USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 952 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 82 CYS SG : rot -3:sc= 0.709 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.965! C(o=-0.26!,f=-1.8!) USER MOD Set 2.1: A 78 SER OG : rot -93:sc= 1.58 USER MOD Set 2.2: A 80 CYS SG : rot 93:sc= 0.354 USER MOD Set 3.1: A 5 MET CE :methyl 178:sc= -0.389 (180deg=-0.273) USER MOD Set 3.2: A 35 CYS SG : rot -90:sc= -0.416 USER MOD Set 3.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 34 SER OG : rot -95:sc= 2.22 USER MOD Set 4.2: A 61 THR OG1 : rot -172:sc= 1.18 USER MOD Set 5.1: A 23 LYS NZ :NH3+ -175:sc= 2.35 (180deg=1.05) USER MOD Set 5.2: A 60 GLN : amide:sc= 0.865 K(o=3.2,f=-10!) USER MOD Set 6.1: A 8 CYS SG : rot -141:sc= 1.58 USER MOD Set 6.2: A 15 SER OG : rot -80:sc= 0.106 USER MOD Set 7.1: A 11 ASN : amide:sc= -1.39 K(o=-3.1,f=-7.2!) USER MOD Set 7.2: A 13 CYS SG : rot -165:sc= -0.212 USER MOD Set 7.3: A 43 HIS : no HD1:sc= -1.7 X(o=-3.1,f=-3.3) USER MOD Set 7.4: A 45 THR OG1 : rot 114:sc= 0.169 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0503) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0984 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.1) USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.18) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.122 USER MOD Single : A 16 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.9) USER MOD Single : A 17 MET CE :methyl -179:sc= -2.79 (180deg=-2.83) USER MOD Single : A 24 THR OG1 : rot 104:sc= 0.00292 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0369 USER MOD Single : A 49 MET CE :methyl 168:sc= -1.29 (180deg=-1.81) USER MOD Single : A 50 MET CE :methyl 145:sc= -0.193 (180deg=-0.792) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 62 SER OG : rot 7:sc= 1.06 USER MOD Single : A 67 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.2!) USER MOD Single : A 69 ASN : amide:sc= 0.936 K(o=0.94,f=-0.028) USER MOD Single : A 85 ASN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 93 GLN : amide:sc= 0.402 K(o=0.4,f=-2.2) USER MOD Single : A 107 GLN : amide:sc= 0.368 X(o=0.37,f=-0.072) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 114 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 120 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.22) USER MOD Single : A 125 ASN : amide:sc= 1.53 K(o=1.5,f=-0.00037) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.981 -1.479 2.748 1.00 0.00 N ATOM 2 CA MET A 1 1.675 -0.618 1.740 1.00 0.00 C ATOM 3 C MET A 1 2.946 -1.335 1.231 1.00 0.00 C ATOM 4 O MET A 1 3.439 -2.212 1.933 1.00 0.00 O ATOM 5 CB MET A 1 1.976 0.786 2.342 1.00 0.00 C ATOM 6 CG MET A 1 2.045 1.915 1.298 1.00 0.00 C ATOM 7 SD MET A 1 0.516 2.168 0.345 1.00 0.00 S ATOM 8 CE MET A 1 0.944 3.672 -0.575 1.00 0.00 C ATOM 0 H1 MET A 1 0.068 -1.796 2.364 1.00 0.00 H new ATOM 0 H2 MET A 1 1.572 -2.307 2.963 1.00 0.00 H new ATOM 0 H3 MET A 1 0.820 -0.933 3.618 1.00 0.00 H new ATOM 0 HA MET A 1 1.025 -0.456 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.205 1.029 3.074 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.924 0.744 2.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.298 2.846 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.858 1.700 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.082 4.001 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.231 4.457 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.776 3.463 -1.247 1.00 0.00 H new ATOM 18 N LYS A 2 3.485 -1.001 0.039 1.00 0.00 N ATOM 19 CA LYS A 2 4.610 -1.728 -0.597 1.00 0.00 C ATOM 20 C LYS A 2 5.753 -1.889 0.390 1.00 0.00 C ATOM 21 O LYS A 2 6.276 -0.877 0.842 1.00 0.00 O ATOM 22 CB LYS A 2 5.148 -1.040 -1.878 1.00 0.00 C ATOM 23 CG LYS A 2 4.095 -0.677 -2.935 1.00 0.00 C ATOM 24 CD LYS A 2 3.461 0.731 -2.778 1.00 0.00 C ATOM 25 CE LYS A 2 4.346 1.911 -3.253 1.00 0.00 C ATOM 26 NZ LYS A 2 3.911 2.421 -4.585 1.00 0.00 N ATOM 0 H LYS A 2 3.150 -0.213 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 2 4.211 -2.698 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.671 -0.129 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.886 -1.698 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.555 -0.743 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.300 -1.422 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.524 0.754 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.212 0.885 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.301 2.718 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.386 1.588 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.700 2.924 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.619 1.622 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.110 3.072 -4.462 1.00 0.00 H new ATOM 40 N LYS A 3 6.110 -3.109 0.777 1.00 0.00 N ATOM 41 CA LYS A 3 7.063 -3.305 1.865 1.00 0.00 C ATOM 42 C LYS A 3 8.451 -3.399 1.281 1.00 0.00 C ATOM 43 O LYS A 3 8.633 -4.053 0.256 1.00 0.00 O ATOM 44 CB LYS A 3 6.742 -4.538 2.720 1.00 0.00 C ATOM 45 CG LYS A 3 5.250 -4.750 3.020 1.00 0.00 C ATOM 46 CD LYS A 3 4.956 -5.999 3.866 1.00 0.00 C ATOM 47 CE LYS A 3 5.743 -6.055 5.185 1.00 0.00 C ATOM 48 NZ LYS A 3 5.200 -7.083 6.113 1.00 0.00 N ATOM 0 H LYS A 3 5.758 -3.970 0.358 1.00 0.00 H new ATOM 0 HA LYS A 3 6.995 -2.450 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.124 -5.423 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.279 -4.456 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.866 -3.872 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.707 -4.825 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.889 -6.033 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.187 -6.887 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.790 -6.274 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.712 -5.078 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.965 -7.442 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.459 -6.658 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.796 -7.868 5.563 1.00 0.00 H new ATOM 62 N VAL A 4 9.412 -2.828 1.985 1.00 0.00 N ATOM 63 CA VAL A 4 10.824 -2.976 1.699 1.00 0.00 C ATOM 64 C VAL A 4 11.442 -3.785 2.829 1.00 0.00 C ATOM 65 O VAL A 4 10.951 -3.739 3.960 1.00 0.00 O ATOM 66 CB VAL A 4 11.531 -1.625 1.581 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.966 -1.852 1.073 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.797 -0.650 0.644 1.00 0.00 C ATOM 0 H VAL A 4 9.225 -2.233 2.792 1.00 0.00 H new ATOM 0 HA VAL A 4 10.942 -3.480 0.740 1.00 0.00 H new ATOM 0 HB VAL A 4 11.539 -1.169 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.477 -0.893 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.504 -2.488 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.934 -2.336 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.344 0.292 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.735 -1.082 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.792 -0.468 1.024 1.00 0.00 H new ATOM 78 N MET A 5 12.544 -4.470 2.537 1.00 0.00 N ATOM 79 CA MET A 5 13.290 -5.243 3.505 1.00 0.00 C ATOM 80 C MET A 5 14.759 -4.999 3.229 1.00 0.00 C ATOM 81 O MET A 5 15.172 -5.116 2.072 1.00 0.00 O ATOM 82 CB MET A 5 12.940 -6.714 3.308 1.00 0.00 C ATOM 83 CG MET A 5 13.573 -7.650 4.340 1.00 0.00 C ATOM 84 SD MET A 5 13.253 -7.215 6.072 1.00 0.00 S ATOM 85 CE MET A 5 12.501 -8.755 6.663 1.00 0.00 C ATOM 0 H MET A 5 12.945 -4.499 1.600 1.00 0.00 H new ATOM 0 HA MET A 5 13.055 -4.961 4.531 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.857 -6.827 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.257 -7.022 2.312 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.208 -8.662 4.162 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.651 -7.667 4.179 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.277 -8.666 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.580 -8.945 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.194 -9.582 6.507 1.00 0.00 H new ATOM 95 N PHE A 6 15.531 -4.698 4.271 1.00 0.00 N ATOM 96 CA PHE A 6 16.963 -4.461 4.163 1.00 0.00 C ATOM 97 C PHE A 6 17.666 -5.597 4.914 1.00 0.00 C ATOM 98 O PHE A 6 17.289 -5.856 6.056 1.00 0.00 O ATOM 99 CB PHE A 6 17.329 -3.087 4.732 1.00 0.00 C ATOM 100 CG PHE A 6 16.620 -1.961 4.020 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.366 -1.555 4.488 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.141 -1.402 2.840 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.605 -0.642 3.757 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.404 -0.427 2.144 1.00 0.00 C ATOM 105 CZ PHE A 6 15.137 -0.030 2.610 1.00 0.00 C ATOM 0 H PHE A 6 15.173 -4.612 5.222 1.00 0.00 H new ATOM 0 HA PHE A 6 17.282 -4.453 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 6 17.078 -3.058 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.406 -2.940 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.985 -1.950 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.104 -1.720 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.601 -0.404 4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.812 0.019 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.580 0.736 2.092 1.00 0.00 H new ATOM 115 N VAL A 7 18.687 -6.253 4.360 1.00 0.00 N ATOM 116 CA VAL A 7 19.235 -7.488 4.949 1.00 0.00 C ATOM 117 C VAL A 7 20.730 -7.321 5.228 1.00 0.00 C ATOM 118 O VAL A 7 21.505 -7.200 4.285 1.00 0.00 O ATOM 119 CB VAL A 7 18.979 -8.690 4.010 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.213 -10.013 4.748 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.577 -8.685 3.370 1.00 0.00 C ATOM 0 H VAL A 7 19.155 -5.954 3.504 1.00 0.00 H new ATOM 0 HA VAL A 7 18.730 -7.683 5.895 1.00 0.00 H new ATOM 0 HB VAL A 7 19.695 -8.590 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.028 -10.846 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.243 -10.055 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.535 -10.080 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.469 -9.557 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.819 -8.717 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.450 -7.778 2.779 1.00 0.00 H new ATOM 131 N CYS A 8 21.157 -7.286 6.493 1.00 0.00 N ATOM 132 CA CYS A 8 22.573 -7.129 6.827 1.00 0.00 C ATOM 133 C CYS A 8 23.337 -8.460 6.823 1.00 0.00 C ATOM 134 O CYS A 8 22.771 -9.553 6.793 1.00 0.00 O ATOM 135 CB CYS A 8 22.763 -6.473 8.217 1.00 0.00 C ATOM 136 SG CYS A 8 23.593 -4.874 8.041 1.00 0.00 S ATOM 0 H CYS A 8 20.541 -7.364 7.302 1.00 0.00 H new ATOM 0 HA CYS A 8 22.979 -6.485 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.795 -6.338 8.700 1.00 0.00 H new ATOM 0 HB3 CYS A 8 23.351 -7.128 8.860 1.00 0.00 H new ATOM 0 HG CYS A 8 24.432 -4.711 9.020 1.00 0.00 H new ATOM 142 N LYS A 9 24.656 -8.293 6.933 1.00 0.00 N ATOM 143 CA LYS A 9 25.726 -9.255 7.199 1.00 0.00 C ATOM 144 C LYS A 9 26.736 -8.393 7.964 1.00 0.00 C ATOM 145 O LYS A 9 26.843 -7.199 7.661 1.00 0.00 O ATOM 146 CB LYS A 9 26.330 -9.853 5.910 1.00 0.00 C ATOM 147 CG LYS A 9 25.448 -10.908 5.223 1.00 0.00 C ATOM 148 CD LYS A 9 25.124 -12.128 6.107 1.00 0.00 C ATOM 149 CE LYS A 9 24.459 -13.276 5.321 1.00 0.00 C ATOM 150 NZ LYS A 9 25.438 -14.106 4.560 1.00 0.00 N ATOM 0 H LYS A 9 25.048 -7.358 6.823 1.00 0.00 H new ATOM 0 HA LYS A 9 25.389 -10.135 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.523 -9.044 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.293 -10.303 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.514 -10.439 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.949 -11.251 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.043 -12.493 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.464 -11.819 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.912 -13.914 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.729 -12.859 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.933 -14.860 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.943 -13.507 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.121 -14.530 5.220 1.00 0.00 H new ATOM 164 N ARG A 10 27.511 -8.951 8.895 1.00 0.00 N ATOM 165 CA ARG A 10 28.314 -8.152 9.839 1.00 0.00 C ATOM 166 C ARG A 10 27.354 -7.220 10.608 1.00 0.00 C ATOM 167 O ARG A 10 26.163 -7.530 10.698 1.00 0.00 O ATOM 168 CB ARG A 10 29.552 -7.529 9.142 1.00 0.00 C ATOM 169 CG ARG A 10 30.554 -6.832 10.089 1.00 0.00 C ATOM 170 CD ARG A 10 32.015 -6.923 9.640 1.00 0.00 C ATOM 171 NE ARG A 10 32.529 -8.307 9.662 1.00 0.00 N ATOM 172 CZ ARG A 10 33.016 -8.974 10.719 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.109 -8.400 11.914 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.412 -10.237 10.569 1.00 0.00 N ATOM 0 H ARG A 10 27.604 -9.959 9.021 1.00 0.00 H new ATOM 0 HA ARG A 10 28.794 -8.756 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.076 -8.314 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.208 -6.804 8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.279 -5.781 10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.463 -7.272 11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.107 -6.521 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.631 -6.300 10.289 1.00 0.00 H new ATOM 0 HE ARG A 10 32.512 -8.812 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.807 -7.434 12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.482 -8.925 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.343 -10.688 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.784 -10.753 11.366 1.00 0.00 H new ATOM 188 N ASN A 11 27.845 -6.143 11.222 1.00 0.00 N ATOM 189 CA ASN A 11 27.066 -5.340 12.156 1.00 0.00 C ATOM 190 C ASN A 11 25.763 -4.830 11.537 1.00 0.00 C ATOM 191 O ASN A 11 25.747 -4.302 10.422 1.00 0.00 O ATOM 192 CB ASN A 11 27.917 -4.207 12.750 1.00 0.00 C ATOM 193 CG ASN A 11 27.378 -3.719 14.100 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.237 -3.974 14.473 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.198 -3.016 14.863 1.00 0.00 N ATOM 0 H ASN A 11 28.797 -5.805 11.083 1.00 0.00 H new ATOM 0 HA ASN A 11 26.770 -5.990 12.980 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.943 -4.554 12.875 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.946 -3.372 12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.885 -2.679 15.773 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.144 -2.811 14.541 1.00 0.00 H new ATOM 202 N SER A 12 24.686 -4.972 12.297 1.00 0.00 N ATOM 203 CA SER A 12 23.292 -4.635 12.030 1.00 0.00 C ATOM 204 C SER A 12 23.059 -3.229 11.462 1.00 0.00 C ATOM 205 O SER A 12 22.060 -2.992 10.784 1.00 0.00 O ATOM 206 CB SER A 12 22.598 -4.779 13.393 1.00 0.00 C ATOM 207 OG SER A 12 23.017 -5.990 14.003 1.00 0.00 O ATOM 0 H SER A 12 24.780 -5.375 13.229 1.00 0.00 H new ATOM 0 HA SER A 12 22.901 -5.292 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.845 -3.931 14.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.515 -4.777 13.266 1.00 0.00 H new ATOM 0 HG SER A 12 22.578 -6.086 14.874 1.00 0.00 H new ATOM 213 N CYS A 13 23.980 -2.302 11.732 1.00 0.00 N ATOM 214 CA CYS A 13 23.851 -0.875 11.473 1.00 0.00 C ATOM 215 C CYS A 13 23.404 -0.536 10.049 1.00 0.00 C ATOM 216 O CYS A 13 22.475 0.241 9.885 1.00 0.00 O ATOM 217 CB CYS A 13 25.208 -0.196 11.756 1.00 0.00 C ATOM 218 SG CYS A 13 25.974 -0.856 13.263 1.00 0.00 S ATOM 0 H CYS A 13 24.876 -2.541 12.157 1.00 0.00 H new ATOM 0 HA CYS A 13 23.067 -0.505 12.134 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.877 -0.348 10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.064 0.880 11.860 1.00 0.00 H new ATOM 0 HG CYS A 13 26.932 -0.065 13.645 1.00 0.00 H new ATOM 224 N ARG A 14 24.035 -1.102 9.017 1.00 0.00 N ATOM 225 CA ARG A 14 23.808 -0.618 7.641 1.00 0.00 C ATOM 226 C ARG A 14 22.413 -0.949 7.108 1.00 0.00 C ATOM 227 O ARG A 14 21.783 -0.062 6.540 1.00 0.00 O ATOM 228 CB ARG A 14 24.986 -0.958 6.685 1.00 0.00 C ATOM 229 CG ARG A 14 25.411 -2.436 6.614 1.00 0.00 C ATOM 230 CD ARG A 14 26.642 -2.719 5.734 1.00 0.00 C ATOM 231 NE ARG A 14 27.101 -4.114 5.932 1.00 0.00 N ATOM 232 CZ ARG A 14 28.097 -4.736 5.286 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.771 -4.138 4.314 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.426 -5.976 5.629 1.00 0.00 N ATOM 0 H ARG A 14 24.693 -1.877 9.097 1.00 0.00 H new ATOM 0 HA ARG A 14 23.809 0.471 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.715 -0.633 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.852 -0.369 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.618 -2.788 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.572 -3.022 6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.394 -2.555 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.445 -2.025 5.984 1.00 0.00 H new ATOM 0 HE ARG A 14 26.605 -4.660 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.536 -3.183 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.525 -4.632 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.922 -6.448 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.183 -6.456 5.142 1.00 0.00 H new ATOM 248 N SER A 15 21.870 -2.145 7.330 1.00 0.00 N ATOM 249 CA SER A 15 20.545 -2.454 6.816 1.00 0.00 C ATOM 250 C SER A 15 19.481 -1.823 7.700 1.00 0.00 C ATOM 251 O SER A 15 18.499 -1.293 7.190 1.00 0.00 O ATOM 252 CB SER A 15 20.389 -3.959 6.755 1.00 0.00 C ATOM 253 OG SER A 15 20.511 -4.444 8.076 1.00 0.00 O ATOM 0 H SER A 15 22.318 -2.898 7.851 1.00 0.00 H new ATOM 0 HA SER A 15 20.424 -2.043 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.421 -4.229 6.334 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.151 -4.399 6.111 1.00 0.00 