM 231 C ASN A 17 -1.267 -18.490 -7.154 1.00 0.00 C ATOM 232 O ASN A 17 -1.113 -19.557 -6.561 1.00 0.00 O ATOM 233 CB ASN A 17 -1.955 -18.253 -9.538 1.00 0.00 C ATOM 234 CG ASN A 17 -3.034 -18.569 -10.559 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.906 -19.505 -11.348 1.00 0.00 O ATOM 236 ND2 ASN A 17 -4.102 -17.784 -10.546 1.00 0.00 N ATOM 0 H ASN A 17 -3.263 -16.430 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.138 -19.136 -7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.549 -17.263 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.137 -18.963 -9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.861 -17.944 -11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.165 -17.020 -9.874 1.00 0.00 H new ATOM 243 N LYS A 18 -0.428 -17.462 -7.024 1.00 0.00 N ATOM 244 CA LYS A 18 0.736 -17.554 -6.162 1.00 0.00 C ATOM 245 C LYS A 18 0.321 -17.949 -4.752 1.00 0.00 C ATOM 246 O LYS A 18 1.066 -18.616 -4.037 1.00 0.00 O ATOM 247 CB LYS A 18 1.502 -16.228 -6.159 1.00 0.00 C ATOM 248 CG LYS A 18 0.835 -15.121 -5.356 1.00 0.00 C ATOM 249 CD LYS A 18 1.755 -14.603 -4.264 1.00 0.00 C ATOM 250 CE LYS A 18 0.979 -13.921 -3.150 1.00 0.00 C ATOM 251 NZ LYS A 18 1.833 -13.670 -1.956 1.00 0.00 N ATOM 0 H LYS A 18 -0.536 -16.567 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 18 1.400 -18.328 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.501 -16.400 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.625 -15.891 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.558 -14.302 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.087 -15.496 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.332 -15.431 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.469 -13.900 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.575 -12.976 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.130 -14.542 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.235 -13.612 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.514 -14.448 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.347 -12.774 -2.079 1.00 0.00 H new ATOM 265 N VAL A 19 -0.887 -17.547 -4.370 1.00 0.00 N ATOM 266 CA VAL A 19 -1.419 -17.871 -3.060 1.00 0.00 C ATOM 267 C VAL A 19 -1.882 -19.316 -3.022 1.00 0.00 C ATOM 268 O VAL A 19 -1.271 -20.152 -2.368 1.00 0.00 O ATOM 269 CB VAL A 19 -2.600 -16.947 -2.700 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.190 -17.315 -1.344 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.167 -15.491 -2.723 1.00 0.00 C ATOM 0 H VAL A 19 -1.514 -16.995 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.622 -17.725 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.378 -17.085 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.021 -16.647 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.548 -18.344 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.424 -17.217 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.014 -14.855 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.366 -15.338 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.809 -15.234 -3.720 1.00 0.00 H new ATOM 281 N LYS A 20 -2.963 -19.596 -3.743 1.00 0.00 N ATOM 282 CA LYS A 20 -3.533 -20.935 -3.813 1.00 0.00 C ATOM 283 C LYS A 20 -2.506 -21.971 -4.250 1.00 0.00 C ATOM 284 O LYS A 20 -2.703 -23.171 -4.049 1.00 0.00 O ATOM 285 CB LYS A 20 -4.698 -20.953 -4.799 1.00 0.00 C ATOM 286 CG LYS A 20 -4.426 -20.170 -6.073 1.00 0.00 C ATOM 287 CD LYS A 20 -4.554 -21.050 -7.305 1.00 0.00 C ATOM 288 CE LYS A 20 -3.242 -21.738 -7.645 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.442 -22.920 -8.518 1.00 0.00 N ATOM 0 H LYS A 20 -3.467 -18.901 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.876 -21.192 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.928 -21.986 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.583 -20.543 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.125 -19.337 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.424 -19.743 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.326 -21.801 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.878 -20.445 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.579 -21.029 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.746 -22.047 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.522 -23.358 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.053 -23.609 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.891 -22.623 -9.407 1.00 0.00 H new ATOM 303 N SER A 21 -1.433 -21.521 -4.884 1.00 0.00 N ATOM 304 CA SER A 21 -0.413 -22.435 -5.385 1.00 0.00 C ATOM 305 C SER A 21 0.610 -22.804 -4.316 1.00 0.00 C ATOM 306 O SER A 21 0.955 -23.978 -4.166 1.00 0.00 O ATOM 307 CB SER A 21 0.312 -21.829 -6.587 1.00 0.00 C ATOM 308 OG SER A 21 -0.546 -21.718 -7.703 1.00 0.00 O ATOM 0 H SER A 21 -1.245 -20.535 -5.064 1.00 0.00 H new ATOM 0 HA SER A 21 -0.932 -23.345 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.697 -20.844 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.171 -22.448 -6.846 1.00 0.00 H new ATOM 0 HG SER A 21 -0.734 -20.772 -7.878 1.00 0.00 H new ATOM 314 N LEU A 22 1.106 -21.816 -3.591 1.00 0.00 N ATOM 315 CA LEU A 22 2.105 -22.074 -2.564 1.00 0.00 C ATOM 316 C LEU A 22 1.438 -22.526 -1.281 1.00 0.00 C ATOM 317 O LEU A 22 2.036 -23.257 -0.489 1.00 0.00 O ATOM 318 CB LEU A 22 3.012 -20.849 -2.362 1.00 0.00 C ATOM 319 CG LEU A 22 2.750 -19.967 -1.129 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.391 -19.308 -1.226 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.884 -20.758 0.166 1.00 0.00 C ATOM 0 H LEU A 22 0.838 -20.837 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 22 2.751 -22.888 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.043 -21.199 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.931 -20.220 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 22 3.510 -19.186 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.223 -18.688 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.351 -18.686 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.618 -20.075 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.692 -20.102 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.163 -21.576 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.893 -21.163 0.242 1.00 0.00 H new ATOM 333 N ILE A 23 0.194 -22.123 -1.076 1.00 0.00 N ATOM 334 CA ILE A 23 -0.529 -22.507 0.114 1.00 0.00 C ATOM 335 C ILE A 23 -0.943 -23.960 0.009 1.00 0.00 C ATOM 336 O ILE A 23 -0.722 -24.758 0.921 1.00 0.00 O ATOM 337 CB ILE A 23 -1.761 -21.638 0.323 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.676 -21.705 -0.885 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.341 -20.201 0.581 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.797 -22.710 -0.739 1.00 0.00 C ATOM 0 H ILE A 23 -0.331 -21.531 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 23 0.131 -22.368 0.970 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.308 -22.013 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.104 -20.718 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.085 -21.958 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.227 -19.584 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.716 -20.159 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.778 -19.827 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.411 -22.704 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.377 -23.705 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.412 -22.446 0.121 1.00 0.00 H new ATOM 352 N SER A 24 -1.504 -24.327 -1.140 1.00 0.00 N ATOM 353 CA SER A 24 -1.903 -25.694 -1.389 1.00 0.00 C ATOM 354 C SER A 24 -0.682 -26.598 -1.256 1.00 0.00 C ATOM 355 O SER A 24 -0.793 -27.783 -0.965 1.00 0.00 O ATOM 356 CB SER A 24 -2.506 -25.826 -2.781 1.00 0.00 C ATOM 357 OG SER A 24 -3.869 -25.456 -2.785 1.00 0.00 O ATOM 0 H SER A 24 -1.690 -23.687 -1.912 1.00 0.00 H new ATOM 0 HA SER A 24 -2.659 -25.990 -0.662 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.954 -25.198 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.405 -26.854 -3.128 1.00 0.00 H new ATOM 0 HG SER A 24 -3.967 -24.574 -3.200 1.00 0.00 H new ATOM 363 N GLU A 25 0.487 -25.989 -1.461 1.00 0.00 N ATOM 364 CA GLU A 25 1.744 -26.705 -1.357 1.00 0.00 C ATOM 365 C GLU A 25 2.163 -26.824 0.098 1.00 0.00 C ATOM 366 O GLU A 25 2.970 -27.682 0.453 1.00 0.00 O ATOM 367 CB GLU A 25 2.832 -25.988 -2.160 1.00 0.00 C ATOM 368 CG GLU A 25 3.656 -26.924 -3.032 1.00 0.00 C ATOM 369 CD GLU A 25 5.125 -26.542 -3.062 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.779 -26.632 -2.010 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.617 -26.165 -4.145 1.00 0.00 O ATOM 0 H GLU A 25 0.582 -25.002 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 25 1.608 -27.706 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.367 -25.230 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.496 -25.466 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.556 -27.944 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.260 -26.914 -4.047 1.00 0.00 H new ATOM 378 N GLU A 26 1.603 -25.966 0.953 1.00 0.00 N ATOM 379 CA GLU A 26 1.915 -26.002 2.365 1.00 0.00 C ATOM 380 C GLU A 26 1.118 -27.090 3.058 1.00 0.00 C ATOM 381 O GLU A 26 1.444 -27.513 4.164 1.00 0.00 O ATOM 382 CB GLU A 26 1.634 -24.652 3.016 1.00 0.00 C ATOM 383 CG GLU A 26 2.429 -23.515 2.407 1.00 0.00 C ATOM 384 CD GLU A 26 3.541 -23.025 3.309 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.652 -23.588 3.238 1.00 0.00 O ATOM 386 OE2 GLU A 26 3.301 -22.079 4.089 1.00 0.00 O ATOM 0 H GLU A 26 0.935 -25.244 0.684 1.00 0.00 H new ATOM 0 HA GLU A 26 2.977 -26.223 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.570 -24.429 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.861 -24.715 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.855 -23.843 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.757 -22.686 2.185 1.00 0.00 H new ATOM 393 N GLU A 27 0.050 -27.525 2.391 1.00 0.00 N ATOM 394 CA GLU A 27 -0.830 -28.554 2.923 1.00 0.00 C ATOM 395 C GLU A 27 -1.810 -27.932 3.904 1.00 0.00 C ATOM 396 O GLU A 27 -2.524 -28.637 4.611 1.00 0.00 O ATOM 397 CB GLU A 27 -0.032 -29.672 3.609 1.00 0.00 C ATOM 398 CG GLU A 27 -0.584 -31.057 3.352 1.00 0.00 C ATOM 399 CD GLU A 27 0.257 -32.156 3.977 1.00 0.00 C ATOM 400 OE1 GLU A 27 1.456 -32.251 3.638 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.281 -32.907 4.809 1.00 0.00 O ATOM 0 H GLU A 27 -0.225 -27.174 1.473 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.379 -28.998 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.002 -29.633 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.018 -29.490 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.599 -31.116 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.648 -31.223 2.277 1.00 0.00 H new ATOM 408 N ASN A 28 -1.853 -26.596 3.930 1.00 0.00 N ATOM 409 CA ASN A 28 -2.771 -25.898 4.818 1.00 0.00 C ATOM 410 C ASN A 28 -4.181 -26.372 4.571 1.00 0.00 C ATOM 411 O ASN A 28 -4.773 -27.058 5.401 1.00 0.00 O ATOM 412 CB ASN A 28 -2.727 -24.377 4.634 1.00 0.00 C ATOM 413 CG ASN A 28 -1.404 -23.866 4.127 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.405 -23.420 2.875 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.401 -23.864 4.841 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.270 -25.989 3.354 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.457 -26.124 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.512 -24.081 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.950 -23.898 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.454 -24.218 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.483 -23.508 4.477 1.00 0.00 H new ATOM 422 N THR A 29 -4.719 -25.980 3.407 1.00 0.00 N ATOM 423 CA THR A 29 -6.083 -26.354 3.039 1.00 0.00 C ATOM 424 C THR A 29 -6.666 -25.436 1.962 1.00 0.00 C ATOM 425 O THR A 29 -7.274 -25.898 0.997 1.00 0.00 O ATOM 426 CB THR A 29 -6.999 -26.287 4.263 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.362 -26.226 3.883 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.711 -25.078 5.138 1.00 0.00 C ATOM 0 H THR A 29 -4.233 -25.410 2.714 1.00 0.00 H new ATOM 0 HA THR A 29 -6.031 -27.369 2.646 1.00 0.00 H new ATOM 0 HB THR A 29 -6.799 -27.198 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.924 -26.186 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.388 -25.078 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.681 -25.122 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.857 -24.166 4.559 1.00 0.00 H new ATOM 436 N ASP A 30 -6.507 -24.126 2.146 1.00 0.00 N ATOM 437 CA ASP A 30 -7.042 -23.141 1.222 1.00 0.00 C ATOM 438 C ASP A 30 -6.837 -21.760 1.817 1.00 0.00 C ATOM 439 O ASP A 30 -7.783 -21.092 2.224 1.00 0.00 O ATOM 440 CB ASP A 30 -8.530 -23.381 0.956 1.00 0.00 C ATOM 441 CG ASP A 30 -8.776 -24.063 -0.372 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.468 -23.452 -1.418 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.277 -25.208 -0.368 1.00 0.00 O ATOM 0 H ASP A 30 -6.005 -23.724 2.938 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.519 -23.225 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.946 -23.992 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.058 -22.428 0.975 1.00 0.00 H new ATOM 448 N LEU A 31 -5.583 -21.385 1.888 1.00 0.00 N ATOM 449 CA LEU A 31 -5.184 -20.125 2.465 1.00 0.00 C ATOM 450 C LEU A 31 -5.802 -18.929 1.765 1.00 0.00 C ATOM 451 O LEU A 31 -6.115 -18.967 0.577 1.00 0.00 O ATOM 452 CB LEU A 31 -3.669 -20.033 2.414 1.00 0.00 C ATOM 453 CG LEU A 31 -2.986 -19.993 3.764 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.610 -18.928 4.629 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.079 -21.353 4.446 1.00 0.00 C ATOM 0 H LEU A 31 -4.806 -21.949 1.545 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.544 -20.096 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.287 -20.887 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.393 -19.138 1.857 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.933 -19.752 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.111 -18.908 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.503 -17.957 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.668 -19.148 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.583 -21.308 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.127 -21.619 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.594 -22.106 3.825 1.00 0.00 H new ATOM 467 N LYS A 32 -5.950 -17.863 2.537 1.00 0.00 N ATOM 468 CA LYS A 32 -6.503 -16.614 2.049 1.00 0.00 C ATOM 469 C LYS A 32 -5.438 -15.532 2.127 1.00 0.00 C ATOM 470 O LYS A 32 -4.889 -15.271 3.196 1.00 0.00 O ATOM 471 CB LYS A 32 -7.725 -16.214 2.881 1.00 0.00 C ATOM 472 CG LYS A 32 -8.626 -17.383 3.252 1.00 0.00 C ATOM 473 CD LYS A 32 -9.530 -17.040 4.425 1.00 0.00 C ATOM 474 CE LYS A 32 -10.418 -15.847 4.114 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.176 -15.397 5.310 1.00 0.00 N ATOM 0 H LYS A 32 -5.688 -17.842 3.523 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.819 -16.738 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.386 -15.724 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.308 -15.481 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.235 -17.662 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.014 -18.249 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.150 -17.902 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.922 -16.823 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.806 -15.026 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.116 -16.111 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.796 -14.603 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.753 -16.183 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.510 -15.089 6.047 1.00 0.00 H new ATOM 489 N LEU A 33 -5.129 -14.920 0.995 1.00 0.00 N ATOM 490 CA LEU A 33 -4.112 -13.889 0.951 1.00 0.00 C ATOM 491 C LEU A 33 -4.466 -12.718 1.859 1.00 0.00 C ATOM 492 O LEU A 33 -5.629 -12.341 1.979 1.00 0.00 O ATOM 493 CB LEU A 33 -3.940 -13.408 -0.489 1.00 0.00 C ATOM 494 CG LEU A 33 -2.655 -12.630 -0.778 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.737 -11.217 -0.218 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.445 -13.362 -0.217 1.00 0.00 C ATOM 0 H LEU A 33 -5.569 -15.121 0.097 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.175 -14.313 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.975 -14.275 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.791 -12.777 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.540 -12.558 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.811 -10.685 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.575 -10.692 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.884 -11.261 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.542 -12.791 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.554 -13.472 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.371 -14.347 -0.677 1.00 0.00 H new ATOM 508 N ARG A 34 -3.445 -12.130 2.476 1.00 0.00 N ATOM 509 CA ARG A 34 -3.636 -10.981 3.349 1.00 0.00 C ATOM 510 C ARG A 34 -2.586 -9.927 3.042 1.00 0.00 C ATOM 511 O ARG A 34 -1.429 -10.033 3.450 1.00 0.00 O ATOM 512 CB ARG A 34 -3.588 -11.387 4.823 1.00 0.00 C ATOM 513 CG ARG A 34 -3.493 -10.213 5.789 1.00 0.00 C ATOM 514 CD ARG A 34 -2.243 -10.295 6.651 1.00 0.00 C ATOM 515 NE ARG A 34 -2.326 -9.421 7.820 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.297 -9.148 8.617 1.00 0.00 C ATOM 517 NH1 ARG A 34 -0.104 -9.678 8.378 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.461 -8.341 9.657 1.00 0.00 N ATOM 0 H ARG A 34 -2.475 -12.433 2.386 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.625 -10.563 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.481 -11.966 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.732 -12.043 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.487 -9.279 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.376 -10.195 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.095 -11.324 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.373 -10.021 6.055 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.227 -8.995 8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.028 -10.299 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.681 -9.465 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.376 -7.931 9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.672 -8.131 10.269 1.00 0.00 H new ATOM 532 N VAL A 35 -3.001 -8.928 2.290 1.00 0.00 N ATOM 533 CA VAL A 35 -2.117 -7.855 1.873 1.00 0.00 C ATOM 534 C VAL A 35 -1.854 -6.837 2.974 1.00 0.00 C ATOM 535 O VAL A 35 -2.704 -6.573 3.824 1.00 0.00 O ATOM 536 CB VAL A 35 -2.708 -7.115 0.669 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.689 -6.161 0.071 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.200 -8.103 -0.367 1.00 0.00 C ATOM 0 H VAL A 35 -3.958 -8.836 1.950 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.171 -8.330 1.615 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.559 -6.525 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.130 -5.646 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.391 -5.429 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.814 -6.722 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.617 -7.562 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.368 -8.722 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.970 -8.738 0.072 1.00 0.00 H new ATOM 548 N TYR A 36 -0.667 -6.251 2.915 1.00 0.00 N ATOM 549 CA TYR A 36 -0.248 -5.226 3.862 1.00 0.00 C ATOM 550 C TYR A 36 0.476 -4.113 3.113 1.00 0.00 C ATOM 551 O TYR A 36 0.618 -4.174 1.892 1.00 0.00 O ATOM 552 CB TYR A 36 0.658 -5.809 4.954 1.00 0.00 C ATOM 553 CG TYR A 36 1.376 -7.076 4.551 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.677 -8.258 4.351 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.753 -7.088 4.370 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.328 -9.418 3.983 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.414 -8.245 4.003 1.00 0.00 C ATOM 558 CZ TYR A 36 2.697 -9.407 3.810 1.00 0.00 C ATOM 559 OH TYR A 36 3.351 -10.561 3.444 1.00 0.00 O ATOM 0 H TYR A 36 0.034 -6.473 2.208 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.135 -4.823 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.397 -5.059 5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.056 -6.012 5.840 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.395 -8.270 4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.316 -6.179 4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.769 -10.329 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.486 -8.239 3.868 1.00 0.00 H new ATOM 0 HH TYR A 36 4.311 -10.381 3.364 1.00 0.00 H new ATOM 569 N ILE A 37 0.926 -3.097 3.835 1.00 0.00 N ATOM 570 CA ILE A 37 1.625 -1.983 3.206 1.00 0.00 C ATOM 571 C ILE A 37 3.122 -2.267 3.085 1.00 0.00 C ATOM 572 O ILE A 37 3.840 -2.321 4.083 1.00 0.00 O ATOM 573 CB ILE A 37 1.396 -0.665 3.979 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.030 -0.163 3.752 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.398 0.397 3.552 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.364 0.065 2.294 1.00 0.00 C ATOM 0 H ILE A 37 0.822 -3.020 4.847 1.00 0.00 H new ATOM 0 HA ILE A 37 1.212 -1.869 2.204 1.00 0.00 H new ATOM 0 HB ILE A 37 1.540 -0.863 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.732 -0.885 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.170 0.769 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.216 1.315 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.410 0.045 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.288 0.593 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.391 0.420 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.314 0.810 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.256 -0.871 1.745 1.00 0.00 H new ATOM 588 N THR A 38 3.577 -2.447 1.848 1.00 0.00 N ATOM 589 CA THR A 38 4.983 -2.725 1.570 1.00 0.00 C ATOM 590 C THR A 38 5.398 -2.115 0.236 1.00 0.00 C ATOM 591 O THR A 