USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot -150:sc= 0.849 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.0938 USER MOD Set 2.2: A 85 MET CE :methyl 172:sc= -0.969 (180deg=-0.994) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.0188 (180deg=-0.234) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0437) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -95:sc= 0.522 USER MOD Single : A 17 MET CE :methyl -164:sc= -0.157 (180deg=-0.677) USER MOD Single : A 23 ASN : amide:sc= 0.385 X(o=0.39,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -3.48! C(o=-4.4!,f=-3.5!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 44 ASN : amide:sc= 0.266 X(o=0.27,f=-0.23) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 0.267 (180deg=-0.257) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0456 F(o=-0.88,f=-0.046) USER MOD Single : A 51 TYR OH : rot -51:sc= -1.65 USER MOD Single : A 59 ASN :FLIP amide:sc= -3.1! C(o=-6.3!,f=-3.1!) USER MOD Single : A 60 MET CE :methyl 125:sc=-0.00699 (180deg=-0.195) USER MOD Single : A 62 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.57!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -48:sc= -0.251 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.205 X(o=-0.2,f=0.042) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 150:sc= -2.26 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 109 LYS NZ :NH3+ -151:sc= 0.353 (180deg=0.0703) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -161:sc=-0.00853 (180deg=-0.0986) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= -0.155 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.756 0.575 7.014 1.00 0.00 N ATOM 2 CA ALA A 2 -13.241 1.271 8.226 1.00 0.00 C ATOM 3 C ALA A 2 -13.011 2.749 7.902 1.00 0.00 C ATOM 4 O ALA A 2 -11.990 3.120 7.363 1.00 0.00 O ATOM 5 CB ALA A 2 -11.920 0.625 8.655 1.00 0.00 C ATOM 0 HA ALA A 2 -13.966 1.188 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.539 1.131 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.087 -0.428 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.193 0.712 7.847 1.00 0.00 H new ATOM 11 N ASP A 3 -13.960 3.593 8.224 1.00 0.00 N ATOM 12 CA ASP A 3 -13.808 5.051 7.933 1.00 0.00 C ATOM 13 C ASP A 3 -14.057 5.298 6.442 1.00 0.00 C ATOM 14 O ASP A 3 -13.526 4.618 5.595 1.00 0.00 O ATOM 15 CB ASP A 3 -12.394 5.511 8.301 1.00 0.00 C ATOM 16 CG ASP A 3 -12.447 6.939 8.849 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.062 7.775 8.211 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.869 7.170 9.899 1.00 0.00 O ATOM 0 H ASP A 3 -14.836 3.333 8.677 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.530 5.615 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.964 4.840 9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.747 5.470 7.424 1.00 0.00 H new ATOM 23 N LYS A 4 -14.872 6.259 6.113 1.00 0.00 N ATOM 24 CA LYS A 4 -15.150 6.538 4.675 1.00 0.00 C ATOM 25 C LYS A 4 -14.156 7.564 4.136 1.00 0.00 C ATOM 26 O LYS A 4 -14.396 8.190 3.123 1.00 0.00 O ATOM 27 CB LYS A 4 -16.572 7.077 4.522 1.00 0.00 C ATOM 28 CG LYS A 4 -17.410 6.095 3.700 1.00 0.00 C ATOM 29 CD LYS A 4 -17.493 4.751 4.429 1.00 0.00 C ATOM 30 CE LYS A 4 -18.950 4.287 4.476 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.726 5.176 5.386 1.00 0.00 N ATOM 0 H LYS A 4 -15.358 6.864 6.775 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.047 5.612 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.024 7.223 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.551 8.051 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.411 6.498 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.965 5.958 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.880 4.009 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.098 4.848 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.382 4.307 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.003 3.256 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.551 4.661 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.122 5.474 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.047 6.015 4.861 1.00 0.00 H new ATOM 45 N GLU A 5 -13.050 7.766 4.797 1.00 0.00 N ATOM 46 CA GLU A 5 -12.086 8.780 4.293 1.00 0.00 C ATOM 47 C GLU A 5 -10.657 8.442 4.723 1.00 0.00 C ATOM 48 O GLU A 5 -9.899 9.316 5.097 1.00 0.00 O ATOM 49 CB GLU A 5 -12.473 10.151 4.856 1.00 0.00 C ATOM 50 CG GLU A 5 -11.566 11.229 4.263 1.00 0.00 C ATOM 51 CD GLU A 5 -10.763 11.895 5.382 1.00 0.00 C ATOM 52 OE1 GLU A 5 -11.364 12.256 6.381 1.00 0.00 O ATOM 53 OE2 GLU A 5 -9.562 12.032 5.222 1.00 0.00 O ATOM 0 H GLU A 5 -12.776 7.281 5.651 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.122 8.789 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.515 10.370 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.385 10.146 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.891 10.788 3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.164 11.974 3.738 1.00 0.00 H new ATOM 60 N LEU A 6 -10.258 7.199 4.663 1.00 0.00 N ATOM 61 CA LEU A 6 -8.867 6.878 5.058 1.00 0.00 C ATOM 62 C LEU A 6 -7.956 7.180 3.863 1.00 0.00 C ATOM 63 O LEU A 6 -8.122 6.629 2.798 1.00 0.00 O ATOM 64 CB LEU A 6 -8.771 5.401 5.473 1.00 0.00 C ATOM 65 CG LEU A 6 -7.360 5.058 5.983 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.943 6.019 7.098 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.357 3.640 6.545 1.00 0.00 C ATOM 0 H LEU A 6 -10.828 6.408 4.362 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.556 7.480 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.504 5.191 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.018 4.765 4.623 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.662 5.143 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.943 5.761 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.942 7.040 6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.647 5.942 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.359 3.394 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.068 3.573 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.642 2.938 5.762 1.00 0.00 H new ATOM 79 N LYS A 7 -7.029 8.088 4.018 1.00 0.00 N ATOM 80 CA LYS A 7 -6.143 8.468 2.871 1.00 0.00 C ATOM 81 C LYS A 7 -5.273 7.292 2.411 1.00 0.00 C ATOM 82 O LYS A 7 -4.504 6.730 3.174 1.00 0.00 O ATOM 83 CB LYS A 7 -5.237 9.624 3.295 1.00 0.00 C ATOM 84 CG LYS A 7 -5.848 10.950 2.835 1.00 0.00 C ATOM 85 CD LYS A 7 -4.958 12.107 3.291 1.00 0.00 C ATOM 86 CE LYS A 7 -5.471 13.415 2.688 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.465 14.493 2.910 1.00 0.00 N ATOM 0 H LYS A 7 -6.845 8.585 4.889 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.781 8.764 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.114 9.625 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.245 9.499 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.948 10.960 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.850 11.064 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.957 12.172 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.928 11.931 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.655 13.289 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.422 13.690 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.712 15.322 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.459 14.760 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.522 14.149 2.637 1.00 0.00 H new ATOM 101 N PHE A 8 -5.377 6.943 1.147 1.00 0.00 N ATOM 102 CA PHE A 8 -4.560 5.835 0.586 1.00 0.00 C ATOM 103 C PHE A 8 -3.611 6.392 -0.471 1.00 0.00 C ATOM 104 O PHE A 8 -3.976 7.269 -1.226 1.00 0.00 O ATOM 105 CB PHE A 8 -5.466 4.833 -0.137 1.00 0.00 C ATOM 106 CG PHE A 8 -6.346 4.089 0.828 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.577 4.630 1.187 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.940 2.855 1.352 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.409 3.947 2.073 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.775 2.168 2.243 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.009 2.715 2.605 1.00 0.00 C ATOM 0 H PHE A 8 -6.004 7.390 0.478 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.020 5.360 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.085 5.359 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.854 4.124 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.888 5.580 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.986 2.434 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.364 4.369 2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.465 1.217 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.653 2.188 3.294 1.00 0.00 H new ATOM 121 N LEU A 9 -2.424 5.854 -0.568 1.00 0.00 N ATOM 122 CA LEU A 9 -1.485 6.318 -1.634 1.00 0.00 C ATOM 123 C LEU A 9 -1.157 5.133 -2.541 1.00 0.00 C ATOM 124 O LEU A 9 -0.481 4.207 -2.139 1.00 0.00 O ATOM 125 CB LEU A 9 -0.178 6.850 -1.041 1.00 0.00 C ATOM 126 CG LEU A 9 0.672 7.457 -2.176 1.00 0.00 C ATOM 127 CD1 LEU A 9 -0.002 8.714 -2.730 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.060 7.828 -1.656 1.00 0.00 C ATOM 0 H LEU A 9 -2.065 5.118 0.040 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.966 7.124 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.387 7.604 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.368 6.045 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 9 0.764 6.713 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.609 9.132 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.986 8.457 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.109 9.450 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.650 8.255 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.964 8.559 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.557 6.935 -1.277 1.00 0.00 H new ATOM 140 N VAL A 10 -1.611 5.158 -3.766 1.00 0.00 N ATOM 141 CA VAL A 10 -1.301 4.038 -4.694 1.00 0.00 C ATOM 142 C VAL A 10 -0.074 4.419 -5.527 1.00 0.00 C ATOM 143 O VAL A 10 -0.166 5.175 -6.476 1.00 0.00 O ATOM 144 CB VAL A 10 -2.499 3.776 -5.612 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.483 2.836 -4.913 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.206 5.094 -5.937 1.00 0.00 C ATOM 0 H VAL A 10 -2.182 5.905 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.094 3.130 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.145 3.319 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.335 2.650 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.986 1.892 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.829 3.295 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.057 4.899 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.556 5.557 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.510 5.766 -6.439 1.00 0.00 H new ATOM 156 N VAL A 11 1.078 3.913 -5.168 1.00 0.00 N ATOM 157 CA VAL A 11 2.309 4.252 -5.924 1.00 0.00 C ATOM 158 C VAL A 11 2.579 3.175 -6.976 1.00 0.00 C ATOM 159 O VAL A 11 3.116 2.126 -6.682 1.00 0.00 O ATOM 160 CB VAL A 11 3.498 4.349 -4.960 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.761 4.743 -5.732 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.206 5.414 -3.901 1.00 0.00 C ATOM 0 H VAL A 11 1.214 3.279 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 11 2.174 5.212 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 11 3.652 3.382 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.603 4.811 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.973 3.990 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.607 5.709 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.049 5.485 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.051 6.377 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.309 5.139 -3.346 1.00 0.00 H new ATOM 172 N ASP A 12 2.205 3.427 -8.201 1.00 0.00 N ATOM 173 CA ASP A 12 2.434 2.420 -9.276 1.00 0.00 C ATOM 174 C ASP A 12 2.461 3.124 -10.634 1.00 0.00 C ATOM 175 O ASP A 12 1.722 4.059 -10.873 1.00 0.00 O ATOM 176 CB ASP A 12 1.302 1.390 -9.257 1.00 0.00 C ATOM 177 CG ASP A 12 1.856 0.012 -9.623 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.579 -0.073 -10.602 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.549 -0.935 -8.919 1.00 0.00 O ATOM 0 H ASP A 12 1.750 4.288 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 12 3.386 1.917 -9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.843 1.358 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.522 1.679 -9.962 1.00 0.00 H new ATOM 184 N ASP A 13 3.306 2.683 -11.526 1.00 0.00 N ATOM 185 CA ASP A 13 3.380 3.330 -12.868 1.00 0.00 C ATOM 186 C ASP A 13 2.485 2.573 -13.851 1.00 0.00 C ATOM 187 O ASP A 13 2.897 1.605 -14.461 1.00 0.00 O ATOM 188 CB ASP A 13 4.827 3.301 -13.368 1.00 0.00 C ATOM 189 CG ASP A 13 5.577 4.520 -12.829 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.090 5.623 -13.019 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.625 4.331 -12.234 1.00 0.00 O ATOM 0 H ASP A 13 3.948 1.903 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 13 3.042 4.363 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.318 2.385 -13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.847 3.301 -14.458 1.00 0.00 H new ATOM 196 N PHE A 14 1.265 3.006 -14.012 1.00 0.00 N ATOM 197 CA PHE A 14 0.345 2.312 -14.957 1.00 0.00 C ATOM 198 C PHE A 14 -0.826 3.236 -15.297 1.00 0.00 C ATOM 199 O PHE A 14 -1.234 4.056 -14.499 1.00 0.00 O ATOM 200 CB PHE A 14 -0.185 1.031 -14.309 1.00 0.00 C ATOM 201 CG PHE A 14 -0.136 -0.097 -15.312 1.00 0.00 C ATOM 202 CD1 PHE A 14 -1.234 -0.339 -16.146 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.005 -0.902 -15.406 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.190 -1.384 -17.076 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.050 -1.947 -16.335 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.047 -2.189 -17.170 1.00 0.00 C ATOM 0 H PHE A 14 0.865 3.811 -13.530 1.00 0.00 H new ATOM 0 HA PHE A 14 0.885 2.058 -15.869 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.413 0.779 -13.433 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.208 1.181 -13.964 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.115 0.281 -16.072 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.851 -0.716 -14.761 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.036 -1.570 -17.721 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.931 -2.567 -16.408 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.012 -2.996 -17.887 1.00 0.00 H new ATOM 216 N SER A 15 -1.369 3.111 -16.478 1.00 0.00 N ATOM 217 CA SER A 15 -2.511 3.984 -16.872 1.00 0.00 C ATOM 218 C SER A 15 -3.831 3.269 -16.573 1.00 0.00 C ATOM 219 O SER A 15 -4.873 3.638 -17.079 1.00 0.00 O ATOM 220 CB SER A 15 -2.427 4.290 -18.368 1.00 0.00 C ATOM 221 OG SER A 15 -2.876 5.618 -18.601 1.00 0.00 O ATOM 0 H SER A 15 -1.071 2.441 -17.187 1.00 0.00 H new ATOM 0 HA SER A 15 -2.466 4.915 -16.306 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.401 4.174 -18.718 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.037 3.583 -18.930 1.00 0.00 H new ATOM 0 HG SER A 15 -2.822 5.818 -19.559 1.00 0.00 H new ATOM 227 N THR A 16 -3.796 2.249 -15.758 1.00 0.00 N ATOM 228 CA THR A 16 -5.050 1.512 -15.429 1.00 0.00 C ATOM 229 C THR A 16 -4.995 1.035 -13.976 1.00 0.00 C ATOM 230 O THR A 16 -6.010 0.775 -13.359 1.00 0.00 O ATOM 231 CB THR A 16 -5.190 0.301 -16.355 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.399 -0.769 -15.856 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.719 0.674 -17.762 1.00 0.00 C ATOM 0 H THR A 16 -2.953 1.894 -15.306 1.00 0.00 H new ATOM 0 HA THR A 16 -5.905 2.174 -15.564 1.00 0.00 H new ATOM 0 HB THR A 16 -6.235 -0.007 -16.395 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.524 -0.762 -16.297 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.819 -0.189 -18.