H new ATOM 0 HG SER A 15 21.459 -4.496 8.319 1.00 0.00 H new ATOM 259 N GLN A 16 19.664 -1.832 9.022 1.00 0.00 N ATOM 260 CA GLN A 16 18.669 -1.261 9.917 1.00 0.00 C ATOM 261 C GLN A 16 18.663 0.270 9.788 1.00 0.00 C ATOM 262 O GLN A 16 17.626 0.901 9.971 1.00 0.00 O ATOM 263 CB GLN A 16 18.863 -1.831 11.332 1.00 0.00 C ATOM 264 CG GLN A 16 19.714 -0.957 12.257 1.00 0.00 C ATOM 265 CD GLN A 16 19.863 -1.553 13.652 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.811 -2.273 13.938 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.948 -1.255 14.567 1.00 0.00 N ATOM 0 H GLN A 16 20.483 -2.224 9.487 1.00 0.00 H new ATOM 0 HA GLN A 16 17.657 -1.554 9.639 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.884 -1.976 11.789 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.327 -2.814 11.254 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.702 -0.822 11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.262 0.032 12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.160 -0.655 14.324 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.033 -1.626 15.513 1.00 0.00 H new ATOM 276 N MET A 17 19.792 0.886 9.416 1.00 0.00 N ATOM 277 CA MET A 17 19.842 2.301 9.047 1.00 0.00 C ATOM 278 C MET A 17 19.066 2.517 7.764 1.00 0.00 C ATOM 279 O MET A 17 18.355 3.506 7.644 1.00 0.00 O ATOM 280 CB MET A 17 21.281 2.761 8.810 1.00 0.00 C ATOM 281 CG MET A 17 21.364 4.191 8.255 1.00 0.00 C ATOM 282 SD MET A 17 20.830 5.579 9.299 1.00 0.00 S ATOM 283 CE MET A 17 19.021 5.695 9.433 1.00 0.00 C ATOM 0 H MET A 17 20.695 0.415 9.363 1.00 0.00 H new ATOM 0 HA MET A 17 19.410 2.874 9.867 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.834 2.707 9.748 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.766 2.077 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.401 4.373 7.972 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.773 4.223 7.340 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.756 6.551 10.053 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.590 5.819 8.440 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.631 4.784 9.887 1.00 0.00 H new ATOM 293 N ALA A 18 19.209 1.617 6.795 1.00 0.00 N ATOM 294 CA ALA A 18 18.484 1.751 5.549 1.00 0.00 C ATOM 295 C ALA A 18 16.983 1.725 5.844 1.00 0.00 C ATOM 296 O ALA A 18 16.265 2.574 5.327 1.00 0.00 O ATOM 297 CB ALA A 18 18.989 0.683 4.576 1.00 0.00 C ATOM 0 H ALA A 18 19.815 0.798 6.853 1.00 0.00 H new ATOM 0 HA ALA A 18 18.662 2.706 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.453 0.769 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.056 0.824 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.818 -0.306 5.001 1.00 0.00 H new ATOM 303 N GLU A 19 16.533 0.892 6.788 1.00 0.00 N ATOM 304 CA GLU A 19 15.170 0.961 7.297 1.00 0.00 C ATOM 305 C GLU A 19 14.900 2.319 7.955 1.00 0.00 C ATOM 306 O GLU A 19 13.827 2.871 7.731 1.00 0.00 O ATOM 307 CB GLU A 19 14.879 -0.186 8.275 1.00 0.00 C ATOM 308 CG GLU A 19 13.533 -0.031 9.009 1.00 0.00 C ATOM 309 CD GLU A 19 13.224 -1.160 10.005 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.068 -2.070 10.175 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.139 -1.120 10.631 1.00 0.00 O ATOM 0 H GLU A 19 17.101 0.160 7.214 1.00 0.00 H new ATOM 0 HA GLU A 19 14.495 0.853 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.881 -1.130 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.682 -0.241 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.530 0.920 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.733 0.016 8.271 1.00 0.00 H new ATOM 318 N GLY A 20 15.814 2.884 8.754 1.00 0.00 N ATOM 319 CA GLY A 20 15.554 4.119 9.477 1.00 0.00 C ATOM 320 C GLY A 20 15.391 5.301 8.535 1.00 0.00 C ATOM 321 O GLY A 20 14.438 6.058 8.661 1.00 0.00 O ATOM 0 H GLY A 20 16.744 2.496 8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.651 4.006 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.374 4.315 10.168 1.00 0.00 H new ATOM 325 N PHE A 21 16.267 5.430 7.536 1.00 0.00 N ATOM 326 CA PHE A 21 16.103 6.442 6.500 1.00 0.00 C ATOM 327 C PHE A 21 14.846 6.131 5.705 1.00 0.00 C ATOM 328 O PHE A 21 14.107 7.051 5.384 1.00 0.00 O ATOM 329 CB PHE A 21 17.325 6.512 5.571 1.00 0.00 C ATOM 330 CG PHE A 21 18.455 7.389 6.073 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.249 8.767 6.285 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.733 6.850 6.287 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.298 9.586 6.732 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.779 7.666 6.729 1.00 0.00 C ATOM 335 CZ PHE A 21 20.568 9.034 6.965 1.00 0.00 C ATOM 0 H PHE A 21 17.095 4.845 7.426 1.00 0.00 H new ATOM 0 HA PHE A 21 16.011 7.418 6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.707 5.502 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.003 6.880 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.275 9.197 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.910 5.799 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.128 10.640 6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.758 7.240 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.375 9.656 7.323 1.00 0.00 H new ATOM 345 N ALA A 22 14.565 4.868 5.384 1.00 0.00 N ATOM 346 CA ALA A 22 13.455 4.548 4.501 1.00 0.00 C ATOM 347 C ALA A 22 12.112 4.785 5.190 1.00 0.00 C ATOM 348 O ALA A 22 11.204 5.285 4.542 1.00 0.00 O ATOM 349 CB ALA A 22 13.616 3.125 3.954 1.00 0.00 C ATOM 0 H ALA A 22 15.088 4.060 5.721 1.00 0.00 H new ATOM 0 HA ALA A 22 13.468 5.223 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.781 2.892 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.550 3.053 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.632 2.416 4.782 1.00 0.00 H new ATOM 355 N LYS A 23 11.955 4.505 6.486 1.00 0.00 N ATOM 356 CA LYS A 23 10.700 4.773 7.197 1.00 0.00 C ATOM 357 C LYS A 23 10.452 6.275 7.372 1.00 0.00 C ATOM 