38 6.252 -2.655 -0.467 1.00 0.00 O ATOM 592 CB THR A 38 5.232 -4.232 1.537 1.00 0.00 C ATOM 593 OG1 THR A 38 4.697 -4.861 2.688 1.00 0.00 O ATOM 594 CG2 THR A 38 6.697 -4.591 1.460 1.00 0.00 C ATOM 0 H THR A 38 2.987 -2.405 1.017 1.00 0.00 H new ATOM 0 HA THR A 38 5.578 -2.279 2.367 1.00 0.00 H new ATOM 0 HB THR A 38 4.736 -4.584 0.632 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.125 -5.734 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.805 -5.675 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.129 -4.166 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.216 -4.191 2.331 1.00 0.00 H new ATOM 602 N GLY A 39 4.779 -0.993 -0.108 1.00 0.00 N ATOM 603 CA GLY A 39 5.081 -0.326 -1.359 1.00 0.00 C ATOM 604 C GLY A 39 6.539 0.068 -1.485 1.00 0.00 C ATOM 605 O GLY A 39 7.414 -0.548 -0.876 1.00 0.00 O ATOM 0 H GLY A 39 4.069 -0.531 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.815 -0.983 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.461 0.566 -1.447 1.00 0.00 H new ATOM 609 N GLY A 40 6.797 1.096 -2.286 1.00 0.00 N ATOM 610 CA GLY A 40 8.156 1.557 -2.491 1.00 0.00 C ATOM 611 C GLY A 40 8.575 2.620 -1.493 1.00 0.00 C ATOM 612 O GLY A 40 9.448 3.439 -1.779 1.00 0.00 O ATOM 0 H GLY A 40 6.087 1.619 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.837 0.709 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.251 1.956 -3.501 1.00 0.00 H new ATOM 616 N GLY A 41 7.955 2.608 -0.317 1.00 0.00 N ATOM 617 CA GLY A 41 8.288 3.581 0.705 1.00 0.00 C ATOM 618 C GLY A 41 7.581 4.906 0.498 1.00 0.00 C ATOM 619 O GLY A 41 6.521 5.148 1.075 1.00 0.00 O ATOM 0 H GLY A 41 7.228 1.942 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.023 3.180 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.366 3.745 0.709 1.00 0.00 H new ATOM 623 N CYS A 42 8.169 5.764 -0.328 1.00 0.00 N ATOM 624 CA CYS A 42 7.591 7.072 -0.610 1.00 0.00 C ATOM 625 C CYS A 42 6.185 6.937 -1.189 1.00 0.00 C ATOM 626 O CYS A 42 5.352 7.832 -1.038 1.00 0.00 O ATOM 627 CB CYS A 42 8.482 7.848 -1.581 1.00 0.00 C ATOM 628 SG CYS A 42 8.633 9.609 -1.199 1.00 0.00 S ATOM 0 H CYS A 42 9.046 5.577 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 42 7.524 7.620 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.476 7.401 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.083 7.739 -2.589 1.00 0.00 H new ATOM 0 HG CYS A 42 9.408 10.178 -2.074 1.00 0.00 H new ATOM 634 N SER A 43 5.928 5.815 -1.853 1.00 0.00 N ATOM 635 CA SER A 43 4.622 5.566 -2.454 1.00 0.00 C ATOM 636 C SER A 43 4.099 4.185 -2.073 1.00 0.00 C ATOM 637 O SER A 43 4.643 3.525 -1.188 1.00 0.00 O ATOM 638 CB SER A 43 4.709 5.691 -3.976 1.00 0.00 C ATOM 639 OG SER A 43 3.501 6.200 -4.516 1.00 0.00 O ATOM 0 H SER A 43 6.605 5.065 -1.989 1.00 0.00 H new ATOM 0 HA SER A 43 3.926 6.313 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.536 6.349 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.924 4.716 -4.412 1.00 0.00 H new ATOM 0 HG SER A 43 3.583 6.272 -5.490 1.00 0.00 H new ATOM 645 N GLY A 44 3.041 3.755 -2.751 1.00 0.00 N ATOM 646 CA GLY A 44 2.457 2.455 -2.477 1.00 0.00 C ATOM 647 C GLY A 44 1.909 1.798 -3.727 1.00 0.00 C ATOM 648 O GLY A 44 0.834 2.160 -4.204 1.00 0.00 O ATOM 0 H GLY A 44 2.576 4.285 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.211 1.807 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.656 2.565 -1.746 1.00 0.00 H new ATOM 652 N PHE A 45 2.653 0.840 -4.270 1.00 0.00 N ATOM 653 CA PHE A 45 2.229 0.148 -5.483 1.00 0.00 C ATOM 654 C PHE A 45 2.495 -1.358 -5.414 1.00 0.00 C ATOM 655 O PHE A 45 2.173 -2.086 -6.350 1.00 0.00 O ATOM 656 CB PHE A 45 2.942 0.740 -6.699 1.00 0.00 C ATOM 657 CG PHE A 45 4.408 0.424 -6.738 1.00 0.00 C ATOM 658 CD1 PHE A 45 5.252 0.871 -5.736 1.00 0.00 C ATOM 659 CD2 PHE A 45 4.941 -0.331 -7.771 1.00 0.00 C ATOM 660 CE1 PHE A 45 6.600 0.575 -5.762 1.00 0.00 C ATOM 661 CE2 PHE A 45 6.287 -0.633 -7.803 1.00 0.00 C ATOM 662 CZ PHE A 45 7.120 -0.180 -6.796 1.00 0.00 C ATOM 0 H PHE A 45 3.547 0.526 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 45 1.152 0.290 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.472 0.363 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.810 1.822 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.851 1.459 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.295 -0.687 -8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.247 0.933 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.690 -1.222 -8.613 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.174 -0.416 -6.818 1.00 0.00 H new ATOM 672 N GLN A 46 3.085 -1.827 -4.318 1.00 0.00 N ATOM 673 CA GLN A 46 3.380 -3.248 -4.175 1.00 0.00 C ATOM 674 C GLN A 46 2.444 -3.907 -3.175 1.00 0.00 C ATOM 675 O GLN A 46 1.575 -4.689 -3.548 1.00 0.00 O ATOM 676 CB GLN A 46 4.826 -3.456 -3.731 1.00 0.00 C ATOM 677 CG GLN A 46 5.847 -3.138 -4.806 1.00 0.00 C ATOM 678 CD GLN A 46 7.205 -2.822 -4.222 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.319 -1.647 -3.622 1.00 0.00 O flip ATOM 680 NE2 GLN A 46 8.138 -3.620 -4.310 1.00 0.00 N flip ATOM 0 H GLN A 46 3.365 -1.251 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 46 3.232 -3.712 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.022 -2.831 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.954 -4.492 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.933 -3.985 -5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.500 -2.290 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.002 -4.514 -4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.047 -3.387 -3.911 1.00 0.00 H new ATOM 689 N TYR A 47 2.635 -3.594 -1.900 1.00 0.00 N ATOM 690 CA TYR A 47 1.814 -4.165 -0.840 1.00 0.00 C ATOM 691 C TYR A 47 2.184 -5.625 -0.610 1.00 0.00 C ATOM 692 O TYR A 47 1.965 -6.480 -1.467 1.00 0.00 O ATOM 693 CB TYR A 47 0.332 -4.032 -1.179 1.00 0.00 C ATOM 694 CG TYR A 47 -0.044 -2.654 -1.665 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.216 -1.608 -0.771 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.225 -2.401 -3.016 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.559 -0.343 -1.210 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.567 -1.140 -3.466 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.734 -0.115 -2.558 1.00 0.00 C ATOM 700 OH TYR A 47 -1.077 1.143 -3.000 1.00 0.00 O ATOM 0 H TYR A 47 3.353 -2.947 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 47 2.004 -3.613 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.074 -4.764 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.259 -4.273 -0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.080 -1.785 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.097 -3.203 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.689 0.462 -0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.703 -0.958 -4.522 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.369 1.490 -3.582 1.00 0.00 H new ATOM 710 N GLY A 48 2.763 -5.891 0.553 1.00 0.00 N ATOM 711 CA GLY A 48 3.184 -7.238 0.893 1.00 0.00 C ATOM 712 C GLY A 48 2.028 -8.205 1.053 1.00 0.00 C ATOM 713 O GLY A 48 1.038 -7.903 1.719 1.00 0.00 O ATOM 0 H GLY A 48 2.950 -5.193 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.854 -7.609 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.756 -7.209 1.821 1.00 0.00 H new ATOM 717 N PHE A 49 2.152 -9.367 0.422 1.00 0.00 N ATOM 718 CA PHE A 49 1.120 -10.393 0.470 1.00 0.00 C ATOM 719 C PHE A 49 1.515 -11.569 1.361 1.00 0.00 C ATOM 720 O PHE A 49 2.625 -12.093 1.266 1.00 0.00 O ATOM 721 CB PHE A 49 0.852 -10.911 -0.939 1.00 0.00 C ATOM 722 CG PHE A 49 -0.110 -10.070 -1.714 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.083 -8.693 -1.606 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.050 -10.659 -2.537 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.974 -7.913 -2.308 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.950 -9.888 -3.242 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.912 -8.511 -3.128 1.00 0.00 C ATOM 0 H PHE A 49 2.968 -9.623 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 49 0.225 -9.935 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.795 -10.964 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.463 -11.927 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.646 -8.223 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.080 -11.735 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.940 -6.837 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.682 -10.359 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.614 -7.903 -3.679 1.00 0.00 H new ATOM 737 N THR A 50 0.578 -12.000 2.199 1.00 0.00 N ATOM 738 CA THR A 50 0.797 -13.145 3.083 1.00 0.00 C ATOM 739 C THR A 50 -0.373 -14.118 2.961 1.00 0.00 C ATOM 740 O THR A 50 -1.432 -13.756 2.453 1.00 0.00 O ATOM 741 CB THR A 50 0.964 -12.701 4.540 1.00 0.00 C ATOM 742 OG1 THR A 50 1.552 -13.733 5.313 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.342 -12.322 5.200 1.00 0.00 C ATOM 0 H THR A 50 -0.344 -11.573 2.286 1.00 0.00 H new ATOM 0 HA THR A 50 1.718 -13.642 2.779 1.00 0.00 H new ATOM 0 HB THR A 50 1.605 -11.820 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.652 -13.431 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.154 -12.017 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.799 -11.496 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.016 -13.179 5.192 1.00 0.00 H new ATOM 751 N PHE A 51 -0.187 -15.348 3.420 1.00 0.00 N ATOM 752 CA PHE A 51 -1.236 -16.346 3.340 1.00 0.00 C ATOM 753 C PHE A 51 -1.793 -16.631 4.719 1.00 0.00 C ATOM 754 O PHE A 51 -1.214 -17.391 5.497 1.00 0.00 O ATOM 755 CB PHE A 51 -0.687 -17.606 2.667 1.00 0.00 C ATOM 756 CG PHE A 51 0.228 -17.267 1.528 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.289 -16.812 0.328 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.601 -17.356 1.673 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.549 -16.450 -0.710 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.445 -17.005 0.637 1.00 0.00 C ATOM 761 CZ PHE A 51 1.918 -16.548 -0.556 1.00 0.00 C ATOM 0 H PHE A 51 0.679 -15.675 3.850 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.061 -15.973 2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.149 -18.207 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.514 -18.214 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.359 -16.739 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.018 -17.704 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.134 -16.091 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.515 -17.088 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.575 -16.268 -1.366 1.00 0.00 H new ATOM 771 N ASP A 52 -2.917 -15.995 5.022 1.00 0.00 N ATOM 772 CA ASP A 52 -3.571 -16.145 6.313 1.00 0.00 C ATOM 773 C ASP A 52 -4.958 -16.763 6.173 1.00 0.00 C ATOM 774 O ASP A 52 -5.876 -16.156 5.629 1.00 0.00 O ATOM 775 CB ASP A 52 -3.650 -14.802 7.041 1.00 0.00 C ATOM 776 CG ASP A 52 -4.686 -13.874 6.439 1.00 0.00 C ATOM 777 OD1 ASP A 52 -4.942 -13.981 5.222 1.00 0.00 O ATOM 778 OD2 ASP A 52 -5.240 -13.038 