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.327 1.494 -18.144 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.674 0.983 -17.726 1.00 0.00 H new ATOM 241 N MET A 17 -3.819 0.918 -13.423 1.00 0.00 N ATOM 242 CA MET A 17 -3.703 0.458 -12.011 1.00 0.00 C ATOM 243 C MET A 17 -4.430 1.441 -11.093 1.00 0.00 C ATOM 244 O MET A 17 -5.421 1.109 -10.474 1.00 0.00 O ATOM 245 CB MET A 17 -2.227 0.387 -11.615 1.00 0.00 C ATOM 246 CG MET A 17 -2.109 -0.069 -10.160 1.00 0.00 C ATOM 247 SD MET A 17 -0.934 -1.440 -10.050 1.00 0.00 S ATOM 248 CE MET A 17 -1.319 -1.933 -8.352 1.00 0.00 C ATOM 0 H MET A 17 -2.934 1.121 -13.888 1.00 0.00 H new ATOM 0 HA MET A 17 -4.152 -0.530 -11.914 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.697 -0.306 -12.268 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.759 1.363 -11.740 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.777 0.759 -9.534 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.084 -0.381 -9.785 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.525 -2.575 -7.971 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.401 -1.045 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.264 -2.476 -8.336 1.00 0.00 H new ATOM 258 N ARG A 18 -3.945 2.650 -10.999 1.00 0.00 N ATOM 259 CA ARG A 18 -4.612 3.652 -10.120 1.00 0.00 C ATOM 260 C ARG A 18 -6.104 3.640 -10.386 1.00 0.00 C ATOM 261 O ARG A 18 -6.906 3.889 -9.508 1.00 0.00 O ATOM 262 CB ARG A 18 -4.045 5.051 -10.413 1.00 0.00 C ATOM 263 CG ARG A 18 -5.063 5.949 -11.140 1.00 0.00 C ATOM 264 CD ARG A 18 -4.384 7.268 -11.515 1.00 0.00 C ATOM 265 NE ARG A 18 -4.039 8.020 -10.276 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.979 8.369 -9.442 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.956 9.135 -9.843 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.942 7.952 -8.206 1.00 0.00 N ATOM 0 H ARG A 18 -3.118 2.986 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.428 3.401 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.748 5.524 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.146 4.957 -11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.435 5.449 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.924 6.138 -10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.483 7.073 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.046 7.865 -12.143 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.068 8.262 -10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.985 9.461 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.691 9.408 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.178 7.353 -7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.677 8.225 -7.554 1.00 0.00 H new ATOM 282 N ARG A 19 -6.485 3.395 -11.601 1.00 0.00 N ATOM 283 CA ARG A 19 -7.924 3.418 -11.917 1.00 0.00 C ATOM 284 C ARG A 19 -8.610 2.186 -11.323 1.00 0.00 C ATOM 285 O ARG A 19 -9.719 2.257 -10.833 1.00 0.00 O ATOM 286 CB ARG A 19 -8.123 3.444 -13.433 1.00 0.00 C ATOM 287 CG ARG A 19 -8.652 4.817 -13.853 1.00 0.00 C ATOM 288 CD ARG A 19 -8.794 4.871 -15.374 1.00 0.00 C ATOM 289 NE ARG A 19 -7.920 5.950 -15.916 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.301 6.637 -16.960 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.369 6.061 -18.129 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.611 7.898 -16.833 1.00 0.00 N ATOM 0 H ARG A 19 -5.864 3.182 -12.382 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.368 4.314 -11.484 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.180 3.235 -13.938 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.824 2.665 -13.732 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.616 5.006 -13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.972 5.599 -13.514 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.518 3.911 -15.810 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.833 5.058 -15.647 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.024 6.152 -15.472 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.125 5.076 -18.227 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.666 6.596 -18.945 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.556 8.347 -15.919 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.908 8.435 -17.648 1.00 0.00 H new ATOM 306 N ILE A 20 -7.959 1.058 -11.366 1.00 0.00 N ATOM 307 CA ILE A 20 -8.571 -0.182 -10.809 1.00 0.00 C ATOM 308 C ILE A 20 -8.761 -0.029 -9.298 1.00 0.00 C ATOM 309 O ILE A 20 -9.850 -0.180 -8.781 1.00 0.00 O ATOM 310 CB ILE A 20 -7.647 -1.371 -11.094 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.969 -1.940 -12.477 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.852 -2.459 -10.036 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.863 -2.909 -12.901 1.00 0.00 C ATOM 0 H ILE A 20 -7.027 0.940 -11.764 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.541 -0.352 -11.276 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.610 -1.035 -11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.929 -2.455 -12.455 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.057 -1.132 -13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.191 -3.300 -10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.623 -2.055 -9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.888 -2.797 -10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.093 -3.314 -13.886 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.911 -2.380 -12.939 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.797 -3.724 -12.180 1.00 0.00 H new ATOM 325 N VAL A 21 -7.708 0.259 -8.586 1.00 0.00 N ATOM 326 CA VAL A 21 -7.827 0.409 -7.107 1.00 0.00 C ATOM 327 C VAL A 21 -8.763 1.574 -6.772 1.00 0.00 C ATOM 328 O VAL A 21 -9.446 1.561 -5.768 1.00 0.00 O ATOM 329 CB VAL A 21 -6.446 0.669 -6.503 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.974 -0.582 -5.760 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.452 1.001 -7.618 1.00 0.00 C ATOM 0 H VAL A 21 -6.770 0.397 -8.963 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.238 -0.510 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.506 1.508 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.990 -0.399 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.680 -0.821 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.915 -1.418 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.469 1.186 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.391 0.163 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.787 1.891 -8.151 1.00 0.00 H new ATOM 341 N ARG A 22 -8.805 2.580 -7.604 1.00 0.00 N ATOM 342 CA ARG A 22 -9.702 3.739 -7.328 1.00 0.00 C ATOM 343 C ARG A 22 -11.119 3.229 -7.056 1.00 0.00 C ATOM 344 O ARG A 22 -11.717 3.526 -6.041 1.00 0.00 O ATOM 345 CB ARG A 22 -9.733 4.655 -8.553 1.00 0.00 C ATOM 346 CG ARG A 22 -8.896 5.915 -8.304 1.00 0.00 C ATOM 347 CD ARG A 22 -9.724 6.937 -7.522 1.00 0.00 C ATOM 348 NE ARG A 22 -8.915 8.168 -7.302 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.503 9.331 -7.221 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.249 9.755 -8.205 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.346 10.068 -6.157 1.00 0.00 N ATOM 0 H ARG A 22 -8.258 2.649 -8.462 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.332 4.288 -6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.348 4.122 -9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.762 4.934 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.994 5.660 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.574 6.343 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.634 7.180 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.032 6.516 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.901 8.102 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.372 9.178 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.708 10.663 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.764 9.736 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.805 10.977 -6.094 1.00 0.00 H new ATOM 365 N ASN A 23 -11.653 2.460 -7.960 1.00 0.00 N ATOM 366 CA ASN A 23 -13.015 1.917 -7.787 1.00 0.00 C ATOM 367 C ASN A 23 -13.025 0.959 -6.610 1.00 0.00 C ATOM 368 O ASN A 23 -13.776 1.112 -5.673 1.00 0.00 O ATOM 369 CB ASN A 23 -13.350 1.139 -9.042 1.00 0.00 C ATOM 370 CG ASN A 23 -14.770 1.472 -9.501 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.987 2.460 -10.175 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.754 0.686 -9.162 1.00 0.00 N ATOM 0 H ASN A 23 -11.190 2.183 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.732 2.719 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.638 1.381 -9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.262 0.069 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.705 0.901 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.573 -0.143 -8.596 1.00 0.00 H new ATOM 379 N LEU A 24 -12.190 -0.036 -6.684 1.00 0.00 N ATOM 380 CA LEU A 24 -12.101 -1.059 -5.604 1.00 0.00 C ATOM 381 C LEU A 24 -12.273 -0.391 -4.234 1.00 0.00 C ATOM 382 O LEU A 24 -13.180 -0.707 -3.489 1.00 0.00 O ATOM 383 CB LEU A 24 -10.722 -1.711 -5.687 1.00 0.00 C ATOM 384 CG LEU A 24 -10.681 -3.032 -4.892 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.268 -4.169 -5.826 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.664 -2.949 -3.746 1.00 0.00 C ATOM 0 H LEU A 24 -11.551 -0.188 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.886 -1.805 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.470 -1.903 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.969 -1.026 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.672 -3.214 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.238 -5.105 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.990 -4.254 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.281 -3.960 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.653 -3.892 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.672 -2.754 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.943 -2.141 -3.069 1.00 0.00 H new ATOM 398 N LEU A 25 -11.417 0.538 -3.901 1.00 0.00 N ATOM 399 CA LEU A 25 -11.541 1.232 -2.587 1.00 0.00 C ATOM 400 C LEU A 25 -12.953 1.804 -2.457 1.00 0.00 C ATOM 401 O LEU A 25 -13.627 1.604 -1.466 1.00 0.00 O ATOM 402 CB LEU A 25 -10.522 2.373 -2.513 1.00 0.00 C ATOM 403 CG LEU A 25 -9.186 1.843 -1.986 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.048 2.712 -2.521 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.176 1.888 -0.454 1.00 0.00 C ATOM 0 H LEU A 25 -10.637 0.846 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.352 0.526 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.384 2.814 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.893 3.163 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.053 0.814 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.096 2.336 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.047 2.680 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.188 3.740 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.223 1.510 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.312 2.916 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.986 1.270 -0.067 1.00 0.00 H new ATOM 417 N LYS A 26 -13.404 2.518 -3.451 1.00 0.00 N ATOM 418 CA LYS A 26 -14.767 3.106 -3.390 1.00 0.00 C ATOM 419 C LYS A 26 -15.791 1.997 -3.146 1.00 0.00 C ATOM 420 O LYS A 26 -16.744 2.168 -2.411 1.00 0.00 O ATOM 421 CB LYS A 26 -15.077 3.809 -4.715 1.00 0.00 C ATOM 422 CG LYS A 26 -15.698 5.181 -4.437 1.00 0.00 C ATOM 423 CD LYS A 26 -15.984 5.890 -5.763 1.00 0.00 C ATOM 424 CE LYS A 26 -14.826 6.831 -6.104 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.821 7.100 -7.570 1.00 0.00 N ATOM 0 H LYS A 26 -12.884 2.719 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.816 3.828 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.164 3.924 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.761 3.203 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.620 5.066 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.021 5.782 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.115 5.156 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.914 6.453 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.928 7.765 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.879 6.384 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.035 7.739 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.704 6.205 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.721 7.544 -7.845 1.00 0.00 H new ATOM 439 N GLU A 27 -15.604 0.862 -3.759 1.00 0.00 N ATOM 440 CA GLU A 27 -16.559 -0.257 -3.567 1.00 0.00 C ATOM 441 C GLU A 27 -16.695 -0.550 -2.075 1.00 0.00 C ATOM 442 O GLU A 27 -17.781 -0.729 -1.563 1.00 0.00 O ATOM 443 CB GLU A 27 -16.043 -1.501 -4.291 1.00 0.00 C ATOM 444 CG GLU A 27 -17.185 -2.140 -5.083 1.00 0.00 C ATOM 445 CD GLU A 27 -17.525 -1.260 -6.288 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.655 -1.066 -7.120 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.652 -0.796 -6.359 1.00 0.00 O ATOM 0 H GLU A 27 -14.826 0.663 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.532 0.017 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.227 -1.232 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.642 -2.214 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.897 -3.137 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.062 -2.258 -4.446 1.00 0.00 H new ATOM 454 N LEU A 28 -15.599 -0.590 -1.374 1.00 0.00 N ATOM 455 CA LEU A 28 -15.665 -0.859 0.088 1.00 0.00 C ATOM 456 C LEU A 28 -16.295 0.344 0.782 1.00 0.00 C ATOM 457 O LEU A 28 -17.308 0.235 1.445 1.00 0.00 O ATOM 458 CB LEU A 28 -14.252 -1.083 0.633 1.00 0.00 C ATOM 459 CG LEU A 28 -13.977 -2.583 0.751 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.471 -2.820 0.882 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.686 -3.142 1.988 1.00 0.00 C ATOM 0 H LEU A 28 -14.661 -0.448 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.265 -1.750 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.519 -0.620 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.148 -0.607 1.608 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.350 -3.086 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.277 -3.889 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.963 -2.427 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.099 -2.313 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.488 -4.211 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.316 -2.636 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.760 -2.978 1.897 1.00 0.00 H new ATOM 473 N GLY A 29 -15.702 1.495 0.632 1.00 0.00 N ATOM 474 CA GLY A 29 -16.257 2.707 1.274 1.00 0.00 C ATOM 475 C GLY A 29 -15.129 3.684 1.607 1.00 0.00 C ATOM 476 O GLY A 29 -14.744 3.827 2.746 1.00 0.00 O ATOM 0 H GLY A 29 -14.852 1.644 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.978 