358 O LYS A 23 9.310 6.696 7.489 1.00 0.00 O ATOM 359 CB LYS A 23 10.651 3.988 8.526 1.00 0.00 C ATOM 360 CG LYS A 23 11.419 4.644 9.689 1.00 0.00 C ATOM 361 CD LYS A 23 11.521 3.729 10.917 1.00 0.00 C ATOM 362 CE LYS A 23 12.097 4.514 12.108 1.00 0.00 C ATOM 363 NZ LYS A 23 12.405 3.626 13.254 1.00 0.00 N ATOM 0 H LYS A 23 12.684 4.091 7.067 1.00 0.00 H new ATOM 0 HA LYS A 23 9.874 4.412 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.609 3.864 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.056 2.990 8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.422 4.910 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.921 5.572 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.537 3.336 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.158 2.873 10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.003 5.034 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.383 5.277 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.711 4.200 14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.555 3.086 13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.166 2.968 12.989 1.00 0.00 H new ATOM 377 N THR A 24 11.520 7.067 7.361 1.00 0.00 N ATOM 378 CA THR A 24 11.541 8.520 7.407 1.00 0.00 C ATOM 379 C THR A 24 11.202 9.104 6.023 1.00 0.00 C ATOM 380 O THR A 24 10.328 9.962 5.895 1.00 0.00 O ATOM 381 CB THR A 24 12.958 8.867 7.923 1.00 0.00 C ATOM 382 OG1 THR A 24 12.978 8.798 9.341 1.00 0.00 O ATOM 383 CG2 THR A 24 13.597 10.173 7.464 1.00 0.00 C ATOM 0 H THR A 24 12.462 6.678 7.316 1.00 0.00 H new ATOM 0 HA THR A 24 10.790 8.957 8.065 1.00 0.00 H new ATOM 0 HB THR A 24 13.584 8.110 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.428 7.974 9.622 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.586 10.271 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.688 10.171 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.974 11.012 7.774 1.00 0.00 H new ATOM 391 N LEU A 25 11.875 8.624 4.977 1.00 0.00 N ATOM 392 CA LEU A 25 11.853 9.203 3.637 1.00 0.00 C ATOM 393 C LEU A 25 10.705 8.649 2.780 1.00 0.00 C ATOM 394 O LEU A 25 10.215 9.337 1.886 1.00 0.00 O ATOM 395 CB LEU A 25 13.193 8.911 2.940 1.00 0.00 C ATOM 396 CG LEU A 25 14.398 9.722 3.431 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.662 9.229 2.712 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.231 11.221 3.162 1.00 0.00 C ATOM 0 H LEU A 25 12.468 7.797 5.043 1.00 0.00 H new ATOM 0 HA LEU A 25 11.696 10.276 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.420 7.852 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.071 9.090 1.872 1.00 0.00 H new ATOM 0 HG LEU A 25 14.478 9.578 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.523 9.802 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.817 8.173 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.544 9.362 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.108 11.756 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.123 11.389 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.343 11.586 3.678 1.00 0.00 H new ATOM 410 N GLY A 26 10.277 7.416 3.058 1.00 0.00 N ATOM 411 CA GLY A 26 9.237 6.661 2.359 1.00 0.00 C ATOM 412 C GLY A 26 7.914 6.678 3.116 1.00 0.00 C ATOM 413 O GLY A 26 7.023 5.876 2.833 1.00 0.00 O ATOM 0 H GLY A 26 10.676 6.883 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.091 7.081 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.565 5.630 2.225 1.00 0.00 H new ATOM 417 N ALA A 27 7.803 7.544 4.121 1.00 0.00 N ATOM 418 CA ALA A 27 6.712 7.585 5.073 1.00 0.00 C ATOM 419 C ALA A 27 5.402 7.851 4.336 1.00 0.00 C ATOM 420 O ALA A 27 5.276 8.850 3.622 1.00 0.00 O ATOM 421 CB ALA A 27 7.005 8.668 6.121 1.00 0.00 C ATOM 0 H ALA A 27 8.504 8.264 4.295 1.00 0.00 H new ATOM 0 HA ALA A 27 6.616 6.629 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.189 8.706 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.935 8.432 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.099 9.635 5.628 1.00 0.00 H new ATOM 427 N GLY A 28 4.435 6.944 4.499 1.00 0.00 N ATOM 428 CA GLY A 28 3.119 7.063 3.878 1.00 0.00 C ATOM 429 C GLY A 28 3.095 6.661 2.406 1.00 0.00 C ATOM 430 O GLY A 28 2.083 6.870 1.736 1.00 0.00 O ATOM 0 H GLY A 28 4.546 6.105 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.411 6.442 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.776 8.094 3.969 1.00 0.00 H new ATOM 434 N LYS A 29 4.192 6.093 1.892 1.00 0.00 N ATOM 435 CA LYS A 29 4.363 5.724 0.501 1.00 0.00 C ATOM 436 C LYS A 29 4.728 4.257 0.426 1.00 0.00 C ATOM 437 O LYS A 29 4.190 3.542 -0.410 1.00 0.00 O ATOM 438 CB LYS A 29 5.464 6.576 -0.124 1.00 0.00 C ATOM 439 CG LYS A 29 5.125 8.071 -0.143 1.00 0.00 C ATOM 440 CD LYS A 29 3.987 8.442 -1.108 1.00 0.00 C ATOM 441 CE LYS A 29 3.799 9.968 -1.148 1.00 0.00 C ATOM 442 NZ LYS A 29 2.704 10.381 -2.067 1.00 0.00 N ATOM 0 H LYS A 29 5.009 5.874 2.462 1.00 0.00 H new ATOM 0 HA LYS A 29 3.437 5.895 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.391 6.426 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.644 6.237 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.850 8.383 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.018 8.632 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.212 8.070 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.061 7.963 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.583 10.331 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.731 10.438 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.617 11.417 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.921 10.059 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.808 9.956 -1.753 1.00 0.00 H new ATOM 456 N ILE A 30 5.605 3.799 1.318 1.00 0.00 N ATOM 457 CA ILE A 30 6.055 2.420 1.412 1.00 0.00 C ATOM 458 C ILE A 30 6.189 2.035 2.890 1.00 0.00 C ATOM 459 O ILE A 30 6.214 2.890 3.775 1.00 0.00 O ATOM 460 