7.183 1.00 0.00 O ATOM 0 H ASP A 52 -3.399 -15.363 4.382 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.965 -16.827 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.888 -14.975 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.673 -14.319 7.011 1.00 0.00 H new ATOM 783 N GLU A 53 -5.092 -17.980 6.660 1.00 0.00 N ATOM 784 CA GLU A 53 -6.352 -18.713 6.596 1.00 0.00 C ATOM 785 C GLU A 53 -7.374 -18.148 7.578 1.00 0.00 C ATOM 786 O GLU A 53 -8.580 -18.309 7.394 1.00 0.00 O ATOM 787 CB GLU A 53 -6.117 -20.200 6.877 1.00 0.00 C ATOM 788 CG GLU A 53 -6.589 -21.113 5.756 1.00 0.00 C ATOM 789 CD GLU A 53 -7.788 -21.951 6.149 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.674 -22.728 7.120 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.840 -21.833 5.491 1.00 0.00 O ATOM 0 H GLU A 53 -4.335 -18.493 7.112 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.753 -18.599 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.053 -20.366 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.632 -20.473 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.843 -20.510 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.772 -21.771 5.461 1.00 0.00 H new ATOM 798 N LYS A 54 -6.883 -17.493 8.626 1.00 0.00 N ATOM 799 CA LYS A 54 -7.757 -16.902 9.638 1.00 0.00 C ATOM 800 C LYS A 54 -8.856 -16.052 8.991 1.00 0.00 C ATOM 801 O LYS A 54 -9.882 -16.588 8.599 1.00 0.00 O ATOM 802 CB LYS A 54 -6.941 -16.065 10.633 1.00 0.00 C ATOM 803 CG LYS A 54 -5.670 -15.461 10.049 1.00 0.00 C ATOM 804 CD LYS A 54 -4.427 -16.191 10.527 1.00 0.00 C ATOM 805 CE LYS A 54 -3.618 -15.348 11.502 1.00 0.00 C ATOM 806 NZ LYS A 54 -2.395 -14.785 10.866 1.00 0.00 N ATOM 0 H LYS A 54 -5.887 -17.357 8.798 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.239 -17.714 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.570 -15.260 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.674 -16.692 11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.717 -15.498 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.605 -14.410 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.716 -17.126 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.806 -16.452 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.238 -14.535 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.334 -15.957 12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.871 -14.217 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.791 -15.561 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.667 -14.183 10.063 1.00 0.00 H new ATOM 820 N VAL A 55 -8.603 -14.747 8.878 1.00 0.00 N ATOM 821 CA VAL A 55 -9.568 -13.814 8.270 1.00 0.00 C ATOM 822 C VAL A 55 -9.345 -12.387 8.749 1.00 0.00 C ATOM 823 O VAL A 55 -9.780 -11.438 8.098 1.00 0.00 O ATOM 824 CB VAL A 55 -11.046 -14.197 8.537 1.00 0.00 C ATOM 825 CG1 VAL A 55 -11.376 -14.128 10.018 1.00 0.00 C ATOM 826 CG2 VAL A 55 -11.974 -13.299 7.735 1.00 0.00 C ATOM 0 H VAL A 55 -7.740 -14.307 9.198 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.387 -13.883 7.197 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.193 -15.228 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.420 -14.402 10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.735 -14.819 10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.210 -13.114 10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.009 -13.578 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.817 -12.260 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.762 -13.414 6.672 1.00 0.00 H new ATOM 836 N ASN A 56 -8.680 -12.231 9.890 1.00 0.00 N ATOM 837 CA ASN A 56 -8.417 -10.910 10.441 1.00 0.00 C ATOM 838 C ASN A 56 -9.684 -10.070 10.417 1.00 0.00 C ATOM 839 O ASN A 56 -9.987 -9.403 9.428 1.00 0.00 O ATOM 840 CB ASN A 56 -7.307 -10.216 9.667 1.00 0.00 C ATOM 841 CG ASN A 56 -5.974 -10.909 9.853 1.00 0.00 C ATOM 842 OD1 ASN A 56 -5.918 -12.182 9.482 1.00 0.00 O flip ATOM 843 ND2 ASN A 56 -5.007 -10.310 10.323 1.00 0.00 N flip ATOM 0 H ASN A 56 -8.315 -13.003 10.448 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.092 -11.026 11.475 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.561 -10.195 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.227 -9.180 9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.096 -9.331 10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.116 -10.793 10.441 1.00 0.00 H new ATOM 850 N ASP A 57 -10.443 -10.131 11.507 1.00 0.00 N ATOM 851 CA ASP A 57 -11.704 -9.395 11.603 1.00 0.00 C ATOM 852 C ASP A 57 -11.540 -7.944 11.145 1.00 0.00 C ATOM 853 O ASP A 57 -12.380 -7.429 10.404 1.00 0.00 O ATOM 854 CB ASP A 57 -12.232 -9.431 13.043 1.00 0.00 C ATOM 855 CG ASP A 57 -12.776 -10.792 13.427 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.705 -11.274 12.746 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.273 -11.376 14.407 1.00 0.00 O ATOM 0 H ASP A 57 -10.210 -10.680 12.335 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.423 -9.880 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.429 -9.158 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.017 -8.684 13.158 1.00 0.00 H new ATOM 862 N GLY A 58 -10.457 -7.295 11.558 1.00 0.00 N ATOM 863 CA GLY A 58 -10.214 -5.930 11.139 1.00 0.00 C ATOM 864 C GLY A 58 -9.419 -5.885 9.857 1.00 0.00 C ATOM 865 O GLY A 58 -8.377 -5.235 9.787 1.00 0.00 O ATOM 0 H GLY A 58 -9.746 -7.689 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.165 -5.415 10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.676 -5.397 11.923 1.00 0.00 H new ATOM 869 N ASP A 59 -9.913 -6.586 8.839 1.00 0.00 N ATOM 870 CA ASP A 59 -9.241 -6.637 7.538 1.00 0.00 C ATOM 871 C ASP A 59 -10.240 -6.960 6.431 1.00 0.00 C ATOM 872 O ASP A 59 -10.787 -8.061 6.384 1.00 0.00 O ATOM 873 CB ASP A 59 -8.109 -7.690 7.540 1.00 0.00 C ATOM 874 CG ASP A 59 -6.732 -7.068 7.646 1.00 0.00 C ATOM 875 OD1 ASP A 59 -6.523 -6.233 8.550 1.00 0.00 O ATOM 876 OD2 ASP A 59 -5.856 -7.423 6.828 1.00 0.00 O ATOM 0 H ASP A 59 -10.776 -7.127 8.888 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.805 -5.656 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.258 -8.376 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.167 -8.281 6.626 1.00 0.00 H new ATOM 881 N LEU A 60 -10.481 -6.000 5.538 1.00 0.00 N ATOM 882 CA LEU A 60 -11.417 -6.210 4.437 1.00 0.00 C ATOM 883 C LEU A 60 -10.957 -7.378 3.579 1.00 0.00 C ATOM 884 O LEU A 60 -9.762 -7.538 3.336 1.00 0.00 O ATOM 885 CB LEU A 60 -11.568 -4.945 3.585 1.00 0.00 C ATOM 886 CG LEU A 60 -11.775 -3.642 4.362 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.452 -2.606 3.481 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.599 -3.889 5.621 1.00 0.00 C ATOM 0 H LEU A 60 -10.045 -5.078 5.556 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.394 -6.442 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.678 -4.839 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.413 -5.082 2.910 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.799 -3.262 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.593 -1.684 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.828 -2.406 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.421 -2.983 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.734 -2.950 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.573 -4.292 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.080 -4.602 6.262 1.00 0.00 H new ATOM 900 N THR A 61 -11.899 -8.210 3.142 1.00 0.00 N ATOM 901 CA THR A 61 -11.553 -9.379 2.340 1.00 0.00 C ATOM 902 C THR A 61 -12.251 -9.384 0.979 1.00 0.00 C ATOM 903 O THR A 61 -13.443 -9.133 0.871 1.00 0.00 O ATOM 904 CB THR A 61 -11.869 -10.663 3.114 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.146 -11.167 2.756 1.00 0.00 O ATOM 906 CG2 THR A 61 -11.857 -10.475 4.618 1.00 0.00 C ATOM 0 H THR A 61 -12.896 -8.099 3.327 1.00 0.00 H new ATOM 0 HA THR A 61 -10.482 -9.331 2.144 1.00 0.00 H new ATOM 0 HB THR A 61 -11.078 -11.363 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.602 -11.502 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.088 -11.422 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.871 -10.136 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.603 -9.731 4.898 1.00 0.00 H new ATOM 914 N ILE A 62 -11.468 -9.678 -0.059 1.00 0.00 N ATOM 915 CA ILE A 62 -11.959 -9.734 -1.431 1.00 0.00 C ATOM 916 C ILE A 62 -11.669 -11.101 -2.049 1.00 0.00 C ATOM 917 O ILE A 62 -10.572 -11.336 -2.551 1.00 0.00 O ATOM 918 CB ILE A 62 -11.299 -8.653 -2.321 1.00 0.00 C ATOM 919 CG1 ILE A 62 -10.098 -8.001 -1.623 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.317 -7.604 -2.708 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.475 -7.111 -0.456 1.00 0.00 C ATOM 0 H ILE A 62 -10.473 -9.884 0.031 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.033 -9.556 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.930 -9.142 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.427 -8.784 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.542 -7.411 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.841 -6.849 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.131 -8.073 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.714 -7.133 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.573 -6.687 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.120 -6.306 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.003 -7.699 0.294 1.00 0.00 H new ATOM 933 N GLU A 63 -12.644 -12.005 -2.021 1.00 0.00 N ATOM 934 CA GLU A 63 -12.450 -13.334 -2.592 1.00 0.00 C ATOM 935 C GLU A 63 -12.115 -13.236 -4.073 1.00 0.00 C ATOM 936 O GLU A 63 -12.513 -12.283 -4.744 1.00 0.00 O ATOM 937 CB GLU A 63 -13.694 -14.192 -2.402 1.00 0.00 C ATOM 938 CG GLU A 63 -13.446 -15.680 -2.575 1.00 0.00 C ATOM 939 CD GLU A 63 -14.688 -16.510 -2.364 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.763 -16.106 -2.863 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.596 -17.555 -1.688 1.00 0.00 O ATOM 0 H GLU A 63 -13.566 -11.845 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.617 -13.804 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.098 -14.014 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.455 -13.875 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.057 -15.865 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.678 -16.000 -1.871 1.00 0.00 H new ATOM 948 N LYS A 64 -11.376 -14.217 -4.581 1.00 0.00 N ATOM 949 CA LYS A 64 -10.994 -14.209 -5.988 1.00 0.00 C ATOM 950 C LYS A 64 -10.559 -15.583 -6.476 1.00 0.00 C ATOM 951 O LYS A 64 -10.733 -16.588 -5.785 1.00 0.00 O ATOM 952 CB LYS A 64 -9.874 -13.190 -6.216 1.00 0.00 C ATOM 953 CG LYS A 64 -10.348 -11.908 -6.889 1.00 0.00 C ATOM 954 CD LYS A 64 -10.327 -12.021 -8.408 1.00 0.00 C ATOM 955 CE LYS A 64 -8.926 -12.307 -8.927 1.00 0.00 C ATOM 956 NZ LYS A 64 -8.800 -12.002 -10.379 1.00 0.00 N ATOM 0 H LYS A 64 -11.034 -15.017 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.874 -13.926 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.419 -12.941 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.097 -13.647 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.360 -11.676 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.713 -11.079 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.002 -12.816 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.697 -11.095 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.203 -11.714 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.681 -13.355 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.372 -12.814 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.742 -11.815 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.198 -11.164 -10.507 1.00 0.00 H new ATOM 970 N SER A 65 -10.004 -15.601 -7.695 1.00 0.00 N ATOM 971 CA SER A 65 -9.520 -16.807 -8.371 1.00 0.00 C ATOM 972 C SER A 65 -9.803 -18.107 -7.616 1.00 0.00 C ATOM 973 O SER A 65 -10.638 -18.904 -8.034 1.00 0.00 O ATOM 974 CB SER A 65 -8.023 -16.694 -8.648 1.00 0.00 C ATOM 975 OG SER A 65 -7.700 -17.183 -9.936 1.00 0.00 O ATOM 0 H SER A 65 -9.877 -14.755 -8.250 1.00 0.00 H new ATOM 0 HA SER A 65 -10.081 -16.864 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.713 -15.652 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.468 -17.253 -7.895 1.00 0.00 H new ATOM 0 HG SER A 65 -6.735 -17.097 -10.086 1.00 0.00 H new ATOM 981 N GLY A 66 -9.089 -18.322 -6.515 1.00 0.00 N ATOM 982 CA GLY A 66 -9.277 -19.546 -5.758 1.00 0.00 C ATOM 983 C GLY A 66 -8.997 -19.411 -4.275 1.00 0.00 C ATOM 984 O GLY A 66 -8.696 -20.403 -3.610 1.00 0.00 O ATOM 0 H GLY A 66 -8.392 -17.680 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.303 -19.889 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.627 -20.318 -6.170 1.00 0.00 H new ATOM 988 N VAL A 67 -9.097 -18.196 -3.746 1.00 0.00 N ATOM 989 CA VAL A 67 -8.852 -17.968 -2.328 1.00 0.00 C ATOM 990 C VAL A 67 -9.580 -16.712 -1.840 1.00 0.00 C ATOM 991 O VAL A 67 -10.563 -16.280 -2.444 1.00 0.00 O ATOM 992 CB VAL A 67 -7.340 -17.832 -2.034 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.560 -18.987 -2.636 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.805 -16.497 -2.538 1.00 0.00 C ATOM 0 H VAL A 67 -9.344 -17.359 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.238 -18.835 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.207 -17.864 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.500 -18.865 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.914 -19.926 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.705 -19.000 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.740 -16.426 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.960 -16.426 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.333 -15.683 -2.041 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.083 -16.126 -0.752 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.672 -14.917 -0.194 1.00 0.00 C ATOM 1006 C GLN A 68 -8.591 -13.870 0.068 1.00 0.00 C ATOM 1007 O GLN A 68 -7.591 -14.147 0.730 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.424 -15.242 1.097 1.00 0.00 C ATOM 1009 CG GLN A 68 -11.934 -15.149 0.960 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.467 -13.772 1.287 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -11.795 -12.747 0.790 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -13.473 -13.632 1.980 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.271 -16.473 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.380 -14.509 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.158 -16.249 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.096 -14.559 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.219 -15.412 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.400 -15.881 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.960 -14.451 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.820 -12.697 2.192 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.795 -12.669 -0.465 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.832 -11.582 -0.298 1.00 0.00 C ATOM 1023 C LEU A 69 -8.244 -10.643 0.831 1.00 0.00 C ATOM 1024 O LEU A 69 -9.030 -9.724 0.623 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.701 -10.788 -1.599 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.450 -11.084 -2.418 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.211 -10.626 -1.676 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.363 -12.567 -2.744 1.00 0.00 C ATOM 0 H LEU A 69 -9.617 -12.423 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.871 -12.028 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.576 -10.988 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.716 -9.725 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.513 -10.532 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.327 -10.845 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.271 -9.553 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.143 -11.151 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.464 -12.759 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.323 -13.141 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.240 -12.865 -3.319 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.703 -10.867 2.019 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.021 -10.020 3.163 1.00 0.00 C ATOM 1042 C VAL A 70 -6.875 -9.049 3.457 1.00 0.00 C ATOM 1043 O VAL A 70 -5.814 -9.441 3.937 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.402 -10.857 4.412 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.847 -12.256 4.012 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.271 -10.931 5.420 1.00 0.00 C ATOM 0 H VAL A 70 -7.046 -11.622 2.217 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.899 -9.428 2.904 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.236 -10.346 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.109 -12.824 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.716 -12.188 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.035 -12.760 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.585 -11.527 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.400 -11.394 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.014 -9.925 5.753 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.091 -7.777 3.143 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.066 -6.759 3.357 1.00 0.00 C ATOM 1058 C ILE A 71 -6.344 -5.940 4.615 1.00 0.00 C ATOM 1059 O ILE A 71 -7.426 -6.021 5.199 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.914 -5.826 2.131 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.972 -4.719 2.133 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.994 -6.629 0.841 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.390 -5.237 2.049 1.00 0.00 C ATOM 0 H ILE A 71 -7.961 -7.426 2.742 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.124 -7.289 3.494 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.935 -5.352 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.864 -4.126 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.788 -4.050 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.885 -5.959 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.195 -7.371 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.959 -7.133 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.085 -4.397 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.516 -5.805 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.593 -5.882 2.904 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.346 -5.171 5.039 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.464 -4.354 6.246 1.00 0.00 C ATOM 1077 C ASP A 72 -5.962 -2.937 5.948 1.00 0.00 C ATOM 1078 O ASP A 72 -5.603 -2.339 4.934 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.120 -4.289 6.972 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.012 -3.747 6.091 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.103 -3.909 4.856 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.053 -3.160 6.636 1.00 0.00 O ATOM 0 H ASP A 72 -4.446 -5.095 4.566 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.207 -4.833 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.218 -3.659 7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.849 -5.286 7.319 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.800 -2.386 6.851 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.359 -1.036 6.713 1.00 0.00 C ATOM 1089 C PRO A 73 -6.323 -0.007 6.270 1.00 0.00 C ATOM 1090 O PRO A 73 -6.619 0.887 5.480 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.851 -0.723 8.125 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.219 -2.048 8.693 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.270 -3.046 8.083 1.00 0.00 C ATOM 0 HA PRO A 73 -8.134 -0.993 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.075 -0.239 8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.706 -0.047 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.133 -2.043 9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.253 -2.299 8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.442 -3.272 8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.770 -3.990 7.864 1.00 0.00 H new ATOM 1101 N MET A 74 -5.104 -0.133 6.779 1.00 0.00 N ATOM 1102 CA MET A 74 -4.040 0.789 6.419 1.00 0.00 C ATOM 1103 C MET A 74 -3.853 0.787 4.903 1.00 0.00 C ATOM 1104 O MET A 74 -3.735 1.833 4.264 1.00 0.00 O ATOM 1105 CB MET A 74 -2.746 0.408 7.158 1.00 0.00 C ATOM 1106 CG MET A 74 -1.461 0.619 6.368 1.00 0.00 C ATOM 1107 SD MET A 74 -0.090 1.156 7.409 1.00 0.00 S ATOM 1108 CE MET A 74 -0.492 2.886 7.634 1.00 0.00 C ATOM 0 H MET A 74 -4.831 -0.861 7.439 1.00 0.00 H new ATOM 0 HA MET A 74 -4.305 1.802 6.722 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.687 0.990 8.078 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.807 -0.641 7.447 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.190 -0.310 5.867 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.635 1.362 5.590 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.285 3.366 8.229 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.557 3.374 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.449 2.973 8.149 1.00 0.00 H new ATOM 1118 N SER A 75 -3.863 -0.394 4.325 1.00 0.00 N ATOM 1119 CA SER A 75 -3.728 -0.519 2.888 1.00 0.00 C ATOM 1120 C SER A 75 -5.047 -0.164 2.209 1.00 0.00 C ATOM 1121 O SER A 75 -5.062 0.342 1.089 1.00 0.00 O ATOM 1122 CB SER A 75 -3.303 -1.941 2.512 1.00 0.00 C ATOM 1123 OG SER A 75 -2.145 -2.333 3.229 1.00 0.00 O ATOM 0 H SER A 75 -3.963 -1.278 4.824 1.00 0.00 H new ATOM 0 HA SER A 75 -2.957 0.172 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.117 -2.635 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.107 -1.994 1.441 1.00 0.00 H new ATOM 0 HG SER A 75 -2.290 -3.217 3.626 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.157 -0.436 2.899 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.491 -0.159 2.365 1.00 0.00 C ATOM 1131 C LEU A 76 -7.554 1.200 1.675 1.00 0.00 C ATOM 1132 O LEU A 76 -8.123 1.328 0.594 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.533 -0.252 3.485 