3.183 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.793 2.434 2.183 1.00 0.00 H new ATOM 480 N PHE A 30 -14.595 4.356 0.623 1.00 0.00 N ATOM 481 CA PHE A 30 -13.498 5.333 0.889 1.00 0.00 C ATOM 482 C PHE A 30 -13.562 6.453 -0.159 1.00 0.00 C ATOM 483 O PHE A 30 -14.026 6.247 -1.262 1.00 0.00 O ATOM 484 CB PHE A 30 -12.141 4.632 0.786 1.00 0.00 C ATOM 485 CG PHE A 30 -11.886 3.788 2.013 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.712 4.398 3.257 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.805 2.395 1.898 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.453 3.615 4.388 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.547 1.613 3.029 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.370 2.224 4.274 1.00 0.00 C ATOM 0 H PHE A 30 -14.871 4.271 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.617 5.746 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.116 4.005 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.350 5.373 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.777 5.472 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.942 1.924 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.317 4.086 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.485 0.538 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.169 1.622 5.148 1.00 0.00 H new ATOM 500 N ASN A 31 -13.105 7.636 0.169 1.00 0.00 N ATOM 501 CA ASN A 31 -13.149 8.746 -0.814 1.00 0.00 C ATOM 502 C ASN A 31 -11.938 9.675 -0.616 1.00 0.00 C ATOM 503 O ASN A 31 -12.082 10.842 -0.308 1.00 0.00 O ATOM 504 CB ASN A 31 -14.441 9.523 -0.594 1.00 0.00 C ATOM 505 CG ASN A 31 -14.835 9.456 0.882 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.837 8.702 1.243 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -14.224 10.096 1.715 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.705 7.875 1.076 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.115 8.350 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.309 10.561 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.237 9.108 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.441 10.685 1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.494 10.044 2.697 1.00 0.00 H new ATOM 514 N ASN A 32 -10.741 9.170 -0.795 1.00 0.00 N ATOM 515 CA ASN A 32 -9.531 10.036 -0.620 1.00 0.00 C ATOM 516 C ASN A 32 -8.269 9.237 -0.971 1.00 0.00 C ATOM 517 O ASN A 32 -7.755 8.483 -0.168 1.00 0.00 O ATOM 518 CB ASN A 32 -9.439 10.521 0.833 1.00 0.00 C ATOM 519 CG ASN A 32 -8.944 11.969 0.855 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.897 12.274 0.319 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.658 12.880 1.458 1.00 0.00 N ATOM 0 H ASN A 32 -10.549 8.202 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.613 10.898 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.415 10.451 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.759 9.884 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.337 13.848 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.537 12.624 1.908 1.00 0.00 H new ATOM 528 N VAL A 33 -7.765 9.389 -2.167 1.00 0.00 N ATOM 529 CA VAL A 33 -6.540 8.631 -2.555 1.00 0.00 C ATOM 530 C VAL A 33 -5.729 9.428 -3.583 1.00 0.00 C ATOM 531 O VAL A 33 -6.279 10.169 -4.373 1.00 0.00 O ATOM 532 CB VAL A 33 -6.954 7.292 -3.164 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.091 7.520 -4.158 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.761 6.665 -3.889 1.00 0.00 C ATOM 0 H VAL A 33 -8.146 10.002 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.925 8.465 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.288 6.621 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.389 6.567 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.942 7.965 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.755 8.192 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.059 5.710 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.424 7.334 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.948 6.504 -3.181 1.00 0.00 H new ATOM 544 N GLU A 34 -4.426 9.262 -3.590 1.00 0.00 N ATOM 545 CA GLU A 34 -3.571 9.983 -4.580 1.00 0.00 C ATOM 546 C GLU A 34 -2.716 8.953 -5.310 1.00 0.00 C ATOM 547 O GLU A 34 -2.974 7.768 -5.239 1.00 0.00 O ATOM 548 CB GLU A 34 -2.671 10.986 -3.859 1.00 0.00 C ATOM 549 CG GLU A 34 -3.534 12.000 -3.106 1.00 0.00 C ATOM 550 CD GLU A 34 -2.765 13.316 -2.961 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.470 13.920 -3.979 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.484 13.694 -1.836 1.00 0.00 O ATOM 0 H GLU A 34 -3.918 8.654 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.195 10.526 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.013 10.465 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.032 11.499 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.467 12.169 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.798 11.610 -2.123 1.00 0.00 H new ATOM 559 N GLU A 35 -1.712 9.381 -6.018 1.00 0.00 N ATOM 560 CA GLU A 35 -0.866 8.399 -6.757 1.00 0.00 C ATOM 561 C GLU A 35 0.579 8.895 -6.852 1.00 0.00 C ATOM 562 O GLU A 35 0.843 10.079 -6.905 1.00 0.00 O ATOM 563 CB GLU A 35 -1.430 8.211 -8.165 1.00 0.00 C ATOM 564 CG GLU A 35 -0.880 6.918 -8.771 1.00 0.00 C ATOM 565 CD GLU A 35 -0.658 7.112 -10.272 1.00 0.00 C ATOM 566 OE1 GLU A 35 0.115 7.986 -10.629 1.00 0.00 O ATOM 567 OE2 GLU A 35 -1.266 6.384 -11.040 1.00 0.00 O ATOM 0 H GLU A 35 -1.439 10.359 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.875 7.451 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.519 8.173 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.161 9.061 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.058 6.647 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.577 6.098 -8.599 1.00 0.00 H new ATOM 574 N ALA A 36 1.510 7.981 -6.883 1.00 0.00 N ATOM 575 CA ALA A 36 2.946 8.364 -6.988 1.00 0.00 C ATOM 576 C ALA A 36 3.652 7.368 -7.910 1.00 0.00 C ATOM 577 O ALA A 36 3.010 6.584 -8.581 1.00 0.00 O ATOM 578 CB ALA A 36 3.586 8.342 -5.600 1.00 0.00 C ATOM 0 H ALA A 36 1.335 6.977 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 36 3.037 9.370 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.636 8.622 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.070 9.049 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.509 7.339 -5.180 1.00 0.00 H new ATOM 584 N GLU A 37 4.957 7.397 -7.969 1.00 0.00 N ATOM 585 CA GLU A 37 5.676 6.451 -8.874 1.00 0.00 C ATOM 586 C GLU A 37 6.995 5.981 -8.251 1.00 0.00 C ATOM 587 O GLU A 37 7.747 5.254 -8.870 1.00 0.00 O ATOM 588 CB GLU A 37 5.970 7.156 -10.199 1.00 0.00 C ATOM 589 CG GLU A 37 6.106 8.660 -9.962 1.00 0.00 C ATOM 590 CD GLU A 37 6.633 9.330 -11.233 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.652 8.673 -12.260 1.00 0.00 O ATOM 592 OE2 GLU A 37 7.009 10.488 -11.156 1.00 0.00 O ATOM 0 H GLU A 37 5.553 8.029 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 37 5.043 5.579 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.888 6.762 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.169 6.961 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.140 9.085 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.785 8.848 -9.130 1.00 0.00 H new ATOM 599 N ASP A 38 7.297 6.373 -7.041 1.00 0.00 N ATOM 600 CA ASP A 38 8.579 5.919 -6.423 1.00 0.00 C ATOM 601 C ASP A 38 8.672 6.435 -4.988 1.00 0.00 C ATOM 602 O ASP A 38 8.030 7.395 -4.623 1.00 0.00 O ATOM 603 CB ASP A 38 9.765 6.458 -7.231 1.00 0.00 C ATOM 604 CG ASP A 38 10.495 7.522 -6.413 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.023 8.647 -6.387 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.512 7.194 -5.825 1.00 0.00 O ATOM 0 H ASP A 38 6.720 6.980 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 38 8.605 4.829 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.447 5.646 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.415 6.883 -8.172 1.00 0.00 H new ATOM 611 N GLY A 39 9.466 5.800 -4.168 1.00 0.00 N ATOM 612 CA GLY A 39 9.597 6.252 -2.752 1.00 0.00 C ATOM 613 C GLY A 39 9.847 7.755 -2.707 1.00 0.00 C ATOM 614 O GLY A 39 9.148 8.482 -2.032 1.00 0.00 O ATOM 0 H GLY A 39 10.030 4.987 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.690 6.009 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.418 5.724 -2.267 1.00 0.00 H new ATOM 618 N VAL A 40 10.826 8.239 -3.417 1.00 0.00 N ATOM 619 CA VAL A 40 11.077 9.703 -3.395 1.00 0.00 C ATOM 620 C VAL A 40 9.757 10.416 -3.680 1.00 0.00 C ATOM 621 O VAL A 40 9.504 11.502 -3.196 1.00 0.00 O ATOM 622 CB VAL A 40 12.108 10.073 -4.464 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.931 11.540 -4.856 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.519 9.862 -3.909 1.00 0.00 C ATOM 0 H VAL A 40 11.455 7.692 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 40 11.466 10.002 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 40 11.964 9.441 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.665 11.804 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.927 11.692 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.075 12.171 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.253 10.126 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.663 10.493 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.647 8.817 -3.628 1.00 0.00 H new ATOM 634 N ASP A 41 8.907 9.797 -4.456 1.00 0.00 N ATOM 635 CA ASP A 41 7.595 10.415 -4.778 1.00 0.00 C ATOM 636 C ASP A 41 6.635 10.211 -3.607 1.00 0.00 C ATOM 637 O ASP A 41 5.955 11.125 -3.185 1.00 0.00 O ATOM 638 CB ASP A 41 7.027 9.743 -6.024 1.00 0.00 C ATOM 639 CG ASP A 41 6.021 10.679 -6.698 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.637 11.653 -6.073 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.649 10.404 -7.827 1.00 0.00 O ATOM 0 H ASP A 41 9.070 8.884 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 41 7.722 11.483 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.832 9.498 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.542 8.805 -5.755 1.00 0.00 H new ATOM 646 N ALA A 42 6.571 9.020 -3.077 1.00 0.00 N ATOM 647 CA ALA A 42 5.653 8.769 -1.933 1.00 0.00 C ATOM 648 C ALA A 42 6.109 9.596 -0.731 1.00 0.00 C ATOM 649 O ALA A 42 5.363 10.385 -0.190 1.00 0.00 O ATOM 650 CB ALA A 42 5.679 7.280 -1.575 1.00 0.00 C ATOM 0 H ALA A 42 7.113 8.213 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 42 4.637 9.055 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.007 7.095 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.356 6.693 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.692 6.990 -1.298 1.00 0.00 H new ATOM 656 N LEU A 43 7.332 9.423 -0.313 1.00 0.00 N ATOM 657 CA LEU A 43 7.842 10.196 0.854 1.00 0.00 C ATOM 658 C LEU A 43 7.515 11.682 0.677 1.00 0.00 C ATOM 659 O LEU A 43 6.941 12.305 1.547 1.00 0.00 O ATOM 660 CB LEU A 43 9.358 10.017 0.958 1.00 0.00 C ATOM 661 CG LEU A 43 9.670 8.632 1.528 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.001 8.135 0.962 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.767 8.718 3.053 1.00 0.00 C ATOM 0 H LEU A 43 8.002 8.778 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 43 7.366 9.830 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.816 10.129 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.783 10.790 1.598 1.00 0.00 H new ATOM 0 HG LEU A 43 8.875 7.939 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.223 7.148 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.934 8.074 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.795 8.828 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.989 7.731 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.562 9.411 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.819 9.072 3.458 1.00 0.00 H new ATOM 675 N ASN A 44 7.881 12.260 -0.436 1.00 0.00 N ATOM 676 CA ASN A 44 7.592 13.709 -0.646 1.00 0.00 C ATOM 677 C ASN A 44 6.087 13.924 -0.813 1.00 0.00 C ATOM 678 O ASN A 44 5.547 14.940 -0.420 1.00 0.00 O ATOM 679 CB ASN A 44 8.309 14.196 -1.906 1.00 0.00 C ATOM 680 CG ASN A 44 9.761 14.539 -1.570 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.022 15.312 -0.671 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.724 13.991 -2.261 1.00 0.00 N ATOM 0 H ASN A 44 8.365 11.795 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 44 7.944 14.269 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.276 13.426 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.802 15.072 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.696 14.212 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.504 13.342 -3.016 1.00 0.00 H new ATOM 689 N LYS A 45 5.408 12.982 -1.404 1.00 0.00 N ATOM 690 CA LYS A 45 3.940 13.139 -1.612 1.00 0.00 C ATOM 691 C LYS A 45 3.180 12.742 -0.344 1.00 0.00 C ATOM 692 O LYS A 45 1.994 12.979 -0.231 1.00 0.00 O ATOM 693 CB LYS A 45 3.493 12.247 -2.773 1.00 0.00 C ATOM 694 CG LYS A 45 1.999 12.461 -3.046 1.00 0.00 C ATOM 695 CD LYS A 45 1.772 12.634 -4.552 1.00 0.00 C ATOM 696 CE LYS A 45 2.395 13.950 -5.029 1.00 0.00 C ATOM 697 NZ LYS A 45 3.527 13.656 -5.953 1.00 0.00 N ATOM 0 H LYS A 45 5.805 12.109 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 45 3.724 14.182 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.072 12.480 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.682 11.201 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.426 11.610 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.643 13.341 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.213 11.797 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.704 12.628 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.645 14.557 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.749 14.528 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.254 14.394 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.939 12.731 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.179 13.637 -6.933 1.00 0.00 H new ATOM 711 N LEU A 46 3.834 12.145 0.615 1.00 0.00 N ATOM 712 CA LEU A 46 3.101 11.757 1.853 1.00 0.00 C ATOM 713 C LEU A 46 2.983 12.976 2.769 1.00 0.00 C ATOM 714 O LEU A 46 2.106 13.052 3.606 1.00 0.00 O ATOM 715 CB LEU A 46 3.835 10.623 2.586 1.00 0.00 C ATOM 716 CG LEU A 46 2.945 9.373 2.618 1.00 0.00 C ATOM 717 CD1 LEU A 46 2.853 8.763 1.222 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.526 8.341 3.579 1.00 0.00 C ATOM 0 H LEU A 46 4.827 11.912 0.597 1.00 0.00 H new ATOM 0 HA LEU A 46 2.108 11.401 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.776 10.400 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.082 10.932 3.602 1.00 0.00 H new ATOM 0 HG LEU A 46 1.950 9.662 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.220 7.876 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.424 9.491 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.850 8.485 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.887 7.458 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.526 8.060 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.580 8.767 4.581 1.00 0.00 H new ATOM 730 N GLN A 47 3.850 13.937 2.607 1.00 0.00 N ATOM 731 CA GLN A 47 3.772 15.155 3.459 1.00 0.00 C ATOM 732 C GLN A 47 2.451 15.870 3.170 1.00 0.00 C ATOM 733 O GLN A 47 2.095 16.832 3.822 1.00 0.00 O ATOM 734 CB GLN A 47 4.940 16.087 3.127 1.00 0.00 C ATOM 735 CG GLN A 47 5.160 17.066 4.281 1.00 0.00 C ATOM 736 CD GLN A 47 6.180 