CB ILE A 30 7.326 2.211 0.543 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.507 3.188 0.740 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.908 2.323 -0.931 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.324 2.906 2.000 1.00 0.00 C ATOM 0 H ILE A 30 6.034 4.404 2.018 1.00 0.00 H new ATOM 0 HA ILE A 30 5.323 1.728 0.994 1.00 0.00 H new ATOM 0 HB ILE A 30 7.703 1.238 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.163 3.134 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.122 4.207 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.781 2.181 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.165 1.559 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.482 3.309 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.136 3.629 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.681 2.989 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.738 1.899 1.947 1.00 0.00 H new ATOM 475 N ALA A 31 6.227 0.729 3.134 1.00 0.00 N ATOM 476 CA ALA A 31 6.407 0.117 4.447 1.00 0.00 C ATOM 477 C ALA A 31 7.845 -0.376 4.502 1.00 0.00 C ATOM 478 O ALA A 31 8.436 -0.647 3.456 1.00 0.00 O ATOM 479 CB ALA A 31 5.408 -1.025 4.630 1.00 0.00 C ATOM 0 H ALA A 31 6.129 0.038 2.390 1.00 0.00 H new ATOM 0 HA ALA A 31 6.224 0.825 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.548 -1.477 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.393 -0.636 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.570 -1.777 3.858 1.00 0.00 H new ATOM 485 N VAL A 32 8.424 -0.518 5.689 1.00 0.00 N ATOM 486 CA VAL A 32 9.848 -0.740 5.816 1.00 0.00 C ATOM 487 C VAL A 32 10.159 -1.692 6.975 1.00 0.00 C ATOM 488 O VAL A 32 9.551 -1.578 8.043 1.00 0.00 O ATOM 489 CB VAL A 32 10.484 0.649 6.037 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.947 0.627 5.666 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.863 1.801 5.216 1.00 0.00 C ATOM 0 H VAL A 32 7.922 -0.482 6.576 1.00 0.00 H new ATOM 0 HA VAL A 32 10.254 -1.215 4.923 1.00 0.00 H new ATOM 0 HB VAL A 32 10.306 0.843 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.378 1.615 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.468 -0.103 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.052 0.353 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.382 2.732 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.961 1.583 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.808 1.902 5.471 1.00 0.00 H new ATOM 501 N THR A 33 11.113 -2.604 6.774 1.00 0.00 N ATOM 502 CA THR A 33 11.592 -3.561 7.775 1.00 0.00 C ATOM 503 C THR A 33 13.075 -3.873 7.476 1.00 0.00 C ATOM 504 O THR A 33 13.543 -3.584 6.374 1.00 0.00 O ATOM 505 CB THR A 33 10.723 -4.835 7.723 1.00 0.00 C ATOM 506 OG1 THR A 33 9.342 -4.562 7.503 1.00 0.00 O ATOM 507 CG2 THR A 33 10.824 -5.724 8.969 1.00 0.00 C ATOM 0 H THR A 33 11.590 -2.700 5.878 1.00 0.00 H new ATOM 0 HA THR A 33 11.515 -3.147 8.780 1.00 0.00 H new ATOM 0 HB THR A 33 11.141 -5.373 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.842 -5.404 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.181 -6.596 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.856 -6.049 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.506 -5.159 9.846 1.00 0.00 H new ATOM 515 N SER A 34 13.823 -4.490 8.393 1.00 0.00 N ATOM 516 CA SER A 34 15.176 -4.994 8.144 1.00 0.00 C ATOM 517 C SER A 34 15.374 -6.362 8.815 1.00 0.00 C ATOM 518 O SER A 34 14.527 -6.810 9.590 1.00 0.00 O ATOM 519 CB SER A 34 16.233 -3.951 8.547 1.00 0.00 C ATOM 520 OG SER A 34 16.105 -3.571 9.900 1.00 0.00 O ATOM 0 H SER A 34 13.500 -4.657 9.346 1.00 0.00 H new ATOM 0 HA SER A 34 15.309 -5.156 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.229 -4.359 8.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.136 -3.071 7.911 1.00 0.00 H new ATOM 0 HG SER A 34 15.560 -2.759 9.962 1.00 0.00 H new ATOM 526 N CYS A 35 16.474 -7.055 8.513 1.00 0.00 N ATOM 527 CA CYS A 35 16.831 -8.333 9.125 1.00 0.00 C ATOM 528 C CYS A 35 18.325 -8.593 8.921 1.00 0.00 C ATOM 529 O CYS A 35 19.028 -7.765 8.341 1.00 0.00 O ATOM 530 CB CYS A 35 15.943 -9.445 8.530 1.00 0.00 C ATOM 531 SG CYS A 35 16.075 -9.542 6.725 1.00 0.00 S ATOM 0 H CYS A 35 17.154 -6.736 7.823 1.00 0.00 H new ATOM 0 HA CYS A 35 16.652 -8.314 10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.226 -10.404 8.964 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.904 -9.264 8.807 1.00 0.00 H new ATOM 0 HG CYS A 35 15.177 -8.774 6.182 1.00 0.00 H new ATOM 537 N GLY A 36 18.815 -9.741 9.391 1.00 0.00 N ATOM 538 CA GLY A 36 20.226 -10.103 9.292 1.00 0.00 C ATOM 539 C GLY A 36 21.062 -9.289 10.271 1.00 0.00 C ATOM 540 O GLY A 36 22.179 -8.905 9.939 1.00 0.00 O ATOM 0 H GLY A 36 18.241 -10.447 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.349 -11.166 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.580 -9.932 8.275 1.00 0.00 H new ATOM 624 N VAL A 42 20.364 -5.137 17.770 1.00 0.00 N ATOM 625 CA VAL A 42 20.761 -3.764 17.486 1.00 0.00 C ATOM 626 C VAL A 42 22.135 -3.433 18.077 1.00 0.00 C ATOM 627 O VAL A 42 22.704 -4.194 18.865 1.00 0.00 O ATOM 628 CB VAL A 42 19.660 -2.803 17.991 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.266 -3.223 17.487 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.635 -2.646 19.522 1.00 0.00 C ATOM 0 HA VAL A 42 20.865 -3.640 16.408 1.00 0.00 H new ATOM 0 HB VAL A 42 19.917 -1.830 17.572 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.518 -2.525 17.