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.645 0.801 3.467 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.810 0.326 4.301 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.129 2.124 4.001 1.00 0.00 C ATOM 0 H LEU A 76 -6.157 -0.849 3.832 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.715 -0.912 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.995 -1.238 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.014 -0.185 4.441 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.975 0.947 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.599 1.078 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.192 -0.610 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.481 0.166 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.931 2.862 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.782 1.992 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.303 2.470 3.380 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.977 2.210 2.312 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.981 3.553 1.755 1.00 0.00 C ATOM 1150 C GLN A 77 -5.861 3.731 0.730 1.00 0.00 C ATOM 1151 O GLN A 77 -5.928 4.615 -0.124 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.904 4.612 2.872 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.528 5.233 3.097 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.976 4.905 4.464 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.000 3.627 4.807 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.533 5.787 5.200 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.503 2.124 3.211 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.925 3.697 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.610 5.410 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.234 4.155 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.839 4.875 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.596 6.315 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.536 6.759 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.163 5.546 6.119 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.833 2.886 0.813 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.716 2.964 -0.117 1.00 0.00 C ATOM 1167 C TYR A 78 -4.045 2.270 -1.438 1.00 0.00 C ATOM 1168 O TYR A 78 -3.669 2.742 -2.511 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.470 2.313 0.487 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.810 3.123 1.578 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.539 3.588 2.662 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.452 3.409 1.528 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.936 4.317 3.668 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.160 4.138 2.529 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.586 4.589 3.597 1.00 0.00 C ATOM 1176 OH TYR A 78 0.019 5.316 4.597 1.00 0.00 O ATOM 0 H TYR A 78 -4.754 2.146 1.511 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.525 4.020 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.743 1.338 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.745 2.138 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.596 3.376 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.135 3.056 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.518 4.672 4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.217 4.353 2.475 1.00 0.00 H new ATOM 0 HH TYR A 78 0.973 5.418 4.396 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.721 1.131 -1.341 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.072 0.337 -2.522 1.00 0.00 C ATOM 1188 C LEU A 79 -6.433 0.700 -3.123 1.00 0.00 C ATOM 1189 O LEU A 79 -6.742 0.305 -4.242 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.967 -1.173 -2.231 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.945 -1.805 -1.218 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.223 -2.103 0.079 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.159 -0.934 -0.945 1.00 0.00 C ATOM 0 H LEU A 79 -5.039 0.733 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.336 0.591 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.086 -1.700 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.954 -1.372 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.311 -2.729 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.920 -2.549 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.405 -2.797 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.824 -1.178 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.809 -1.431 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.835 0.025 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.705 -0.769 -1.874 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.259 1.405 -2.357 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.619 1.770 -2.784 1.00 0.00 C ATOM 1207 C ILE A 80 -8.858 1.636 -4.293 1.00 0.00 C ATOM 1208 O ILE A 80 -8.187 2.259 -5.115 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.970 3.220 -2.387 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -8.131 4.219 -3.187 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.779 3.434 -0.899 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.645 3.950 -3.137 1.00 0.00 C ATOM 0 H ILE A 80 -7.013 1.741 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.259 1.055 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.021 3.389 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.458 4.203 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.321 5.223 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.033 4.463 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.427 2.753 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.740 3.240 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.119 4.700 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.302 3.996 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.441 2.960 -3.544 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.856 0.819 -4.615 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.273 0.566 -5.987 1.00 0.00 C ATOM 1226 C GLY A 81 -9.169 0.600 -7.034 1.00 0.00 C ATOM 1227 O GLY A 81 -9.425 0.957 -8.184 1.00 0.00 O ATOM 0 H GLY A 81 -10.403 0.309 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.754 -0.411 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.028 1.304 -6.259 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.955 0.211 -6.665 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.872 0.199 -7.638 1.00 0.00 C ATOM 1233 C GLY A 82 -6.846 -1.098 -8.432 1.00 0.00 C ATOM 1234 O GLY A 82 -7.890 -1.710 -8.657 1.00 0.00 O ATOM 0 H GLY A 82 -7.700 -0.093 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.986 1.041 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.920 0.331 -7.125 1.00 0.00 H new ATOM 1238 N THR A 83 -5.656 -1.527 -8.844 1.00 0.00 N ATOM 1239 CA THR A 83 -5.510 -2.771 -9.598 1.00 0.00 C ATOM 1240 C THR A 83 -4.147 -3.403 -9.318 1.00 0.00 C ATOM 1241 O THR A 83 -3.129 -2.715 -9.312 1.00 0.00 O ATOM 1242 CB THR A 83 -5.677 -2.519 -11.099 1.00 0.00 C ATOM 1243 OG1 THR A 83 -7.041 -2.318 -11.424 1.00 0.00 O ATOM 1244 CG2 THR A 83 -5.162 -3.657 -11.959 1.00 0.00 C ATOM 0 H THR A 83 -4.780 -1.034 -8.670 1.00 0.00 H new ATOM 0 HA THR A 83 -6.291 -3.460 -9.276 1.00 0.00 H new ATOM 0 HB THR A 83 -5.085 -1.629 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.555 -2.173 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.311 -3.414 -13.011 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.099 -3.806 -11.768 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.705 -4.570 -11.717 1.00 0.00 H new ATOM 1252 N VAL A 84 -4.131 -4.714 -9.090 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.879 -5.414 -8.811 1.00 0.00 C ATOM 1254 C VAL A 84 -2.732 -6.666 -9.664 1.00 0.00 C ATOM 1255 O VAL A 84 -3.717 -7.261 -10.097 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.734 -5.802 -7.311 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.961 -5.409 -6.503 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.435 -7.286 -7.137 1.00 0.00 C ATOM 0 H VAL A 84 -4.960 -5.308 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.086 -4.710 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.884 -5.239 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.819 -5.698 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.107 -4.331 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.838 -5.917 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.341 -7.516 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.247 -7.873 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.503 -7.531 -7.645 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.487 -7.073 -9.872 1.00 0.00 N ATOM 1269 CA ASP A 85 -1.190 -8.273 -10.638 1.00 0.00 C ATOM 1270 C ASP A 85 0.114 -8.900 -10.167 1.00 0.00 C ATOM 1271 O ASP A 85 1.036 -8.199 -9.748 1.00 0.00 O ATOM 1272 CB ASP A 85 -1.127 -7.962 -12.132 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.384 -6.674 -12.429 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.943 -5.589 -12.160 1.00 0.00 O ATOM 1275 OD2 ASP A 85 0.757 -6.748 -12.931 1.00 0.00 O ATOM 0 H ASP A 85 -0.664 -6.586 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.995 -8.989 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.638 -8.787 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.140 -7.892 -12.528 1.00 0.00 H new ATOM 1280 N TYR A 86 0.184 -10.222 -10.227 1.00 0.00 N ATOM 1281 CA TYR A 86 1.369 -10.942 -9.797 1.00 0.00 C ATOM 1282 C TYR A 86 1.941 -11.781 -10.930 1.00 0.00 C ATOM 1283 O TYR A 86 1.202 -12.373 -11.717 1.00 0.00 O ATOM 1284 CB TYR A 86 1.012 -11.843 -8.618 1.00 0.00 C ATOM 1285 CG TYR A 86 1.900 -11.673 -7.409 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.279 -11.593 -7.535 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.350 -11.603 -6.136 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.088 -11.445 -6.426 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.151 -11.457 -5.021 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.520 -11.379 -5.170 1.00 0.00 C ATOM 1291 OH TYR A 86 4.322 -11.234 -4.062 1.00 0.00 O ATOM 0 H TYR A 86 -0.570 -10.817 -10.571 1.00 0.00 H new ATOM 0 HA TYR A 86 2.125 -10.217 -9.496 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.020 -11.646 -8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.058 -12.882 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.727 -11.647 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.278 -11.664 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.160 -11.381 -6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.708 -11.404 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 86 3.765 -11.203 -3.257 1.00 0.00 H new ATOM 1301 N THR A 87 3.260 -11.843 -10.992 1.00 0.00 N ATOM 1302 CA THR A 87 3.942 -12.624 -12.008 1.00 0.00 C ATOM 1303 C THR A 87 5.268 -13.119 -11.458 1.00 0.00 C ATOM 1304 O THR A 87 6.291 -12.447 -11.574 1.00 0.00 O ATOM 1305 CB THR A 87 4.168 -11.795 -13.271 1.00 0.00 C ATOM 1306 OG1 THR A 87 2.933 -11.397 -13.839 1.00 0.00 O ATOM 1307 CG2 THR A 87 4.949 -12.531 -14.340 1.00 