18.128 3.865 1.00 0.00 C ATOM 737 OE1 GLN A 47 6.147 18.608 2.651 1.00 0.00 O flip ATOM 738 NE2 GLN A 47 7.017 18.524 4.650 1.00 0.00 N flip ATOM 0 H GLN A 47 4.607 13.931 1.923 1.00 0.00 H new ATOM 0 HA GLN A 47 3.824 14.877 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.845 15.505 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.732 16.634 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.217 17.540 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.515 16.532 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.044 18.150 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.693 19.231 4.361 1.00 0.00 H new ATOM 747 N ALA A 48 1.727 15.403 2.189 1.00 0.00 N ATOM 748 CA ALA A 48 0.431 16.044 1.838 1.00 0.00 C ATOM 749 C ALA A 48 -0.371 16.327 3.112 1.00 0.00 C ATOM 750 O ALA A 48 -0.555 17.466 3.493 1.00 0.00 O ATOM 751 CB ALA A 48 -0.367 15.111 0.925 1.00 0.00 C ATOM 0 H ALA A 48 1.981 14.600 1.613 1.00 0.00 H new ATOM 0 HA ALA A 48 0.622 16.984 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.317 15.579 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.202 14.918 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.555 14.170 1.441 1.00 0.00 H new ATOM 757 N GLY A 49 -0.853 15.307 3.773 1.00 0.00 N ATOM 758 CA GLY A 49 -1.641 15.547 5.016 1.00 0.00 C ATOM 759 C GLY A 49 -1.453 14.383 5.990 1.00 0.00 C ATOM 760 O GLY A 49 -2.145 14.276 6.983 1.00 0.00 O ATOM 0 H GLY A 49 -0.737 14.329 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.322 16.478 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.697 15.659 4.771 1.00 0.00 H new ATOM 764 N GLY A 50 -0.528 13.505 5.717 1.00 0.00 N ATOM 765 CA GLY A 50 -0.312 12.350 6.631 1.00 0.00 C ATOM 766 C GLY A 50 -1.217 11.203 6.192 1.00 0.00 C ATOM 767 O GLY A 50 -2.318 11.042 6.680 1.00 0.00 O ATOM 0 H GLY A 50 0.086 13.537 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.732 12.038 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.535 12.635 7.659 1.00 0.00 H new ATOM 771 N TYR A 51 -0.766 10.415 5.260 1.00 0.00 N ATOM 772 CA TYR A 51 -1.600 9.290 4.768 1.00 0.00 C ATOM 773 C TYR A 51 -1.832 8.274 5.877 1.00 0.00 C ATOM 774 O TYR A 51 -0.936 7.936 6.623 1.00 0.00 O ATOM 775 CB TYR A 51 -0.883 8.596 3.619 1.00 0.00 C ATOM 776 CG TYR A 51 -1.079 9.388 2.353 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.461 10.634 2.205 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.876 8.874 1.326 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.643 11.367 1.029 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.057 9.607 0.149 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.439 10.856 0.001 1.00 0.00 C ATOM 782 OH TYR A 51 -1.616 11.582 -1.158 1.00 0.00 O ATOM 0 H TYR A 51 0.148 10.503 4.817 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.559 9.688 4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.180 8.504 3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.271 7.585 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.156 11.029 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.352 7.911 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.168 12.330 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.672 9.211 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.899 12.493 -0.933 1.00 0.00 H new ATOM 792 N GLY A 52 -3.026 7.764 5.962 1.00 0.00 N ATOM 793 CA GLY A 52 -3.325 6.739 6.993 1.00 0.00 C ATOM 794 C GLY A 52 -3.210 5.366 6.343 1.00 0.00 C ATOM 795 O GLY A 52 -3.482 4.353 6.954 1.00 0.00 O ATOM 0 H GLY A 52 -3.810 8.014 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.629 6.824 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.327 6.886 7.397 1.00 0.00 H new ATOM 799 N PHE A 53 -2.829 5.329 5.093 1.00 0.00 N ATOM 800 CA PHE A 53 -2.710 4.027 4.391 1.00 0.00 C ATOM 801 C PHE A 53 -1.926 4.226 3.090 1.00 0.00 C ATOM 802 O PHE A 53 -2.003 5.262 2.458 1.00 0.00 O ATOM 803 CB PHE A 53 -4.116 3.541 4.084 1.00 0.00 C ATOM 804 CG PHE A 53 -4.179 2.037 4.061 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.595 1.327 3.013 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.861 1.357 5.070 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.687 -0.063 2.978 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.960 -0.029 5.035 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.373 -0.745 3.987 1.00 0.00 C ATOM 0 H PHE A 53 -2.596 6.148 4.531 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.185 3.296 5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.808 3.925 4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.438 3.936 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.072 1.854 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.313 1.909 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.228 -0.614 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.490 -0.553 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.449 -1.822 3.957 1.00 0.00 H new ATOM 819 N VAL A 54 -1.167 3.251 2.681 1.00 0.00 N ATOM 820 CA VAL A 54 -0.387 3.407 1.422 1.00 0.00 C ATOM 821 C VAL A 54 -0.231 2.050 0.740 1.00 0.00 C ATOM 822 O VAL A 54 0.272 1.103 1.317 1.00 0.00 O ATOM 823 CB VAL A 54 0.992 3.984 1.746 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.848 4.041 0.477 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.839 5.395 2.317 1.00 0.00 C ATOM 0 H VAL A 54 -1.052 2.358 3.160 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.915 4.085 0.751 1.00 0.00 H new ATOM 0 HB VAL A 54 1.479 3.343 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.828 4.453 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.966 3.036 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.360 4.675 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.823 5.803 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.344 6.032 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.241 5.356 3.227 1.00 0.00 H new ATOM 835 N ILE A 55 -0.655 1.961 -0.491 1.00 0.00 N ATOM 836 CA ILE A 55 -0.536 0.685 -1.248 1.00 0.00 C ATOM 837 C ILE A 55 0.592 0.836 -2.274 1.00 0.00 C ATOM 838 O ILE A 55 0.393 1.319 -3.374 1.00 0.00 O ATOM 839 CB ILE A 55 -1.862 0.389 -1.959 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.908 1.424 -1.530 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.343 -1.013 -1.575 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.255 1.092 -2.174 1.00 0.00 C ATOM 0 H ILE A 55 -1.084 2.728 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.310 -0.140 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.719 0.440 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.004 1.429 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.588 2.423 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.286 -1.225 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.597 -1.749 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.489 -1.065 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.997 1.830 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.154 1.109 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.576 0.100 -1.855 1.00 0.00 H new ATOM 854 N SER A 56 1.780 0.436 -1.914 1.00 0.00 N ATOM 855 CA SER A 56 2.928 0.556 -2.856 1.00 0.00 C ATOM 856 C SER A 56 3.123 -0.778 -3.575 1.00 0.00 C ATOM 857 O SER A 56 2.694 -1.810 -3.098 1.00 0.00 O ATOM 858 CB SER A 56 4.195 0.908 -2.077 1.00 0.00 C ATOM 859 OG SER A 56 4.318 0.036 -0.962 1.00 0.00 O ATOM 0 H SER A 56 2.006 0.030 -1.006 1.00 0.00 H new ATOM 0 HA SER A 56 2.726 1.341 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.069 0.818 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.153 1.944 -1.740 1.00 0.00 H new ATOM 0 HG SER A 56 5.131 0.258 -0.461 1.00 0.00 H new ATOM 865 N ASP A 57 3.760 -0.760 -4.717 1.00 0.00 N ATOM 866 CA ASP A 57 3.982 -2.025 -5.478 1.00 0.00 C ATOM 867 C ASP A 57 5.482 -2.272 -5.647 1.00 0.00 C ATOM 868 O ASP A 57 6.289 -1.376 -5.504 1.00 0.00 O ATOM 869 CB ASP A 57 3.331 -1.908 -6.858 1.00 0.00 C ATOM 870 CG ASP A 57 4.185 -1.007 -7.753 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.190 0.191 -7.521 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.818 -1.530 -8.654 1.00 0.00 O ATOM 0 H ASP A 57 4.137 0.080 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 57 3.539 -2.856 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.230 -2.895 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.326 -1.497 -6.764 1.00 0.00 H new ATOM 877 N TRP A 58 5.860 -3.484 -5.956 1.00 0.00 N ATOM 878 CA TRP A 58 7.306 -3.793 -6.141 1.00 0.00 C ATOM 879 C TRP A 58 7.928 -2.723 -7.047 1.00 0.00 C ATOM 880 O TRP A 58 7.886 -2.817 -8.258 1.00 0.00 O ATOM 881 CB TRP A 58 7.447 -5.178 -6.785 1.00 0.00 C ATOM 882 CG TRP A 58 8.445 -5.998 -6.026 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.562 -6.545 -6.558 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.433 -6.380 -4.618 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.236 -7.238 -5.568 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.581 -7.166 -4.356 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.549 -6.125 -3.553 1.00 0.00 C ATOM 888 CZ2 TRP A 58 9.841 -7.681 -3.084 1.00 0.00 C ATOM 889 CZ3 TRP A 58 7.811 -6.642 -2.273 1.00 0.00 C ATOM 890 CH2 TRP A 58 8.952 -7.417 -2.041 1.00 0.00 C ATOM 0 H TRP A 58 5.228 -4.274 -6.088 1.00 0.00 H new ATOM 0 HA TRP A 58 7.819 -3.795 -5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.481 -5.683 -6.795 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.763 -5.075 -7.823 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.876 -6.455 -7.587 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.111 -7.741 -5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.664 -5.529 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.723 -8.279 -2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.126 -6.440 -1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.145 -7.811 -1.054 1.00 0.00 H new ATOM 901 N ASN A 59 8.489 -1.696 -6.461 1.00 0.00 N ATOM 902 CA ASN A 59 9.104 -0.602 -7.272 1.00 0.00 C ATOM 903 C ASN A 59 10.625 -0.662 -7.149 1.00 0.00 C ATOM 904 O ASN A 59 11.169 -0.567 -6.066 1.00 0.00 O ATOM 905 CB ASN A 59 8.606 0.748 -6.754 1.00 0.00 C ATOM 906 CG ASN A 59 7.311 1.124 -7.475 1.00 0.00 C ATOM 907 OD1 ASN A 59 6.576 0.181 -8.000 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 6.963 2.284 -7.562 1.00 0.00 N flip ATOM 0 H ASN A 59 8.548 -1.568 -5.451 1.00 0.00 H new ATOM 0 HA ASN A 59 8.823 -0.723 -8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.434 0.696 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.363 1.515 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.537 3.021 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.097 2.522 -8.045 1.00 0.00 H new ATOM 915 N MET A 60 11.314 -0.808 -8.252 1.00 0.00 N ATOM 916 CA MET A 60 12.801 -0.861 -8.203 1.00 0.00 C ATOM 917 C MET A 60 13.441 -0.044 -9.345 1.00 0.00 C ATOM 918 O MET A 60 14.459 -0.453 -9.869 1.00 0.00 O ATOM 919 CB MET A 60 13.253 -2.318 -8.322 1.00 0.00 C ATOM 920 CG MET A 60 12.696 -2.924 -9.612 1.00 0.00 C ATOM 921 SD MET A 60 14.058 -3.275 -10.751 1.00 0.00 S ATOM 922 CE MET A 60 14.736 -4.698 -9.863 1.00 0.00 C ATOM 0 H MET A 60 10.908 -0.893 -9.184 1.00 0.00 H new ATOM 0 HA MET A 60 13.123 -0.430 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 60 14.342 -2.373 -8.323 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.906 -2.889 -7.461 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.149 -3.840 -9.389 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.989 -2.235 -10.075 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.791 -5.554 -10.535 1.00 0.00 H new ATOM 0 HE2 MET A 60 15.735 -4.458 -9.499 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.091 -4.941 -9.018 1.00 0.00 H new ATOM 932 N PRO A 61 12.876 1.100 -9.691 1.00 0.00 N ATOM 933 CA PRO A 61 13.465 1.946 -10.745 1.00 0.00 C ATOM 934 C PRO A 61 14.914 2.260 -10.369 1.00 0.00 C ATOM 935 O PRO A 61 15.748 2.535 -11.207 1.00 0.00 O ATOM 936 CB PRO A 61 12.622 3.230 -10.741 1.00 0.00 C ATOM 937 CG PRO A 61 11.541 3.076 -9.642 1.00 0.00 C ATOM 938 CD PRO A 61 11.643 1.648 -9.090 1.00 0.00 C ATOM 0 HA PRO A 61 13.466 1.470 -11.726 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.249 4.099 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.158 3.387 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.696 3.806 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.548 3.258 -10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.699 1.647 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.771 1.054 -9.364 1.00 0.00 H new ATOM 946 N ASN A 62 15.204 2.214 -9.096 1.00 0.00 N ATOM 947 CA ASN A 62 16.583 2.500 -8.615 1.00 0.00 C ATOM 948 C ASN A 62 16.598 2.375 -7.089 1.00 0.00 C ATOM 949 O ASN A 62 16.917 3.312 -6.384 1.00 0.00 O ATOM 950 CB ASN A 62 16.987 3.920 -9.018 1.00 0.00 C ATOM 951 CG ASN A 62 15.815 4.874 -8.778 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.258 4.909 -7.699 1.00 0.00 O ATOM 953 ND2 ASN A 62 15.415 5.654 -9.744 1.00 0.00 N ATOM 0 H ASN A 62 14.534 1.987 -8.361 1.00 0.00 H new ATOM 0 HA ASN A 62 17.287 1.795 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.854 4.240 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.278 3.942 -10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.635 6.293 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.883 5.625 -10.650 1.00 0.00 H new ATOM 960 N MET A 63 16.240 1.224 -6.580 1.00 0.00 N ATOM 961 CA MET A 63 16.211 1.019 -5.101 1.00 0.00 C ATOM 962 C MET A 63 14.947 1.667 -4.527 1.00 0.00 C ATOM 963 O MET A 63 14.887 2.862 -4.317 1.00 0.00 O ATOM 964 CB MET A 63 17.452 1.648 -4.460 1.00 0.00 C ATOM 965 CG MET A 63 17.893 0.800 -3.265 1.00 0.00 C ATOM 966 SD MET A 63 19.102 1.719 -2.285 1.00 0.00 S ATOM 967 CE MET A 63 20.486 0.574 -2.501 1.00 0.00 C ATOM 0 H MET A 63 15.964 0.411 -7.131 1.00 0.00 H new ATOM 0 HA MET A 63 16.206 -0.049 -4.884 1.00 0.00 H new ATOM 0 HB2 MET A 63 18.258 1.714 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 63 17.232 2.665 -4.136 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.030 0.543 -2.650 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.328 -0.138 -3.612 1.00 0.00 H new ATOM 0 HE1 MET A 63 21.358 0.952 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.214 -0.404 -2.104 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.721 0.483 -3.561 1.00 0.00 H new ATOM 977 N ASP A 64 13.931 0.885 -4.278 1.00 0.00 N ATOM 978 CA ASP A 64 12.668 1.453 -3.724 1.00 0.00 C ATOM 979 C ASP A 64 11.758 0.315 -3.254 1.00 0.00 C ATOM 980 O ASP A 64 12.149 -0.834 -3.227 1.00 0.00 O ATOM 981 CB ASP A 64 11.960 2.259 -4.814 1.00 0.00 C ATOM 982 CG ASP A 64 12.311 3.741 -4.664 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.117 4.270 -3.582 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.769 4.322 -5.635 1.00 0.00 O ATOM 0 H ASP A 64 13.921 -0.123 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 64 12.897 2.102 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.261 1.901 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.881 2.121 -4.740 1.00 0.00 H new ATOM 989 N GLY A 65 10.546 0.629 -2.878 1.00 0.00 N ATOM 990 CA GLY A 65 9.611 -0.431 -2.401 1.00 0.00 C ATOM 991 C GLY A 65 10.068 -0.931 -1.028 1.00 0.00 C ATOM 992 O GLY A 65 9.432 -0.677 -0.024 1.00 0.00 O ATOM 0 H GLY A 65 10.163 1.575 