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.256 -3.215 16.397 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.037 -4.227 17.845 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.838 -1.958 19.804 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.457 -3.617 19.984 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.592 -2.252 19.863 1.00 0.00 H new ATOM 640 N HIS A 43 22.630 -2.247 17.721 1.00 0.00 N ATOM 641 CA HIS A 43 23.942 -1.762 18.107 1.00 0.00 C ATOM 642 C HIS A 43 23.821 -0.264 18.415 1.00 0.00 C ATOM 643 O HIS A 43 23.443 0.498 17.525 1.00 0.00 O ATOM 644 CB HIS A 43 24.879 -2.083 16.939 1.00 0.00 C ATOM 645 CG HIS A 43 26.316 -1.746 17.227 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.172 -2.427 18.066 1.00 0.00 N ATOM 647 CD2 HIS A 43 27.006 -0.679 16.726 1.00 0.00 C ATOM 648 CE1 HIS A 43 28.347 -1.775 18.077 1.00 0.00 C ATOM 649 NE2 HIS A 43 28.296 -0.704 17.264 1.00 0.00 N ATOM 0 H HIS A 43 22.112 -1.586 17.142 1.00 0.00 H new ATOM 0 HA HIS A 43 24.345 -2.231 19.005 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.802 -3.144 16.700 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.552 -1.532 16.057 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.622 0.056 16.034 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.210 -2.069 18.656 1.00 0.00 H new ATOM 0 HE2 HIS A 43 29.049 -0.042 17.077 1.00 0.00 H new ATOM 657 N PRO A 44 24.126 0.197 19.643 1.00 0.00 N ATOM 658 CA PRO A 44 23.826 1.558 20.094 1.00 0.00 C ATOM 659 C PRO A 44 24.623 2.624 19.351 1.00 0.00 C ATOM 660 O PRO A 44 24.134 3.743 19.207 1.00 0.00 O ATOM 661 CB PRO A 44 24.159 1.575 21.590 1.00 0.00 C ATOM 662 CG PRO A 44 25.296 0.565 21.661 1.00 0.00 C ATOM 663 CD PRO A 44 24.780 -0.529 20.720 1.00 0.00 C ATOM 0 HA PRO A 44 22.782 1.800 19.894 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.467 2.564 21.930 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.308 1.278 22.203 1.00 0.00 H new ATOM 0 HG2 PRO A 44 26.243 0.986 21.323 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.456 0.195 22.674 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.596 -1.147 20.344 1.00 0.00 H new ATOM 0 HD3 PRO A 44 24.084 -1.195 21.230 1.00 0.00 H new ATOM 671 N THR A 45 25.810 2.298 18.827 1.00 0.00 N ATOM 672 CA THR A 45 26.587 3.282 18.090 1.00 0.00 C ATOM 673 C THR A 45 25.799 3.736 16.859 1.00 0.00 C ATOM 674 O THR A 45 25.819 4.917 16.519 1.00 0.00 O ATOM 675 CB THR A 45 27.969 2.721 17.700 1.00 0.00 C ATOM 676 OG1 THR A 45 28.565 2.092 18.825 1.00 0.00 O ATOM 677 CG2 THR A 45 28.904 3.812 17.158 1.00 0.00 C ATOM 0 H THR A 45 26.241 1.377 18.901 1.00 0.00 H new ATOM 0 HA THR A 45 26.764 4.146 18.730 1.00 0.00 H new ATOM 0 HB THR A 45 27.817 1.994 16.903 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.637 1.128 18.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.865 3.370 16.896 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.460 4.265 16.272 1.00 0.00 H new ATOM 0 HG23 THR A 45 29.052 4.577 17.921 1.00 0.00 H new ATOM 685 N ALA A 46 25.036 2.828 16.226 1.00 0.00 N ATOM 686 CA ALA A 46 24.215 3.189 15.081 1.00 0.00 C ATOM 687 C ALA A 46 23.133 4.157 15.532 1.00 0.00 C ATOM 688 O ALA A 46 22.923 5.171 14.887 1.00 0.00 O ATOM 689 CB ALA A 46 23.616 1.940 14.415 1.00 0.00 C ATOM 0 H ALA A 46 24.978 1.846 16.494 1.00 0.00 H new ATOM 0 HA ALA A 46 24.835 3.679 14.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 23.007 2.239 13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.420 1.288 14.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.995 1.406 15.135 1.00 0.00 H new ATOM 695 N ILE A 47 22.494 3.892 16.669 1.00 0.00 N ATOM 696 CA ILE A 47 21.434 4.753 17.186 1.00 0.00 C ATOM 697 C ILE A 47 21.994 6.155 17.405 1.00 0.00 C ATOM 698 O ILE A 47 21.384 7.110 16.936 1.00 0.00 O ATOM 699 CB ILE A 47 20.813 4.165 18.461 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.834 3.015 18.166 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.032 5.209 19.287 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.434 1.708 17.663 1.00 0.00 C ATOM 0 H ILE A 47 22.694 3.081 17.254 1.00 0.00 H new ATOM 0 HA ILE A 47 20.625 4.816 16.458 1.00 0.00 H new ATOM 0 HB ILE A 47 21.671 3.802 19.027 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.276 2.803 19.078 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.114 3.364 17.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.617 4.733 20.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.704 6.013 19.586 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.223 5.619 18.683 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.638 0.983 17.495 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.965 1.887 16.728 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.129 1.317 18.406 1.00 0.00 H new ATOM 714 N ALA A 48 23.161 6.289 18.043 1.00 0.00 N ATOM 715 CA ALA A 48 23.746 7.605 18.272 1.00 0.00 C ATOM 716 C ALA A 48 24.055 8.302 16.949 1.00 0.00 C ATOM 717 O ALA A 48 23.764 9.485 16.782 1.00 0.00 O ATOM 718 CB ALA A 48 25.011 7.495 19.118 1.00 0.00 C ATOM 0 H ALA A 48 23.711 5.510 18.405 1.00 0.00 H new ATOM 0 HA ALA A 48 23.016 8.205 18.815 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.430 8.489 19.276 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.767 7.047 20.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.741 6.871 18.602 1.00 0.00 H new ATOM 724 N MET A 49 24.602 7.558 15.989 1.00 0.00 N ATOM 725 CA MET A 49 24.892 8.054 14.652 1.00 0.00 C ATOM 726 C MET A 49 23.638 8.504 13.931 1.00 0.00 C ATOM 727 O MET A 49 23.741 9.339 13.039 1.00 0.00 O ATOM 728 CB MET A 49 25.593 6.975 13.830 1.00 0.00 C ATOM 729 CG MET A 49 27.017 6.740 14.322 1.00 0.00 C ATOM 730 SD MET A 49 28.215 7.918 13.649 1.00 0.00 S ATOM 731 CE MET A 49 28.396 9.005 15.075 1.00 0.00 C ATOM 0 H MET A 49 24.858 6.580 16.124 1.00 0.00 H new ATOM 0 HA MET A 49 25.546 8.919 14.762 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.028 6.045 13.889 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.613 7.270 12.781 1.00 0.00 H new ATOM 0 HG2 MET A 49 27.032 6.800 15.410 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.324 5.729 14.054 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.250 9.665 14.923 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.492 