0.00 C ATOM 0 H THR A 87 3.883 -11.358 -10.346 1.00 0.00 H new ATOM 0 HA THR A 87 3.318 -13.478 -12.274 1.00 0.00 H new ATOM 0 HB THR A 87 4.750 -10.932 -12.948 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.100 -10.866 -14.646 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.074 -11.885 -15.209 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.929 -12.807 -13.950 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.408 -13.431 -14.631 1.00 0.00 H new ATOM 1315 N GLU A 88 5.239 -14.289 -10.838 1.00 0.00 N ATOM 1316 CA GLU A 88 6.441 -14.856 -10.249 1.00 0.00 C ATOM 1317 C GLU A 88 7.504 -15.136 -11.303 1.00 0.00 C ATOM 1318 O GLU A 88 7.218 -15.173 -12.499 1.00 0.00 O ATOM 1319 CB GLU A 88 6.122 -16.134 -9.481 1.00 0.00 C ATOM 1320 CG GLU A 88 4.855 -16.043 -8.646 1.00 0.00 C ATOM 1321 CD GLU A 88 3.829 -17.084 -9.019 1.00 0.00 C ATOM 1322 OE1 GLU A 88 3.947 -18.234 -8.542 1.00 0.00 O ATOM 1323 OE2 GLU A 88 2.906 -16.761 -9.796 1.00 0.00 O ATOM 0 H GLU A 88 4.401 -14.861 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 88 6.837 -14.116 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.023 -16.957 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.961 -16.374 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.112 -16.154 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.418 -15.051 -8.765 1.00 0.00 H new ATOM 1330 N GLY A 89 8.735 -15.329 -10.843 1.00 0.00 N ATOM 1331 CA GLY A 89 9.836 -15.604 -11.748 1.00 0.00 C ATOM 1332 C GLY A 89 10.818 -16.608 -11.178 1.00 0.00 C ATOM 1333 O GLY A 89 10.420 -17.662 -10.689 1.00 0.00 O ATOM 0 H GLY A 89 8.991 -15.300 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.441 -15.982 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.360 -14.674 -11.971 1.00 0.00 H new ATOM 1337 N LEU A 90 12.104 -16.283 -11.243 1.00 0.00 N ATOM 1338 CA LEU A 90 13.146 -17.169 -10.733 1.00 0.00 C ATOM 1339 C LEU A 90 13.439 -16.873 -9.268 1.00 0.00 C ATOM 1340 O LEU A 90 14.276 -16.027 -8.950 1.00 0.00 O ATOM 1341 CB LEU A 90 14.422 -17.019 -11.562 1.00 0.00 C ATOM 1342 CG LEU A 90 14.500 -17.913 -12.797 1.00 0.00 C ATOM 1343 CD1 LEU A 90 13.211 -17.827 -13.604 1.00 0.00 C ATOM 1344 CD2 LEU A 90 15.695 -17.532 -13.656 1.00 0.00 C ATOM 0 H LEU A 90 12.451 -15.412 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 90 12.789 -18.196 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.511 -15.980 -11.879 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.279 -17.232 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 90 14.628 -18.944 -12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.287 -18.471 -14.480 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.373 -18.151 -12.987 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.050 -16.797 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.735 -18.180 -14.532 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.597 -16.495 -13.976 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.611 -17.648 -13.077 1.00 0.00 H new ATOM 1356 N GLU A 91 12.743 -17.573 -8.378 1.00 0.00 N ATOM 1357 CA GLU A 91 12.926 -17.386 -6.943 1.00 0.00 C ATOM 1358 C GLU A 91 12.820 -15.911 -6.565 1.00 0.00 C ATOM 1359 O GLU A 91 13.379 -15.478 -5.557 1.00 0.00 O ATOM 1360 CB GLU A 91 14.280 -17.942 -6.503 1.00 0.00 C ATOM 1361 CG GLU A 91 14.532 -19.365 -6.973 1.00 0.00 C ATOM 1362 CD GLU A 91 16.007 -19.674 -7.137 1.00 0.00 C ATOM 1363 OE1 GLU A 91 16.798 -18.720 -7.299 1.00 0.00 O ATOM 1364 OE2 GLU A 91 16.370 -20.864 -7.106 1.00 0.00 O ATOM 0 H GLU A 91 12.046 -18.276 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 91 12.134 -17.930 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.071 -17.296 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.341 -17.911 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.096 -20.062 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.024 -19.525 -7.924 1.00 0.00 H new ATOM 1371 N GLY A 92 12.098 -15.145 -7.378 1.00 0.00 N ATOM 1372 CA GLY A 92 11.931 -13.732 -7.109 1.00 0.00 C ATOM 1373 C GLY A 92 10.653 -13.197 -7.712 1.00 0.00 C ATOM 1374 O GLY A 92 10.684 -12.384 -8.634 1.00 0.00 O ATOM 0 H GLY A 92 11.626 -15.480 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.923 -13.565 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.782 -13.182 -7.511 1.00 0.00 H new ATOM 1378 N SER A 93 9.523 -13.669 -7.198 1.00 0.00 N ATOM 1379 CA SER A 93 8.228 -13.247 -7.700 1.00 0.00 C ATOM 1380 C SER A 93 8.050 -11.748 -7.562 1.00 0.00 C ATOM 1381 O SER A 93 8.056 -11.201 -6.460 1.00 0.00 O ATOM 1382 CB SER A 93 7.103 -13.982 -6.971 1.00 0.00 C ATOM 1383 OG SER A 93 7.117 -13.689 -5.584 1.00 0.00 O ATOM 0 H SER A 93 9.481 -14.344 -6.434 1.00 0.00 H new ATOM 0 HA SER A 93 8.183 -13.499 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.141 -13.695 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.210 -15.056 -7.120 1.00 0.00 H new ATOM 0 HG SER A 93 7.358 -12.749 -5.451 1.00 0.00 H new ATOM 1389 N ARG A 94 7.887 -11.091 -8.701 1.00 0.00 N ATOM 1390 CA ARG A 94 7.700 -9.644 -8.725 1.00 0.00 C ATOM 1391 C ARG A 94 6.234 -9.292 -8.503 1.00 0.00 C ATOM 1392 O ARG A 94 5.344 -10.098 -8.773 1.00 0.00 O ATOM 1393 CB ARG A 94 8.202 -9.047 -10.045 1.00 0.00 C ATOM 1394 CG ARG A 94 7.618 -9.699 -11.289 1.00 0.00 C ATOM 1395 CD ARG A 94 6.182 -9.263 -11.531 1.00 0.00 C ATOM 1396 NE ARG A 94 5.998 -8.711 -12.872 1.00 0.00 N ATOM 1397 CZ ARG A 94 6.271 -7.450 -13.201 1.00 0.00 C ATOM 1398 NH1 ARG A 94 6.744 -6.605 -12.292 1.00 0.00 N ATOM 1399 NH2 ARG A 94 6.074 -7.031 -14.443 1.00 0.00 N ATOM 0 H ARG A 94 7.880 -11.534 -9.620 1.00 0.00 H new ATOM 0 HA ARG A 94 8.288 -9.213 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.966 -7.983 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.288 -9.133 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.227 -9.441 -12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.656 -10.783 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.516 -10.115 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.900 -8.516 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 94 5.639 -9.329 -13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.900 -6.921 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.951 -5.640 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.713 -7.675 -15.147 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.283 -6.065 -14.695 1.00 0.00 H new ATOM 1413 N PHE A 95 5.989 -8.089 -7.995 1.00 0.00 N ATOM 1414 CA PHE A 95 4.628 -7.644 -7.722 1.00 0.00 C ATOM 1415 C PHE A 95 4.432 -6.183 -8.119 1.00 0.00 C ATOM 1416 O PHE A 95 5.249 -5.327 -7.785 1.00 0.00 O ATOM 1417 CB PHE A 95 4.314 -7.826 -6.235 1.00 0.00 C ATOM 1418 CG PHE A 95 2.847 -7.814 -5.918 1.00 0.00 C ATOM 1419 CD1 PHE A 95 1.942 -8.465 -6.739 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.374 -7.153 -4.795 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.594 -8.456 -6.448 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.027 -7.142 -4.498 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.134 -7.795 -5.326 1.00 0.00 C ATOM 0 H PHE A 95 6.712 -7.407 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 95 3.946 -8.250 -8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.741 -8.770 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.804 -7.033 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.296 -8.985 -7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.068 -6.641 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.102 -8.966 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.671 -6.624 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.921 -7.788 -5.096 1.00 0.00 H new ATOM 1433 N THR A 96 3.340 -5.906 -8.829 1.00 0.00 N ATOM 1434 CA THR A 96 3.045 -4.543 -9.261 1.00 0.00 C ATOM 1435 C THR A 96 1.562 -4.221 -9.099 1.00 0.00 C ATOM 1436 O THR A 96 0.697 -4.981 -9.533 1.00 0.00 O ATOM 1437 CB THR A 96 3.464 -4.335 -10.715 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.582 -5.146 -11.036 1.00 0.00 O ATOM 1439 CG2 THR A 96 3.830 -2.901 -11.029 1.00 0.00 C ATOM 0 H THR A 96 2.651 -6.601 -9.115 1.00 0.00 H new ATOM 0 HA THR A 96 3.617 -3.866 -8.626 1.00 0.00 H new ATOM 0 HB THR A 96 2.594 -4.611 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.029 -4.787 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.118 -2.820 -12.077 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.972 -2.256 -10.838 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.664 -2.592 -10.399 1.00 0.00 H new ATOM 1447 N VAL A 97 1.280 -3.087 -8.464 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.094 -2.651 -8.234 1.00 0.00 C ATOM 1449 C VAL A 97 -0.296 -1.222 -8.731 1.00 0.00 C ATOM 1450 O VAL A 97 0.670 -0.512 -9.012 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.460 -2.718 -6.736 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.964 -2.674 -6.539 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.117 -3.968 -6.089 1.00 0.00 C ATOM 0 H VAL A 97 1.988 -2.451 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.745 -3.327 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.023 -1.845 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.193 -2.723 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.358 -1.746 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.423 -3.522 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.156 -3.990 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.282 -4.852 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.203 -3.958 -6.183 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.554 -0.804 -8.841 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.870 0.541 -9.308 1.00 0.00 C ATOM 1465 C ASN A 98 -3.080 1.107 -8.573 1.00 0.00 C ATOM 1466 O ASN A 98 -3.985 0.369 -8.185 1.00 0.00 O ATOM 1467 CB ASN A 98 -2.130 0.528 -10.814 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.989 -0.103 -11.587 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.152 0.353 -11.513 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -1.291 -1.158 -12.336 1.00 0.00 N ATOM 0 H ASN A 98 -2.368 -1.375 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 98 -1.014 1.182 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.051 -0.019 -11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.282 1.549 -11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.563 -1.623 -12.879 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.250 -1.503 -12.368 1.00 0.00 H new ATOM 1477 N ASN A 99 -3.086 2.422 -8.386 1.00 0.00 N ATOM 1478 CA ASN A 99 -4.182 3.095 -7.698 1.00 0.00 C ATOM 1479 C ASN A 99 -3.982 4.610 -7.725 1.00 0.00 C ATOM 1480 O ASN A 99 -2.891 5.093 -8.031 1.00 0.00 O ATOM 1481 CB ASN A 99 -4.288 2.597 -6.254 1.00 0.00 C ATOM 1482 CG ASN A 99 -2.936 2.445 -5.592 1.00 0.00 C ATOM 1483 OD1 ASN A 99 -2.123 3.365 -5.602 1.00 0.00 O ATOM 1484 ND2 ASN A 99 -2.690 1.278 -5.014 1.00 0.00 N ATOM 0 H ASN A 99 -2.342 3.045 -8.702 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.112 2.861 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.895 3.294 