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.597 -0.036 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.587 -1.257 -3.112 1.00 0.00 H new ATOM 996 N LEU A 66 11.169 -1.628 -0.970 1.00 0.00 N ATOM 997 CA LEU A 66 11.660 -2.123 0.346 1.00 0.00 C ATOM 998 C LEU A 66 12.100 -0.928 1.195 1.00 0.00 C ATOM 999 O LEU A 66 11.550 -0.667 2.246 1.00 0.00 O ATOM 1000 CB LEU A 66 12.845 -3.069 0.127 1.00 0.00 C ATOM 1001 CG LEU A 66 12.402 -4.521 0.347 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.030 -4.750 1.819 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.184 -4.817 -0.536 1.00 0.00 C ATOM 0 H LEU A 66 11.747 -1.875 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 66 10.864 -2.662 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.236 -2.948 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.653 -2.818 0.814 1.00 0.00 H new ATOM 0 HG LEU A 66 13.225 -5.186 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.718 -5.785 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.895 -4.544 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.213 -4.084 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.866 -5.848 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.370 -4.143 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.450 -4.671 -1.583 1.00 0.00 H new ATOM 1015 N GLU A 67 13.078 -0.190 0.743 1.00 0.00 N ATOM 1016 CA GLU A 67 13.534 0.993 1.524 1.00 0.00 C ATOM 1017 C GLU A 67 12.363 1.968 1.664 1.00 0.00 C ATOM 1018 O GLU A 67 12.403 2.905 2.436 1.00 0.00 O ATOM 1019 CB GLU A 67 14.686 1.681 0.788 1.00 0.00 C ATOM 1020 CG GLU A 67 15.450 2.579 1.763 1.00 0.00 C ATOM 1021 CD GLU A 67 16.028 3.778 1.009 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.821 3.559 0.108 1.00 0.00 O ATOM 1023 OE2 GLU A 67 15.667 4.893 1.344 1.00 0.00 O ATOM 0 H GLU A 67 13.579 -0.355 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 67 13.878 0.678 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.357 0.935 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.300 2.273 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.785 2.921 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.252 2.016 2.240 1.00 0.00 H new ATOM 1030 N LEU A 68 11.320 1.742 0.915 1.00 0.00 N ATOM 1031 CA LEU A 68 10.127 2.633 0.980 1.00 0.00 C ATOM 1032 C LEU A 68 9.382 2.367 2.290 1.00 0.00 C ATOM 1033 O LEU A 68 8.999 3.279 2.997 1.00 0.00 O ATOM 1034 CB LEU A 68 9.211 2.289 -0.212 1.00 0.00 C ATOM 1035 CG LEU A 68 8.769 3.525 -1.018 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.941 3.242 -2.520 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.292 3.802 -0.735 1.00 0.00 C ATOM 0 H LEU A 68 11.242 0.970 0.253 1.00 0.00 H new ATOM 0 HA LEU A 68 10.422 3.681 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.733 1.599 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.327 1.769 0.157 1.00 0.00 H new ATOM 0 HG LEU A 68 9.375 4.385 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.629 4.115 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.988 3.024 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.328 2.386 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.971 4.676 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.697 2.938 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.155 3.990 0.330 1.00 0.00 H new ATOM 1049 N LEU A 69 9.172 1.121 2.618 1.00 0.00 N ATOM 1050 CA LEU A 69 8.453 0.789 3.880 1.00 0.00 C ATOM 1051 C LEU A 69 9.448 0.794 5.044 1.00 0.00 C ATOM 1052 O LEU A 69 9.106 1.107 6.167 1.00 0.00 O ATOM 1053 CB LEU A 69 7.766 -0.583 3.713 1.00 0.00 C ATOM 1054 CG LEU A 69 8.423 -1.676 4.588 1.00 0.00 C ATOM 1055 CD1 LEU A 69 8.027 -1.505 6.070 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.959 -3.065 4.108 1.00 0.00 C ATOM 0 H LEU A 69 9.468 0.317 2.065 1.00 0.00 H new ATOM 0 HA LEU A 69 7.684 1.530 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.712 -0.494 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.809 -0.884 2.666 1.00 0.00 H new ATOM 0 HG LEU A 69 9.505 -1.584 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.501 -2.285 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.356 -0.528 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.944 -1.581 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.422 -3.836 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.875 -3.135 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.252 -3.207 3.068 1.00 0.00 H new ATOM 1068 N LYS A 70 10.683 0.459 4.777 1.00 0.00 N ATOM 1069 CA LYS A 70 11.706 0.453 5.860 1.00 0.00 C ATOM 1070 C LYS A 70 11.849 1.867 6.421 1.00 0.00 C ATOM 1071 O LYS A 70 11.969 2.063 7.613 1.00 0.00 O ATOM 1072 CB LYS A 70 13.052 -0.006 5.292 1.00 0.00 C ATOM 1073 CG LYS A 70 13.937 -0.530 6.424 1.00 0.00 C ATOM 1074 CD LYS A 70 15.401 -0.506 5.979 1.00 0.00 C ATOM 1075 CE LYS A 70 16.263 -1.234 7.012 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.644 -1.399 6.475 1.00 0.00 N ATOM 0 H LYS A 70 11.026 0.189 3.855 1.00 0.00 H new ATOM 0 HA LYS A 70 11.396 -0.229 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.896 -0.787 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.546 0.823 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.807 0.083 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.643 -1.545 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.503 -0.983 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.741 0.524 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.288 -0.669 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.831 -2.208 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.232 -1.894 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.611 -1.955 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.054 -0.464 6.278 1.00 0.00 H new ATOM 1090 N THR A 71 11.829 2.857 5.569 1.00 0.00 N ATOM 1091 CA THR A 71 11.955 4.259 6.056 1.00 0.00 C ATOM 1092 C THR A 71 10.693 4.631 6.836 1.00 0.00 C ATOM 1093 O THR A 71 10.755 5.257 7.875 1.00 0.00 O ATOM 1094 CB THR A 71 12.116 5.205 4.862 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.286 4.854 4.137 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.237 6.645 5.363 1.00 0.00 C ATOM 0 H THR A 71 11.731 2.755 4.559 1.00 0.00 H new ATOM 0 HA THR A 71 12.828 4.346 6.703 1.00 0.00 H new ATOM 0 HB THR A 71 11.246 5.121 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.109 4.056 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.352 7.318 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.339 6.913 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.107 6.732 6.014 1.00 0.00 H new ATOM 1104 N ILE A 72 9.549 4.239 6.346 1.00 0.00 N ATOM 1105 CA ILE A 72 8.285 4.560 7.064 1.00 0.00 C ATOM 1106 C ILE A 72 8.265 3.799 8.391 1.00 0.00 C ATOM 1107 O ILE A 72 7.681 4.236 9.363 1.00 0.00 O ATOM 1108 CB ILE A 72 7.086 4.135 6.208 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.080 4.936 4.902 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.790 4.403 6.975 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.035 4.354 3.944 1.00 0.00 C ATOM 0 H ILE A 72 9.436 3.711 5.481 1.00 0.00 H new ATOM 0 HA ILE A 72 8.227 5.632 7.251 1.00 0.00 H new ATOM 0 HB ILE A 72 7.161 3.071 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.856 5.983 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.067 4.906 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.938 4.101 6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.793 3.833 7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.715 5.466 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.033 4.926 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.278 3.314 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.049 4.408 4.405 1.00 0.00 H new ATOM 1123 N ARG A 73 8.903 2.661 8.437 1.00 0.00 N ATOM 1124 CA ARG A 73 8.929 1.867 9.697 1.00 0.00 C ATOM 1125 C ARG A 73 10.137 2.280 10.542 1.00 0.00 C ATOM 1126 O ARG A 73 10.149 2.115 11.745 1.00 0.00 O ATOM 1127 CB ARG A 73 9.031 0.378 9.359 1.00 0.00 C ATOM 1128 CG ARG A 73 8.873 -0.448 10.637 1.00 0.00 C ATOM 1129 CD ARG A 73 9.038 -1.934 10.314 1.00 0.00 C ATOM 1130 NE ARG A 73 9.381 -2.677 11.559 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.872 -3.860 11.774 1.00 0.00 C ATOM 1132 NH1 ARG A 73 7.597 -3.986 12.020 1.00 0.00 N ATOM 1133 NH2 ARG A 73 9.639 -4.915 11.743 1.00 0.00 N ATOM 0 H ARG A 73 9.408 2.247 7.654 1.00 0.00 H new ATOM 0 HA ARG A 73 8.014 2.053 10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.260 0.104 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.993 0.165 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.616 -0.141 11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.893 -0.269 11.079 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.117 -2.328 9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.822 -2.070 9.569 1.00 0.00 H new ATOM 0 HE ARG A 73 10.013 -2.262 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.998 -3.161 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.199 -4.910 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.636 -4.815 11.551 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.242 -5.839 11.911 1.00 0.00 H new ATOM 1147 N ALA A 74 11.154 2.812 9.921 1.00 0.00 N ATOM 1148 CA ALA A 74 12.361 3.231 10.688 1.00 0.00 C ATOM 1149 C ALA A 74 11.932 4.034 11.918 1.00 0.00 C ATOM 1150 O ALA A 74 12.603 4.043 12.930 1.00 0.00 O ATOM 1151 CB ALA A 74 13.257 4.096 9.800 1.00 0.00 C ATOM 0 H ALA A 74 11.201 2.975 8.915 1.00 0.00 H new ATOM 0 HA ALA A 74 12.913 2.346 11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.140 4.402 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.564 3.523 8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.706 4.980 9.479 1.00 0.00 H new ATOM 1157 N ASP A 75 10.819 4.708 11.837 1.00 0.00 N ATOM 1158 CA ASP A 75 10.348 5.510 13.000 1.00 0.00 C ATOM 1159 C ASP A 75 9.506 4.623 13.920 1.00 0.00 C ATOM 1160 O ASP A 75 8.622 3.916 13.477 1.00 0.00 O ATOM 1161 CB ASP A 75 9.501 6.681 12.500 1.00 0.00 C ATOM 1162 CG ASP A 75 9.994 7.978 13.144 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.177 8.258 13.037 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.180 8.670 13.733 1.00 0.00 O ATOM 0 H ASP A 75 10.215 4.738 11.016 1.00 0.00 H new ATOM 0 HA ASP A 75 11.206 5.894 13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.566 6.754 11.414 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.452 6.516 12.746 1.00 0.00 H new ATOM 1169 N GLY A 76 9.774 4.651 15.197 1.00 0.00 N ATOM 1170 CA GLY A 76 8.990 3.806 16.144 1.00 0.00 C ATOM 1171 C GLY A 76 7.573 4.364 16.279 1.00 0.00 C ATOM 1172 O GLY A 76 6.649 3.658 16.630 1.00 0.00 O ATOM 0 H GLY A 76 10.502 5.222 15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.954 2.778 15.785 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.478 3.786 17.118 1.00 0.00 H new ATOM 1176 N ALA A 77 7.392 5.628 16.006 1.00 0.00 N ATOM 1177 CA ALA A 77 6.033 6.228 16.123 1.00 0.00 C ATOM 1178 C ALA A 77 5.311 6.126 14.778 1.00 0.00 C ATOM 1179 O ALA A 77 4.100 6.055 14.716 1.00 0.00 O ATOM 1180 CB ALA A 77 6.159 7.700 16.523 1.00 0.00 C ATOM 0 H ALA A 77 8.126 6.270 15.707 1.00 0.00 H new ATOM 0 HA ALA A 77 5.464 5.691 16.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.165 8.140 16.609 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.673 7.774 17.482 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.729 8.236 15.764 1.00 0.00 H new ATOM 1186 N MET A 78 6.045 6.120 13.699 1.00 0.00 N ATOM 1187 CA MET A 78 5.400 6.023 12.360 1.00 0.00 C ATOM 1188 C MET A 78 5.306 4.554 11.943 1.00 0.00 C ATOM 1189 O MET A 78 4.901 4.236 10.843 1.00 0.00 O ATOM 1190 CB MET A 78 6.233 6.793 11.332 1.00 0.00 C ATOM 1191 CG MET A 78 5.337 7.229 10.171 1.00 0.00 C ATOM 1192 SD MET A 78 4.235 8.553 10.726 1.00 0.00 S ATOM 1193 CE MET A 78 5.347 9.937 10.375 1.00 0.00 C ATOM 0 H MET A 78 7.063 6.178 13.687 1.00 0.00 H new ATOM 0 HA MET A 78 4.399 6.452 12.409 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.691 7.665 11.799 1.00 0.00 H new ATOM 0 HB3 MET A 78 7.045 6.166 10.963 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.947 7.575 9.336 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.753 6.382 9.810 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.860 10.873 10.647 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.264 9.823 10.954 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.588 9.949 9.312 1.00 0.00 H new ATOM 1203 N SER A 79 5.674 3.656 12.815 1.00 0.00 N ATOM 1204 CA SER A 79 5.602 2.209 12.468 1.00 0.00 C ATOM 1205 C SER A 79 4.138 1.773 12.426 1.00 0.00 C ATOM 1206 O SER A 79 3.832 0.598 12.402 1.00 0.00 O ATOM 1207 CB SER A 79 6.350 1.391 13.521 1.00 0.00 C ATOM 1208 OG SER A 79 6.613 0.092 13.007 1.00 0.00 O ATOM 0 H SER A 79 6.021 3.862 13.752 1.00 0.00 H new ATOM 0 HA SER A 79 6.060 2.044 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.284 1.886 13.786 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.757 1.321 14.433 1.00 0.00 H new ATOM 0 HG SER A 79 5.795 -0.276 12.613 1.00 0.00 H new ATOM 1214 N ALA A 80 3.233 2.716 12.419 1.00 0.00 N ATOM 1215 CA ALA A 80 1.785 2.368 12.381 1.00 0.00 C ATOM 1216 C ALA A 80 1.259 2.511 10.951 1.00 0.00 C ATOM 1217 O ALA A 80 0.437 1.735 10.512 1.00 0.00 O ATOM 1218 CB ALA A 80 1.011 3.312 13.303 1.00 0.00 C ATOM 0 H ALA A 80 3.437 3.715 12.438 1.00 0.00 H new ATOM 0 HA ALA A 80 1.652 1.339 12.715 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.049 3.059 13.276 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.383 3.211 14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.147 4.340 12.968 1.00 0.00 H new ATOM 1224 N LEU A 81 1.731 3.502 10.233 1.00 0.00 N ATOM 1225 CA LEU A 81 1.271 3.724 8.825 1.00 0.00 C ATOM 1226 C LEU A 81 1.088 2.359 8.114 1.00 0.00 C ATOM 1227 O LEU A 81 2.069 1.747 7.739 1.00 0.00 O ATOM 1228 CB LEU A 81 2.337 4.540 8.079 1.00 0.00 C ATOM 1229 CG LEU A 81 1.700 5.778 7.430 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.560 5.352 6.502 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.153 6.710 8.515 1.00 0.00 C ATOM 0 H LEU A 81 2.423 4.174 10.566 1.00 0.00 H new ATOM 0 HA LEU A 81 0.321 4.259 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.121 4.846 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.809 3.922 7.315 1.00 0.00 H new ATOM 0 HG LEU A 81 2.459 6.303 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.113 6.235 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.951 4.699 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.197 4.818 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.702 7.586 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.400 6.183 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.967 7.025 9.168 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.144 1.891 7.961 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.391 0.586 7.316 1.00 0.00 C ATOM 1245 C PRO A 82 0.047 0.593 5.844 1.00 0.00 C ATOM 1246 O PRO A 82 -0.697 0.987 4.967 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.911 0.371 7.417 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.515 1.602 8.131 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.374 2.590 8.406 1.00 0.00 C ATOM 0 HA PRO A 82 0.177 -0.208 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.347 0.253 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.132 -0.540 7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.281 2.066 7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.997 1.305 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.518 3.522 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.321 2.847 9.464 1.00 0.00 H new ATOM 1257 N VAL A 83 1.234 0.123 5.563 1.00 0.00 N ATOM 1258 CA VAL A 83 1.694 0.058 4.144 1.00 0.00 C ATOM 1259 C VAL A 83 1.482 -1.354 3.660 1.00 0.00 C ATOM 1260 O VAL A 83 2.222 -2.244 4.025 1.00 0.00 O ATOM 1261 CB VAL A 83 3.192 0.381 4.028 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.827 -0.383 2.842 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.368 1.867 3.782 1.00 0.00 C ATOM 0 H VAL A 83 1.904 -0.218 6.253 1.00 0.00 H new ATOM 0 HA VAL A 83 1.134 0.784 3.555 1.00 0.00 H new ATOM 0 HB VAL A 83 3.679 0.081 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.888 -0.140 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.709 -1.456 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.332 -0.093 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.430 2.099 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.863 2.145 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.938 2.427 4.613 1.00 0.00 H new ATOM 1273 N LEU A 84 0.502 -1.590 2.845 1.00 0.00 N ATOM 1274 CA LEU A 84 0.327 -2.975 2.359 1.00 0.00 C ATOM 1275 C LEU A 84 1.018 -3.059 1.012 1.00 0.00 C ATOM 1276 O LEU A 84 0.534 -2.559 0.017 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.167 -3.328 2.256 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.406 -4.795 1.811 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.285 -5.742 2.269 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.714 -5.287 2.428 1.00 0.00 C ATOM 0 H LEU A 84 -0.170 -0.903 2.502 1.00 0.00 H new ATOM 0 HA LEU A 84 0.765 -3.695 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.642 -3.164 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.647 -2.654 1.546 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.436 -4.803 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.503 -6.755 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.664 -5.414 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.220 -5.729 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.895 -6.318 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.645 -5.236 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.536 -4.658 2.087 1.00 0.00 H new ATOM 1292 N MET A 85 2.175 -3.658 0.981 1.00 0.00 N ATOM 1293 CA MET A 85 2.915 -3.730 -0.298 1.00 0.00 C ATOM 1294 C MET A 85 2.086 -4.532 -1.300 1.00 0.00 C ATOM 1295 O MET A 85 1.169 -5.236 -0.927 1.00 0.00 O ATOM 1296 CB MET A 85 4.279 -4.391 -0.067 1.00 0.00 C ATOM 1297 CG MET A 85 5.114 -4.331 -1.352 1.00 0.00 C ATOM 1298 SD MET A 85 6.809 -3.834 -0.950 1.00 0.00 S ATOM 1299 CE MET A 85 6.496 -2.058 -0.799 1.00 0.00 C ATOM 0 H MET A 85 2.633 -4.096 1.781 1.00 0.00 H new ATOM 0 HA MET A 85 3.084 -2.729 -0.695 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.805 -3.885 0.743 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.143 -5.428 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.116 -5.304 -1.843 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.672 -3.622 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.387 -1.563 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.249 -1.648 -1.778 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.664 -1.892 -0.115 1.00 0.00 H new ATOM 1309 N VAL A 86 2.378 -4.404 -2.566 1.00 0.00 N ATOM 1310 CA VAL A 86 1.582 -5.129 -3.597 1.00 0.00 C ATOM 1311 C VAL A 86 2.509 -5.759 -4.638 1.00 0.00 C ATOM 1312 O VAL A 86 3.463 -5.151 -5.077 1.00 0.00 O ATOM 1313 CB VAL A 86 0.662 -4.111 -4.275 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.286 -4.820 -5.234 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.144 -3.367 -3.206 1.00 0.00 C ATOM 0 H VAL A 86 3.136 -3.827 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 86 1.002 -5.926 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 86 1.266 -3.400 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.936 -4.087 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.292 -5.343 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.892 -5.538 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.801 -2.641 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.743 -4.080 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.538 -2.850 -2.531 1.00 0.00 H new ATOM 1325 N THR A 87 2.244 -6.974 -5.047 1.00 0.00 N ATOM 1326 CA THR A 87 3.131 -7.607 -6.069 1.00 0.00 C ATOM 1327 C THR A 87 2.330 -8.591 -6.921 1.00 0.00 C ATOM 1328 O THR A 87 1.312 -9.099 -6.504 1.00 0.00 O ATOM 1329 CB THR A 87 4.281 -8.344 -5.379 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.002 -9.097 -6.342 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.723 -9.280 -4.310 1.00 0.00 C ATOM 0 H THR A 87 1.465 -7.547 -4.724 1.00 0.00 H new ATOM 0 HA THR A 87 3.538 -6.826 -6.711 1.00 0.00 H new ATOM 0 HB THR A 87 4.947 -7.620 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.740 -9.569 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.544 -9.804 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.170 -8.700 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.056 -10.006 -4.774 1.00 0.00 H new ATOM 1339 N ALA A 88 2.791 -8.862 -8.114 1.00 0.00 N ATOM 1340 CA ALA A 88 2.066 -9.816 -9.004 1.00 0.00 C ATOM 1341 C ALA A 88 2.782 -11.167 -8.993 1.00 0.00 C ATOM 1342 O ALA A 88 2.170 -12.206 -9.138 1.00 0.00 O ATOM 1343 CB ALA A 88 2.049 -9.263 -10.431 1.00 0.00 C ATOM 0 H ALA A 88 3.641 -8.462 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 88 1.044 -9.943 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.520 -9.957 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.542 -8.298 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.072 -9.139 -10.786 1.00 0.00 H new ATOM 1349 N GLU A 89 4.077 -11.162 -8.822 1.00 0.00 N ATOM 1350 CA GLU A 89 4.831 -12.446 -8.805 1.00 0.00 C ATOM 1351 C GLU A 89 4.695 -13.102 -7.430 1.00 0.00 C ATOM 1352 O GLU A 89 4.183 -14.196 -7.301 1.00 0.00 O ATOM 1353 CB GLU A 89 6.309 -12.172 -9.095 1.00 0.00 C ATOM 1354 CG GLU A 89 6.912 -13.357 -9.849 1.00 0.00 C ATOM 1355 CD GLU A 89 6.475 -13.308 -11.314 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.735 -12.403 -11.662 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.889 -14.177 -12.065 1.00 0.00 O ATOM 0 H GLU A 89 4.644 -10.324 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 89 4.427 -13.114 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.411 -11.262 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.849 -12.009 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.000 -13.328 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.589 -14.293 -9.394 1.00 0.00 H new ATOM 1364 N ALA A 90 5.154 -12.443 -6.400 1.00 0.00 N ATOM 1365 CA ALA A 90 5.055 -13.030 -5.033 1.00 0.00 C ATOM 1366 C ALA A 90 5.532 -14.486 -5.075 1.00 0.00 C ATOM 1367 O ALA A 90 5.042 -15.335 -4.357 1.00 0.00 O ATOM 1368 CB ALA A 90 3.601 -12.969 -4.551 1.00 0.00 C ATOM 0 H ALA A 90 5.593 -11.524 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 90 5.681 -12.464 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.531 -13.399 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.270 -11.931 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.967 -13.534 -5.234 1.00 0.00 H new ATOM 1374 N LYS A 91 6.488 -14.776 -5.918 1.00 0.00 N ATOM 1375 CA LYS A 91 7.006 -16.172 -6.020 1.00 0.00 C ATOM 1376 C LYS A 91 7.220 -16.749 -4.619 1.00 0.00 C ATOM 1377 O LYS A 91 6.537 -17.665 -4.204 1.00 0.00 O ATOM 1378 CB LYS A 91 8.340 -16.165 -6.774 1.00 0.00 C ATOM 1379 CG LYS A 91 8.321 -17.241 -7.861 1.00 0.00 C ATOM 1380 CD LYS A 91 9.675 -17.266 -8.574 1.00 0.00 C ATOM 1381 CE LYS A 91 9.684 -18.389 -9.613 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.731 -18.111 -10.636 1.00 0.00 N ATOM 0 H LYS A 91 6.934 -14.104 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 91 6.283 -16.786 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.512 -15.186 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.162 -16.348 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.112 -18.216 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.524 -17.037 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.861 -16.307 -9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.476 -17.419 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.879 -19.346 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.707 -18.466 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.737 -18.874 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.526 -17.206 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.662 -18.058 -10.175 1.00 0.00 H new ATOM 1396 N LYS A 92 8.162 -16.222 -3.887 1.00 0.00 N ATOM 1397 CA LYS A 92 8.419 -16.742 -2.515 1.00 0.00 C ATOM 1398 C LYS A 92 9.334 -15.771 -1.765 1.00 0.00 C ATOM 1399 O LYS A 92 8.885 -14.967 -0.972 1.00 0.00 O ATOM 1400 CB LYS A 92 9.095 -18.112 -2.607 1.00 0.00 C ATOM 1401 CG LYS A 92 9.359 -18.649 -1.199 1.00 0.00 C ATOM 1402 CD LYS A 92 9.740 -20.129 -1.279 1.00 0.00 C ATOM 1403 CE LYS A 92 10.731 -20.464 -0.163 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.890 -21.943 -0.066 1.00 0.00 N ATOM 0 H LYS A 92 8.765 -15.453 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 92 7.474 -16.838 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.460 -18.806 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.032 -18.030 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.161 -18.081 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.472 -18.524 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.849 -20.750 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.183 -20.349 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.695 -19.997 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.375 -20.063 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.564 -22.171 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.969 -22.378 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.248 -22.314 -0.969 1.00 0.00 H new ATOM 1418 N GLU A 93 10.614 -15.840 -2.007 1.00 0.00 N ATOM 1419 CA GLU A 93 11.555 -14.928 -1.310 1.00 0.00 C ATOM 1420 C GLU A 93 11.144 -13.473 -1.557 1.00 0.00 C ATOM 1421 O GLU A 93 11.618 -12.566 -0.903 1.00 0.00 O ATOM 1422 CB GLU A 93 12.973 -15.155 -1.840 1.00 0.00 C ATOM 1423 CG GLU A 93 13.039 -14.755 -3.316 1.00 0.00 C ATOM 1424 CD GLU A 93 13.780 -13.424 -3.452 1.00 0.00 C ATOM 1425 OE1 GLU A 93 13.619 -12.589 -2.578 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.494 -13.263 -4.427 1.00 0.00 O ATOM 0 H GLU A 93 11.047 -16.492 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 93 11.529 -15.133 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.687 -14.568 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.252 -16.202 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.550 -15.528 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.033 -14.666 -3.725 1.00 0.00 H new ATOM 1433 N ASN A 94 10.269 -13.243 -2.499 1.00 0.00 N ATOM 1434 CA ASN A 94 9.835 -11.847 -2.786 1.00 0.00 C ATOM 1435 C ASN A 94 8.730 -11.441 -1.809 1.00 0.00 C ATOM 1436 O ASN A 94 8.497 -10.272 -1.571 1.00 0.00 O ATOM 1437 CB ASN A 94 9.309 -11.761 -4.218 1.00 0.00 C ATOM 1438 CG ASN A 94 10.478 -11.536 -5.179 1.00 0.00 C ATOM 1439 OD1 ASN A 94 10.664 -10.446 -5.683 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.280 -12.528 -5.454 1.00 0.00 N ATOM 0 H ASN A 94 9.837 -13.961 -3.081 1.00 0.00 H new ATOM 0 HA ASN A 94 10.684 -11.173 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.782 -12.679 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.591 -10.945 -4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.063 -12.389 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.124 -13.443 -5.031 1.00 0.00 H new ATOM 1447 N ILE A 95 8.049 -12.392 -1.231 1.00 0.00 N ATOM 1448 CA ILE A 95 6.973 -12.043 -0.263 1.00 0.00 C ATOM 1449 C ILE A 95 7.616 -11.689 1.075 1.00 0.00 C ATOM 1450 O ILE A 95 7.328 -10.667 1.665 1.00 0.00 O ATOM 1451 CB ILE A 95 6.029 -13.231 -0.075 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.167 -13.393 -1.328 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.126 -12.974 1.134 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.416 -14.725 -1.265 1.00 0.00 C ATOM 0 H ILE A 95 8.190 -13.390 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 95 6.401 -11.196 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 95 6.609 -14.139 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.459 -12.568 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.793 -13.359 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.452 -13.819 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.739 -12.851 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.543 -12.068 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.802 -14.839 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.133 -15.544 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.778 -14.741 -0.382 1.00 0.00 H new ATOM 1466 N ILE A 96 8.498 -12.524 1.554 1.00 0.00 N ATOM 1467 CA ILE A 96 9.168 -12.228 2.847 1.00 0.00 C ATOM 1468 C ILE A 96 9.994 -10.951 2.697 1.00 0.00 C ATOM 1469 O ILE A 96 10.346 -10.316 3.668 1.00 0.00 O ATOM 1470 CB ILE A 96 10.094 -13.386 3.230 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.265 -14.556 3.772 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.072 -12.918 4.309 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.383 -15.127 2.661 1.00 0.00 C ATOM 0 H ILE A 96 8.781 -13.395 1.105 1.00 0.00 H new ATOM 0 HA ILE A 96 8.416 -12.098 3.625 1.00 0.00 H new ATOM 0 HB ILE A 96 10.646 -13.712 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.925 -15.332 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.646 -14.220 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.732 -13.741 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.666 -12.088 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.516 -12.591 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.797 -15.958 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.712 -14.351 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.011 -15.480 1.843 1.00 0.00 H new ATOM 1485 N ALA A 97 10.308 -10.573 1.486 1.00 0.00 N ATOM 1486 CA ALA A 97 11.115 -9.337 1.280 1.00 0.00 C ATOM 1487 C ALA A 97 10.363 -8.136 1.853 1.00 0.00 C ATOM 1488 O ALA A 97 10.842 -7.462 2.742 1.00 0.00 O ATOM 1489 CB ALA A 97 11.371 -9.128 -0.213 1.00 0.00 C ATOM 0 H ALA A 97 10.041 -11.066 0.634 1.00 0.00 H new ATOM 0 HA ALA A 97 12.072 -9.440 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.961 -8.223 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.915 -9.984 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.419 -9.028 -0.735 1.00 0.00 H new ATOM 1495 N ALA A 98 9.184 -7.864 1.368 1.00 0.00 N ATOM 1496 CA ALA A 98 8.418 -6.708 1.918 1.00 0.00 C ATOM 1497 C ALA A 98 8.341 -6.853 3.425 1.00 0.00 C ATOM 1498 O ALA A 98 8.669 -5.953 4.171 1.00 0.00 O ATOM 1499 CB ALA A 98 6.990 -6.698 1.380 1.00 0.00 C ATOM 0 H ALA A 98 8.721 -8.384 0.623 1.00 0.00 H new ATOM 0 HA ALA A 98 8.923 -5.787 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.451 -5.846 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.011 -6.620 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.486 -7.621 1.667 1.00 0.00 H new ATOM 1505 N ALA A 99 7.881 -7.983 3.876 1.00 0.00 N ATOM 1506 CA ALA A 99 7.749 -8.189 5.326 1.00 0.00 C ATOM 1507 C ALA A 99 9.136 -8.224 5.979 1.00 0.00 C ATOM 1508 O ALA A 99 9.263 -8.018 7.169 1.00 0.00 O ATOM 1509 CB ALA A 99 7.023 -9.504 5.597 1.00 0.00 C ATOM 0 H ALA A 99 7.592 -8.770 3.295 1.00 0.00 H new ATOM 0 HA ALA A 99 7.175 -7.365 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.928 -9.652 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.031 -9.472 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.591 -10.329 5.166 1.00 0.00 H new ATOM 1515 N GLN A 100 10.181 -8.474 5.221 1.00 0.00 N ATOM 1516 CA GLN A 100 11.539 -8.489 5.843 1.00 0.00 C ATOM 1517 C GLN A 100 11.660 -7.199 6.629 1.00 0.00 C ATOM 1518 O GLN A 100 12.290 -7.126 7.666 1.00 0.00 O ATOM 1519 CB GLN A 100 12.630 -8.542 4.769 1.00 0.00 C ATOM 1520 CG GLN A 100 13.990 -8.759 5.436 1.00 0.00 C ATOM 1521 CD GLN A 100 14.528 -10.141 5.064 1.00 0.00 C ATOM 1522 OE1 GLN A 100 15.578 -10.257 4.464 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.846 -11.204 5.396 1.00 0.00 N ATOM 0 H GLN A 100 10.151 -8.664 4.219 1.00 0.00 H new ATOM 0 HA GLN A 100 11.663 -9.366 6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.425 -9.349 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.637 -7.615 4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.690 -7.987 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.893 -8.674 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.964 -11.108 5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.195 -12.131 5.152 1.00 0.00 H new ATOM 1532 N ALA A 101 10.997 -6.191 6.146 1.00 0.00 N ATOM 1533 CA ALA A 101 10.980 -4.890 6.845 1.00 0.00 C ATOM 1534 C ALA A 101 9.752 -4.909 7.752 1.00 0.00 C ATOM 1535 O ALA A 101 9.708 -4.280 8.790 1.00 0.00 O ATOM 1536 CB ALA A 101 10.862 -3.764 5.823 1.00 0.00 C ATOM 0 H ALA A 101 10.458 -6.218 5.281 1.00 0.00 H new ATOM 0 HA ALA A 101 11.891 -4.728 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.849 -2.804 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.713 -3.799 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.939 -3.883 5.256 1.00 0.00 H new ATOM 1542 N GLY A 102 8.768 -5.681 7.364 1.00 0.00 N ATOM 1543 CA GLY A 102 7.542 -5.823 8.182 1.00 0.00 C ATOM 1544 C GLY A 102 6.644 -4.601 8.071 1.00 0.00 C ATOM 1545 O GLY A 102 6.531 -3.843 9.015 1.00 0.00 O ATOM 0 H GLY A 102 8.770 -6.224 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.992 -6.708 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.817 -5.978 9.225 1.00 0.00 H new ATOM 1549 N ALA A 103 5.970 -4.385 6.961 1.00 0.00 N ATOM 1550 CA ALA A 103 5.089 -3.188 6.939 1.00 0.00 C ATOM 1551 C ALA A 103 3.710 -3.576 7.457 1.00 0.00 C ATOM 1552 O ALA A 103 3.540 -3.966 8.595 1.00 0.00 O ATOM 1553 CB ALA A 103 4.924 -2.752 5.482 1.00 0.00 C ATOM 0 H ALA A 103 5.992 -4.956 6.116 1.00 0.00 H new ATOM 0 HA ALA A 103 5.519 -2.395 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.281 -1.873 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.900 -2.509 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.474 -3.562 4.909 1.00 0.00 H new ATOM 1559 N SER A 104 2.752 -3.556 6.591 1.00 0.00 N ATOM 1560 CA SER A 104 1.383 -4.015 6.962 1.00 0.00 C ATOM 1561 C SER A 104 1.274 -5.493 6.628 1.00 0.00 C ATOM 1562 O SER A 104 0.823 -6.311 7.405 1.00 0.00 O ATOM 1563 CB SER A 104 0.308 -3.224 6.220 1.00 0.00 C ATOM 1564 OG SER A 104 -0.150 -3.978 5.108 1.00 0.00 O ATOM 0 H SER A 104 2.852 -3.238 5.627 1.00 0.00 H new ATOM 0 HA SER A 104 1.224 -3.851 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.523 -3.002 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.711 -2.268 5.884 1.00 0.00 H new ATOM 0 HG SER A 104 -1.087 -3.757 4.927 1.00 0.00 H new ATOM 1570 N GLY A 105 1.671 -5.806 5.421 1.00 0.00 N ATOM 1571 CA GLY A 105 1.596 -7.203 4.915 1.00 0.00 C ATOM 1572 C GLY A 105 1.905 -7.215 3.412 1.00 0.00 C ATOM 1573 O GLY A 105 2.492 -6.285 2.878 1.00 0.00 O ATOM 0 H GLY A 105 2.051 -5.135 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.306 -7.834 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.604 -7.615 5.097 1.00 0.00 H new ATOM 1577 N TYR A 106 1.501 -8.258 2.730 1.00 0.00 N ATOM 1578 CA TYR A 106 1.746 -8.345 1.260 1.00 0.00 C ATOM 1579 C TYR A 106 0.503 -8.905 0.574 1.00 0.00 C ATOM 1580 O TYR A 106 0.035 -9.978 0.901 1.00 0.00 O ATOM 1581 CB TYR A 106 2.925 -9.280 0.973 1.00 0.00 C ATOM 1582 CG TYR A 106 2.474 -10.396 0.051 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.272 -10.153 -1.317 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.256 -11.682 0.566 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.856 -11.192 -2.156 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.841 -12.717 -0.277 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.641 -12.473 -1.638 1.00 0.00 C ATOM 1588 OH TYR A 106 1.231 -13.495 -2.470 1.00 0.00 O ATOM 0 H TYR A 106 1.010 -9.056 3.132 1.00 0.00 H new ATOM 0 HA TYR A 106 1.973 -7.348 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.741 -8.722 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.308 -9.696 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.438 -9.165 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.409 -11.873 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.700 -11.004 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.675 -13.706 0.124 1.00 0.00 H new ATOM 0 HH TYR A 106 1.130 -14.319 -1.950 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.022 -8.190 -0.385 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.226 -8.673 -1.119 1.00 0.00 C ATOM 1600 C VAL A 107 -0.826 -8.963 -2.561 1.00 0.00 C ATOM 1601 O VAL A 107 -0.200 -8.153 -3.217 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.312 -7.596 -1.096 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.867 -6.400 -1.936 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.609 -8.169 -1.673 1.00 0.00 C ATOM 0 H VAL A 107 0.335 -7.285 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.614 -9.575 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.480 -7.274 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.642 -5.634 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.943 -5.991 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.697 -6.720 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.384 -7.403 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.439 -8.492 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.929 -9.021 -1.073 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.174 -10.111 -3.066 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.800 -10.430 -4.468 1.00 0.00 C ATOM 1616 C VAL A 108 -1.847 -9.829 -5.412 1.00 0.00 C ATOM 1617 O VAL A 108 -3.026 -10.097 -5.295 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.758 -11.951 -4.661 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.880 -12.603 -3.853 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.946 -12.278 -6.144 1.00 0.00 C ATOM 0 H VAL A 108 -1.696 -10.836 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 108 0.183 -10.013 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 108 0.204 -12.333 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.848 -13.684 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.751 -12.369 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.843 -12.222 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.917 -13.358 -6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.908 -11.894 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.147 -11.815 -6.723 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.428 -9.017 -6.345 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.398 -8.395 -7.295 1.00 0.00 C ATOM 1632 C LYS A 109 -2.418 -9.216 -8.598 1.00 0.00 C ATOM 1633 O LYS A 109 -1.479 -9.941 -8.864 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.941 -6.949 -7.562 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.387 -6.785 -8.985 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.812 -5.375 -9.138 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.809 -4.981 -10.616 1.00 0.00 C ATOM 1638 NZ LYS A 109 -2.157 -4.471 -10.997 1.00 0.00 N ATOM 0 H LYS A 109 -0.453 -8.756 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.406 -8.384 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.780 -6.269 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.175 -6.669 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.614 -7.529 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.177 -6.951 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.406 -4.665 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.202 -5.339 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.054 -4.216 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.546 -5.841 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.329 -4.662 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.883 -4.948 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.201 -3.446 -10.827 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.454 -9.062 -9.402 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.622 -8.191 -9.121 1.00 0.00 C ATOM 1654 C PRO A 110 -5.532 -8.827 -8.062 1.00 0.00 C ATOM 1655 O PRO A 110 -5.924 -9.971 -8.181 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.385 -8.131 -10.452 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.629 -9.020 -11.470 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.501 -9.733 -10.711 1.00 0.00 C ATOM 0 HA PRO A 110 -4.314 -7.214 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.408 -8.484 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.445 -7.104 -10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.305 -9.746 -11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.223 -8.415 -12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.707 -10.798 -10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.551 -9.643 -11.237 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.880 -8.094 -7.034 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.774 -8.667 -5.985 1.00 0.00 C ATOM 1668 C PHE A 111 -8.211 -8.250 -6.255 1.00 0.00 C ATOM 1669 O PHE A 111 -8.477 -7.302 -6.967 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.394 -8.139 -4.593 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.980 -6.691 -4.684 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.928 -5.702 -4.981 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.643 -6.341 -4.488 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.529 -4.366 -5.085 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.245 -5.006 -4.598 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.187 -4.019 -4.900 1.00 0.00 C ATOM 0 H PHE A 111 -5.585 -7.130 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.667 -9.751 -6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.240 -8.242 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.579 -8.733 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.963 -5.971 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.915 -7.103 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.258 -3.601 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.210 -4.737 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.879 -2.988 -4.991 1.00 0.00 H new ATOM 1686 N THR A 112 -9.130 -8.922 -5.636 1.00 0.00 N ATOM 1687 CA THR A 112 -10.556 -8.549 -5.778 1.00 0.00 C ATOM 1688 C THR A 112 -10.908 -7.741 -4.536 1.00 0.00 C ATOM 1689 O THR A 112 -10.362 -7.972 -3.477 1.00 0.00 O ATOM 1690 CB THR A 112 -11.425 -9.807 -5.842 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.649 -10.893 -6.329 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.611 -9.564 -6.777 1.00 0.00 C ATOM 0 H THR A 112 -8.952 -9.723 -5.030 1.00 0.00 H new ATOM 0 HA THR A 112 -10.728 -7.979 -6.691 1.00 0.00 H new ATOM 0 HB THR A 112 -11.795 -10.044 -4.845 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.204 -11.700 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.229 -10.461 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.206 -8.732 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.244 -9.326 -7.776 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.783 -6.787 -4.639 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.114 -5.982 -3.433 1.00 0.00 C ATOM 1702 C ALA A 113 -12.398 -6.923 -2.270 1.00 0.00 C ATOM 1703 O ALA A 113 -12.301 -6.551 -1.117 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.338 -5.107 -3.708 1.00 0.00 C ATOM 0 H ALA A 113 -12.279 -6.530 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.273 -5.336 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.573 -4.521 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.126 -4.436 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.188 -5.740 -3.961 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.721 -8.150 -2.558 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.976 -9.113 -1.460 1.00 0.00 C ATOM 1712 C ALA A 114 -11.634 -9.651 -0.981 1.00 0.00 C ATOM 1713 O ALA A 114 -11.441 -9.918 0.188 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.851 -10.263 -1.964 1.00 0.00 C ATOM 0 H ALA A 114 -12.819 -8.525 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.498 -8.619 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.033 -10.965 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.802 -9.867 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.342 -10.777 -2.780 1.00 0.00 H new ATOM 1720 N THR A 115 -10.694 -9.793 -1.875 1.00 0.00 N ATOM 1721 CA THR A 115 -9.362 -10.290 -1.457 1.00 0.00 C ATOM 1722 C THR A 115 -8.618 -9.153 -0.749 1.00 0.00 C ATOM 1723 O THR A 115 -8.256 -9.288 0.403 1.00 0.00 O ATOM 1724 CB THR A 115 -8.575 -10.783 -2.671 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.417 -10.760 -3.814 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.098 -12.214 -2.421 1.00 0.00 C ATOM 0 H THR A 115 -10.794 -9.587 -2.869 1.00 0.00 H new ATOM 0 HA THR A 115 -9.475 -11.131 -0.773 1.00 0.00 H new ATOM 0 HB THR A 115 -7.713 -10.136 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.142 -11.464 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.537 -12.567 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.457 -12.235 -1.539 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.960 -12.862 -2.259 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.396 -8.017 -1.387 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.698 -6.930 -0.650 1.00 0.00 C ATOM 1736 C LEU A 116 -8.443 -6.700 0.672 1.00 0.00 C ATOM 1737 O LEU A 116 -7.843 -6.469 1.703 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.713 -5.626 -1.470 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.309 -4.989 -1.555 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.441 -3.543 -2.024 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.614 -4.975 -0.193 1.00 0.00 C ATOM 0 H LEU A 116 -8.661 -7.810 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.661 -7.215 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.080 -5.832 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.407 -4.918 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.718 -5.583 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.452 -3.089 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.912 -3.521 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.053 -2.985 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.629 -4.520 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.211 -4.399 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.506 -5.997 0.171 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.755 -6.767 0.652 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.527 -6.554 1.904 1.00 0.00 C ATOM 1755 C GLU A 117 -10.075 -7.552 2.970 1.00 0.00 C ATOM 1756 O GLU A 117 -9.661 -7.179 4.050 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.018 -6.752 1.625 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.758 -6.979 2.944 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.239 -6.643 2.765 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.903 -7.351 2.026 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.685 -5.685 3.373 1.00 0.00 O ATOM 0 H GLU A 117 -10.316 -6.960 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.352 -5.540 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.423 -5.878 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.165 -7.605 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.646 -8.015 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.325 -6.357 3.727 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.160 -8.819 2.675 1.00 0.00 N ATOM 1769 CA GLU A 118 -9.744 -9.852 3.667 1.00 0.00 C ATOM 1770 C GLU A 118 -8.403 -9.455 4.287 1.00 0.00 C ATOM 1771 O GLU A 118 -8.180 -9.624 5.469 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.602 -11.206 2.968 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.559 -12.215 3.608 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.381 -13.583 2.947 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.245 -13.970 2.729 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.385 -14.221 2.671 1.00 0.00 O ATOM 0 H GLU A 118 -10.501 -9.186 1.786 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.499 -9.926 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.822 -11.103 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.575 -11.562 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.363 -12.289 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.589 -11.877 3.495 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.512 -8.922 3.498 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.189 -8.510 4.041 1.00 0.00 C ATOM 1785 C LYS A 119 -6.361 -7.255 4.899 1.00 0.00 C ATOM 1786 O LYS A 119 -5.620 -7.021 5.833 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.236 -8.209 2.883 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.135 -9.271 2.836 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.764 -10.649 2.620 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.068 -11.351 1.453 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.532 -12.764 1.377 1.00 0.00 N ATOM 0 H LYS A 119 -7.644 -8.754 2.501 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.778 -9.314 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.784 -8.197 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.796 -7.220 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.435 -9.049 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.565 -9.261 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.672 -11.248 3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.829 -10.546 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.289 -10.834 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.987 -11.319 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.059 -13.242 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.300 -13.254 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.561 -12.784 1.230 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.336 -6.443 4.588 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.553 -5.202 5.385 1.00 0.00 C ATOM 1807 C LEU A 120 -8.153 -5.565 6.741 1.00 0.00 C ATOM 1808 O LEU A 120 -7.741 -5.066 7.766 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.524 -4.278 4.640 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.293 -2.819 5.053 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.492 -2.106 3.964 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.641 -2.117 5.224 1.00 0.00 C ATOM 0 H LEU A 120 -7.990 -6.585 3.818 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.599 -4.695 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.385 -4.385 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.552 -4.567 4.859 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.744 -2.791 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.326 -1.069 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.531 -2.604 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.046 -2.136 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.477 -1.080 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.188 -2.145 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.220 -2.625 5.995 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.134 -6.424 6.752 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.771 -6.815 8.041 1.00 0.00 C ATOM 1826 C ASN A 121 -8.718 -7.390 8.989 1.00 0.00 C ATOM 1827 O ASN A 121 -8.678 -7.067 10.159 1.00 0.00 O ATOM 1828 CB ASN A 121 -10.849 -7.868 7.776 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.211 -7.184 7.647 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.818 -7.209 6.595 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.720 -6.570 8.679 1.00 0.00 N ATOM 0 H ASN A 121 -9.523 -6.873 5.923 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.223 -5.935 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -10.619 -8.418 6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.871 -8.594 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.628 -6.111 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.210 -6.549 9.562 1.00 0.00 H new ATOM 1838 N LYS A 122 -7.868 -8.244 8.495 1.00 0.00 N ATOM 1839 CA LYS A 122 -6.819 -8.847 9.367 1.00 0.00 C ATOM 1840 C LYS A 122 -5.915 -7.746 9.924 1.00 0.00 C ATOM 1841 O LYS A 122 -5.608 -7.713 11.099 1.00 0.00 O ATOM 1842 CB LYS A 122 -5.981 -9.830 8.547 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.364 -11.264 8.921 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.579 -12.244 8.049 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.430 -12.655 6.845 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.462 -13.638 7.278 1.00 0.00 N ATOM 0 H LYS A 122 -7.853 -8.552 7.523 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.295 -9.374 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.145 -9.664 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.920 -9.665 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.151 -11.446 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.435 -11.414 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.651 -11.783 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.304 -13.124 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.908 -11.778 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.798 -13.092 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.820 -14.154 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.040 -14.311 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.248 -13.136 7.739 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.486 -6.847 9.086 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.598 -5.744 9.557 1.00 0.00 C ATOM 1862 C ILE A 123 -5.395 -4.796 10.453 1.00 0.00 C ATOM 1863 O ILE A 123 -4.874 -4.225 11.390 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.072 -4.980 8.337 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.146 -5.895 7.532 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.294 -3.731 8.776 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.852 -5.265 6.169 1.00 0.00 C ATOM 0 H ILE A 123 -5.711 -6.826 8.091 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.763 -6.154 10.125 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.918 -4.668 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.216 -6.056 8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.611 -6.872 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.929 -3.202 7.896 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.951 -3.075 9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.449 -4.028 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.192 -5.920 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.785 -5.127 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.368 -4.299 6.312 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.647 -4.610 10.160 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.470 -3.683 10.978 1.00 0.00 C ATOM 1881 C PHE A 124 -8.087 -4.435 12.153 1.00 0.00 C ATOM 1882 O PHE A 124 -8.669 -3.843 13.040 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.563 -3.078 10.100 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.028 -1.869 9.357 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.660 -1.747 9.026 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.916 -0.856 9.002 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.210 -0.612 8.346 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.460 0.273 8.321 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.114 0.393 7.995 1.00 0.00 C ATOM 0 H PHE A 124 -7.138 -5.061 9.388 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.842 -2.884 11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -8.922 -3.822 9.389 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.415 -2.788 10.715 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.965 -2.528 9.297 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.962 -0.945 9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.165 -0.512 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.153 1.054 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.765 1.268 7.467 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.943 -5.729 12.192 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.500 -6.486 13.342 1.00 0.00 C ATOM 1901 C GLU A 125 -7.636 -6.171 14.558 1.00 0.00 C ATOM 1902 O GLU A 125 -8.091 -6.173 15.684 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.461 -7.987 13.048 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.874 -8.485 12.735 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.819 -9.962 12.341 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.737 -10.524 12.378 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.860 -10.505 12.010 1.00 0.00 O ATOM 0 H GLU A 125 -7.468 -6.290 11.484 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.537 -6.202 13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.799 -8.186 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.056 -8.525 13.905 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.518 -8.353 13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.307 -7.898 11.925 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.389 -5.868 14.322 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.476 -5.515 15.439 1.00 0.00 C ATOM 1916 C LYS A 126 -5.473 -3.994 15.584 1.00 0.00 C ATOM 1917 O LYS A 126 -5.209 -3.457 16.642 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.060 -6.002 15.120 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.078 -7.514 14.886 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.769 -7.941 14.217 1.00 0.00 C ATOM 1921 CE LYS A 126 -2.250 -9.220 14.878 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.977 -9.635 14.224 1.00 0.00 N ATOM 0 H LYS A 126 -5.963 -5.851 13.395 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.810 -5.985 16.364 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.680 -5.491 14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.387 -5.759 15.942 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.203 -8.038 15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.926 -7.786 14.257 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.931 -8.109 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.027 -7.147 14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.087 -9.052 15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.992 -10.014 14.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.624 -10.504 14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.147 -9.812 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.270 -8.879 14.329 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.776 -3.298 14.519 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.807 -1.811 14.579 1.00 0.00 C ATOM 1938 C LEU A 127 -7.176 -1.364 15.100 1.00 0.00 C ATOM 1939 O LEU A 127 -7.327 -0.277 15.622 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.574 -1.232 13.175 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.718 0.034 13.275 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.469 0.593 11.872 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.450 1.083 14.115 1.00 0.00 C ATOM 0 H LEU A 127 -6.004 -3.699 13.609 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.023 -1.452 15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.077 -1.970 12.545 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.529 -1.001 12.703 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.766 -0.210 13.746 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.860 1.494 11.942 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.947 -0.152 11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.422 0.835 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.840 1.983 14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.403 1.326 13.644 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.630 0.688 15.115 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.174 -2.200 14.970 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.532 -1.828 15.462 1.00 0.00 C ATOM 1957 C GLY A 128 -9.867 -0.399 15.027 1.00 0.00 C ATOM 1958 O GLY A 128 -9.759 0.534 15.797 1.00 0.00 O ATOM 0 H GLY A 128 -8.106 -3.124 14.544 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.275 -2.522 15.067 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.569 -1.905 16.549 1.00 0.00 H new ATOM 1962 N MET A 129 -10.272 -0.221 13.799 1.00 0.00 N ATOM 1963 CA MET A 129 -10.614 1.148 13.320 1.00 0.00 C ATOM 1964 C MET A 129 -12.108 1.402 13.527 1.00 0.00 C ATOM 1965 O MET A 129 -12.444 2.127 14.451 1.00 0.00 O ATOM 1966 CB MET A 129 -10.277 1.266 11.833 1.00 0.00 C ATOM 1967 CG MET A 129 -8.925 1.961 11.668 1.00 0.00 C ATOM 1968 SD MET A 129 -9.076 3.699 12.148 1.00 0.00 S ATOM 1969 CE MET A 129 -7.697 3.732 13.319 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.892 0.868 12.760 1.00 0.00 O ATOM 0 H MET A 129 -10.381 -0.963 13.108 1.00 0.00 H new ATOM 0 HA MET A 129 -10.040 1.884 13.882 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.247 0.277 11.377 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.053 1.831 11.317 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.173 1.467 12.283 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.590 1.886 10.634 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.605 4.731 13.745 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.880 3.013 14.117 1.00 0.00 H new ATOM 0 HE3 MET A 129 -6.774 3.472 12.801 1.00 0.00 H new TER 1980 MET A 129