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.805 1.638 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.795 1.116 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.396 0.542 -5.030 1.00 0.00 H new ATOM 1491 N PRO A 100 -5.037 5.384 -7.416 1.00 0.00 N ATOM 1492 CA PRO A 100 -4.969 6.850 -7.420 1.00 0.00 C ATOM 1493 C PRO A 100 -3.911 7.392 -6.463 1.00 0.00 C ATOM 1494 O PRO A 100 -3.249 8.388 -6.757 1.00 0.00 O ATOM 1495 CB PRO A 100 -6.371 7.287 -6.973 1.00 0.00 C ATOM 1496 CG PRO A 100 -6.984 6.079 -6.350 1.00 0.00 C ATOM 1497 CD PRO A 100 -6.376 4.898 -7.050 1.00 0.00 C ATOM 0 HA PRO A 100 -4.685 7.232 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.317 8.111 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.962 7.635 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -6.780 6.046 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.068 6.087 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.325 4.025 -6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.954 4.607 -7.927 1.00 0.00 H new ATOM 1505 N ASN A 101 -3.758 6.735 -5.320 1.00 0.00 N ATOM 1506 CA ASN A 101 -2.781 7.158 -4.323 1.00 0.00 C ATOM 1507 C ASN A 101 -1.354 6.927 -4.827 1.00 0.00 C ATOM 1508 O ASN A 101 -0.436 7.670 -4.475 1.00 0.00 O ATOM 1509 CB ASN A 101 -3.030 6.426 -2.993 1.00 0.00 C ATOM 1510 CG ASN A 101 -1.892 5.507 -2.580 1.00 0.00 C ATOM 1511 OD1 ASN A 101 -1.222 5.743 -1.576 1.00 0.00 O ATOM 1512 ND2 ASN A 101 -1.672 4.456 -3.358 1.00 0.00 N ATOM 0 H ASN A 101 -4.297 5.909 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.898 8.228 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.193 7.164 -2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.946 5.841 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.921 3.803 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.254 4.300 -4.181 1.00 0.00 H new ATOM 1519 N ALA A 102 -1.174 5.900 -5.652 1.00 0.00 N ATOM 1520 CA ALA A 102 0.142 5.584 -6.201 1.00 0.00 C ATOM 1521 C ALA A 102 0.505 6.532 -7.340 1.00 0.00 C ATOM 1522 O ALA A 102 0.702 6.105 -8.479 1.00 0.00 O ATOM 1523 CB ALA A 102 0.190 4.141 -6.680 1.00 0.00 C ATOM 0 H ALA A 102 -1.920 5.274 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 102 0.875 5.713 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.178 3.925 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.013 3.473 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.561 3.990 -7.455 1.00 0.00 H new ATOM 1529 N THR A 103 0.591 7.819 -7.027 1.00 0.00 N ATOM 1530 CA THR A 103 0.931 8.826 -8.025 1.00 0.00 C ATOM 1531 C THR A 103 2.396 9.236 -7.904 1.00 0.00 C ATOM 1532 O THR A 103 3.033 9.595 -8.893 1.00 0.00 O ATOM 1533 CB THR A 103 0.028 10.051 -7.871 1.00 0.00 C ATOM 1534 OG1 THR A 103 -0.465 10.148 -6.547 1.00 0.00 O ATOM 1535 CG2 THR A 103 -1.162 10.038 -8.806 1.00 0.00 C ATOM 0 H THR A 103 0.430 8.190 -6.091 1.00 0.00 H new ATOM 0 HA THR A 103 0.775 8.393 -9.013 1.00 0.00 H new ATOM 0 HB THR A 103 0.656 10.906 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.310 9.656 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.761 10.934 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.813 10.015 -9.838 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.770 9.155 -8.609 1.00 0.00 H new ATOM 1543 N SER A 104 2.921 9.179 -6.684 1.00 0.00 N ATOM 1544 CA SER A 104 4.311 9.542 -6.430 1.00 0.00 C ATOM 1545 C SER A 104 4.590 10.976 -6.868 1.00 0.00 C ATOM 1546 O SER A 104 3.805 11.577 -7.602 1.00 0.00 O ATOM 1547 CB SER A 104 5.253 8.582 -7.157 1.00 0.00 C ATOM 1548 OG SER A 104 5.403 8.944 -8.520 1.00 0.00 O ATOM 0 H SER A 104 2.404 8.885 -5.855 1.00 0.00 H new ATOM 0 HA SER A 104 4.487 9.469 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.227 8.585 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.865 7.566 -7.089 1.00 0.00 H new ATOM 0 HG SER A 104 4.519 9.028 -8.935 1.00 0.00 H new ATOM 1554 N THR A 105 5.714 11.520 -6.412 1.00 0.00 N ATOM 1555 CA THR A 105 6.097 12.883 -6.757 1.00 0.00 C ATOM 1556 C THR A 105 7.600 13.085 -6.587 1.00 0.00 C ATOM 1557 O THR A 105 8.155 12.829 -5.519 1.00 0.00 O ATOM 1558 CB THR A 105 5.336 13.885 -5.887 1.00 0.00 C ATOM 1559 OG1 THR A 105 4.060 13.378 -5.540 1.00 0.00 O ATOM 1560 CG2 THR A 105 5.130 15.226 -6.558 1.00 0.00 C ATOM 0 H THR A 105 6.375 11.037 -5.803 1.00 0.00 H new ATOM 0 HA THR A 105 5.841 13.052 -7.803 1.00 0.00 H new ATOM 0 HB THR A 105 5.958 14.031 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.589 14.032 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.584 15.889 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.098 15.667 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.559 15.089 -7.476 1.00 0.00 H new ATOM 1568 N CYS A 106 8.253 13.545 -7.649 1.00 0.00 N ATOM 1569 CA CYS A 106 9.692 13.781 -7.619 1.00 0.00 C ATOM 1570 C CYS A 106 9.995 15.272 -7.506 1.00 0.00 C ATOM 1571 O CYS A 106 9.906 16.009 -8.488 1.00 0.00 O ATOM 1572 CB CYS A 106 10.351 13.207 -8.874 1.00 0.00 C ATOM 1573 SG CYS A 106 10.801 11.462 -8.739 1.00 0.00 S ATOM 0 H CYS A 106 7.809 13.762 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 106 10.100 13.278 -6.742 1.00 0.00 H new ATOM 0 HB2 CYS A 106 9.672 13.332 -9.717 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.247 13.786 -9.098 1.00 0.00 H new ATOM 0 HG CYS A 106 11.349 11.068 -9.850 1.00 0.00 H new ATOM 1579 N GLY A 107 10.355 15.708 -6.304 1.00 0.00 N ATOM 1580 CA GLY A 107 10.665 17.109 -6.085 1.00 0.00 C ATOM 1581 C GLY A 107 10.261 17.588 -4.703 1.00 0.00 C ATOM 1582 O GLY A 107 10.736 18.624 -4.238 1.00 0.00 O ATOM 0 H GLY A 107 10.438 15.116 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 107 11.735 17.266 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.156 17.712 -6.837 1.00 0.00 H new ATOM 1586 N CYS A 108 9.381 16.838 -4.043 1.00 0.00 N ATOM 1587 CA CYS A 108 8.919 17.200 -2.708 1.00 0.00 C ATOM 1588 C CYS A 108 9.931 16.776 -1.648 1.00 0.00 C ATOM 1589 O CYS A 108 10.375 17.590 -0.839 1.00 0.00 O ATOM 1590 CB CYS A 108 7.562 16.554 -2.422 1.00 0.00 C ATOM 1591 SG CYS A 108 6.231 17.122 -3.506 1.00 0.00 S ATOM 0 H CYS A 108 8.975 15.978 -4.411 1.00 0.00 H new ATOM 0 HA CYS A 108 8.813 18.284 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.659 15.473 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.285 16.758 -1.388 1.00 0.00 H new ATOM 0 HG CYS A 108 5.125 16.518 -3.188 1.00 0.00 H new ATOM 1597 N GLY A 109 10.291 15.497 -1.660 1.00 0.00 N ATOM 1598 CA GLY A 109 11.247 14.987 -0.695 1.00 0.00 C ATOM 1599 C GLY A 109 10.748 15.098 0.732 1.00 0.00 C ATOM 1600 O GLY A 109 9.559 15.319 0.964 1.00 0.00 O ATOM 0 H GLY A 109 9.938 14.805 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.464 13.943 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.184 15.535 -0.792 1.00 0.00 H new ATOM 1604 N SER A 110 11.657 14.944 1.689 1.00 0.00 N ATOM 1605 CA SER A 110 11.303 15.027 3.102 1.00 0.00 C ATOM 1606 C SER A 110 10.314 13.931 3.482 1.00 0.00 C ATOM 1607 O SER A 110 9.200 13.879 2.962 1.00 0.00 O ATOM 1608 CB SER A 110 10.709 16.400 3.421 1.00 0.00 C ATOM 1609 OG SER A 110 11.446 17.435 2.793 1.00 0.00 O ATOM 0 H SER A 110 12.645 14.761 1.512 1.00 0.00 H new ATOM 0 HA SER A 110 12.212 14.888 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.671 16.436 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.705 16.556 4.500 1.00 0.00 H new ATOM 0 HG SER A 110 11.044 18.302 3.012 1.00 0.00 H new ATOM 1615 N SER A 111 10.729 13.056 4.392 1.00 0.00 N ATOM 1616 CA SER A 111 9.879 11.960 4.843 1.00 0.00 C ATOM 1617 C SER A 111 10.275 11.504 6.243 1.00 0.00 C ATOM 1618 O SER A 111 11.377 10.997 6.453 1.00 0.00 O ATOM 1619 CB SER A 111 9.967 10.785 3.868 1.00 0.00 C ATOM 1620 OG SER A 111 8.958 10.869 2.876 1.00 0.00 O ATOM 0 H SER A 111 11.649 13.085 4.832 1.00 0.00 H new ATOM 0 HA SER A 111 8.851 12.321 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.948 10.775 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.867 9.847 4.414 1.00 0.00 H new ATOM 0 HG SER A 111 8.786 11.810 2.663 1.00 0.00 H new ATOM 1626 N PHE A 112 9.369 11.688 7.199 1.00 0.00 N ATOM 1627 CA PHE A 112 9.625 11.297 8.580 1.00 0.00 C ATOM 1628 C PHE A 112 9.477 9.793 8.756 1.00 0.00 C ATOM 1629 O PHE A 112 9.283 9.056 7.789 1.00 0.00 O ATOM 1630 CB PHE A 112 8.660 12.008 9.526 1.00 0.00 C ATOM 1631 CG PHE A 112 8.635 13.500 9.354 1.00 0.00 C ATOM 1632 CD1 PHE A 112 9.496 14.309 10.079 1.00 0.00 C ATOM 1633 CD2 PHE A 112 7.751 14.094 8.467 1.00 0.00 C ATOM 1634 CE1 PHE A 112 9.475 15.682 9.921 1.00 0.00 C ATOM 1635 CE2 PHE A 112 7.725 15.466 8.306 1.00 0.00 C ATOM 1636 CZ PHE A 112 8.589 16.261 9.034 1.00 0.00 C ATOM 0 H PHE A 112 8.452 12.105 7.042 1.00 0.00 H new ATOM 0 HA PHE A 112 10.649 11.585 8.820 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.655 11.616 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.935 11.774 10.554 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.191 13.862 10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.074 13.477 7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.151 16.302 10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.030 15.916 7.612 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.572 17.334 8.910 1.00 0.00 H new ATOM 1646 N SER A 113 9.563 9.346 10.004 1.00 0.00 N ATOM 1647 CA SER A 113 9.429 7.935 10.320 1.00 0.00 C ATOM 1648 C SER A 113 8.181 7.688 11.156 1.00 0.00 C ATOM 1649 O SER A 113 7.615 8.612 11.739 1.00 0.00 O ATOM 1650 CB SER A 113 10.662 7.437 11.071 1.00 0.00 C ATOM 1651 OG SER A 113 10.696 7.946 12.393 1.00 0.00 O ATOM 0 H SER A 113 9.725 9.945 10.813 1.00 0.00 H new ATOM 0 HA SER A 113 9.338 7.385 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.659 6.347 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.563 7.741 10.538 1.00 0.00 H new ATOM 0 HG SER A 113 11.494 7.611 12.852 1.00 0.00 H new ATOM 1657 N ILE A 114 7.760 6.433 11.208 1.00 0.00 N ATOM 1658 CA ILE A 114 6.579 6.044 11.966 1.00 0.00 C ATOM 1659 C ILE A 114 6.622 6.593 13.390 1.00 0.00 C ATOM 1660 O ILE A 114 7.734 6.692 13.952 1.00 0.00 O ATOM 1661 CB ILE A 114 6.426 4.509 12.012 1.00 0.00 C ATOM 1662 CG1 ILE A 114 7.524 3.874 12.874 1.00 0.00 C ATOM 1663 CG2 ILE A 114 6.451 3.933 10.604 1.00 0.00 C ATOM 1664 CD1 ILE A 114 8.913 4.010 12.289 1.00 0.00 C ATOM 1665 OXT ILE A 114 5.545 6.918 13.931 1.00 0.00 O ATOM 0 H ILE A 114 8.223 5.660 10.730 1.00 0.00 H new ATOM 0 HA ILE A 114 5.718 6.472 11.452 1.00 0.00 H new ATOM 0 HB ILE A 114 5.464 4.275 12.467 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.509 4.334 13.862 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.299 2.816 13.011 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.342 2.850 10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.630 4.355 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.399 4.182 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.636 3.537 12.954 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.946 3.525 11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.159 5.066 12.178 1.00 0.00 H new TER 1677 ILE A 114