9.603 15.194 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.555 8.406 15.971 1.00 0.00 H new ATOM 741 N MET A 50 22.468 7.983 14.285 1.00 0.00 N ATOM 742 CA MET A 50 21.243 8.377 13.610 1.00 0.00 C ATOM 743 C MET A 50 20.574 9.479 14.407 1.00 0.00 C ATOM 744 O MET A 50 19.935 10.348 13.826 1.00 0.00 O ATOM 745 CB MET A 50 20.333 7.170 13.403 1.00 0.00 C ATOM 746 CG MET A 50 21.022 6.041 12.635 1.00 0.00 C ATOM 747 SD MET A 50 22.581 6.404 11.752 1.00 0.00 S ATOM 748 CE MET A 50 23.303 4.754 11.669 1.00 0.00 C ATOM 0 H MET A 50 22.345 7.295 15.028 1.00 0.00 H new ATOM 0 HA MET A 50 21.469 8.766 12.617 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.004 6.797 14.373 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.440 7.481 12.861 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.222 5.235 13.341 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.310 5.656 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.846 4.641 10.731 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.989 4.615 12.504 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.511 4.007 11.722 1.00 0.00 H new ATOM 758 N GLU A 51 20.802 9.529 15.713 1.00 0.00 N ATOM 759 CA GLU A 51 20.395 10.623 16.562 1.00 0.00 C ATOM 760 C GLU A 51 21.113 11.914 16.142 1.00 0.00 C ATOM 761 O GLU A 51 20.523 12.991 16.235 1.00 0.00 O ATOM 762 CB GLU A 51 20.659 10.224 18.029 1.00 0.00 C ATOM 763 CG GLU A 51 20.069 11.234 19.017 1.00 0.00 C ATOM 764 CD GLU A 51 20.259 10.765 20.469 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.354 10.986 21.043 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.310 10.190 21.056 1.00 0.00 O ATOM 0 H GLU A 51 21.288 8.787 16.217 1.00 0.00 H new ATOM 0 HA GLU A 51 19.329 10.827 16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.231 9.240 18.219 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.733 10.142 18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.547 12.204 18.879 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.007 11.370 18.812 1.00 0.00 H new ATOM 773 N GLU A 52 22.326 11.813 15.579 1.00 0.00 N ATOM 774 CA GLU A 52 23.011 12.940 14.938 1.00 0.00 C ATOM 775 C GLU A 52 22.153 13.558 13.811 1.00 0.00 C ATOM 776 O GLU A 52 22.298 14.739 13.489 1.00 0.00 O ATOM 777 CB GLU A 52 24.355 12.510 14.319 1.00 0.00 C ATOM 778 CG GLU A 52 25.466 12.091 15.291 1.00 0.00 C ATOM 779 CD GLU A 52 26.858 12.194 14.648 1.00 0.00 C ATOM 780 OE1 GLU A 52 27.020 11.874 13.443 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.814 12.585 15.356 1.00 0.00 O ATOM 0 H GLU A 52 22.859 10.944 15.557 1.00 0.00 H new ATOM 0 HA GLU A 52 23.181 13.675 15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.165 11.677 13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.728 13.335 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.429 12.722 16.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.293 11.066 15.620 1.00 0.00 H new ATOM 788 N VAL A 53 21.264 12.764 13.213 1.00 0.00 N ATOM 789 CA VAL A 53 20.382 13.119 12.101 1.00 0.00 C ATOM 790 C VAL A 53 18.964 13.413 12.630 1.00 0.00 C ATOM 791 O VAL A 53 18.144 14.008 11.925 1.00 0.00 O ATOM 792 CB VAL A 53 20.346 11.951 11.080 1.00 0.00 C ATOM 793 CG1 VAL A 53 19.804 12.383 9.714 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.716 11.291 10.849 1.00 0.00 C ATOM 0 H VAL A 53 21.133 11.797 13.510 1.00 0.00 H new ATOM 0 HA VAL A 53 20.760 14.014 11.606 1.00 0.00 H new ATOM 0 HB VAL A 53 19.675 11.225 11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.800 11.528 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.788 12.760 9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 53 20.438 13.168 9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.613 10.484 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.418 12.033 10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 53 22.089 10.888 11.790 1.00 0.00 H new ATOM 804 N GLY A 54 18.661 13.005 13.865 1.00 0.00 N ATOM 805 CA GLY A 54 17.318 13.012 14.420 1.00 0.00 C ATOM 806 C GLY A 54 16.502 11.816 13.908 1.00 0.00 C ATOM 807 O GLY A 54 15.281 11.922 13.785 1.00 0.00 O ATOM 0 H GLY A 54 19.363 12.654 14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.371 12.981 15.508 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.815 13.941 14.152 1.00 0.00 H new ATOM 811 N ILE A 55 17.162 10.692 13.595 1.00 0.00 N ATOM 812 CA ILE A 55 16.543 9.450 13.137 1.00 0.00 C ATOM 813 C ILE A 55 16.673 8.413 14.266 1.00 0.00 C ATOM 814 O ILE A 55 17.552 8.510 15.124 1.00 0.00 O ATOM 815 CB ILE A 55 17.082 9.012 11.749 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.774 10.158 10.756 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.436 7.688 11.271 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.164 9.824 9.327 1.00 0.00 C ATOM 0 H ILE A 55 18.178 10.625 13.658 1.00 0.00 H new ATOM 0 HA ILE A 55 15.478 9.582 12.947 1.00 0.00 H new ATOM 0 HB ILE A 55 18.154 8.825 11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.709 10.387 10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.304 11.057 11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.841 7.417 10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.655 6.897 11.988 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.357 7.817 11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.924 10.666 8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.234 9.623 9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.614 8.943 8.996 1.00 0.00 H new ATOM 830 N ASP A 56 15.795 7.412 14.256 1.00 0.00 N ATOM 831 CA ASP A 56 15.642 6.385 15.284 1.00 0.00 C ATOM 832 C ASP A 56 15.724 5.025 14.596 1.00 0.00 C ATOM 833 O ASP A 56 15.056 4.828 13.581 1.00 0.00 O ATOM 834 CB ASP A 56 14.268 6.561 15.949 1.00 0.00 C ATOM 835 CG ASP A 56 13.720 5.233 16.500 1.00 0.00 C ATOM 836 OD1 ASP A 56 14.156 4.813 17.594 1.00 0.00 O ATOM 837 OD2 ASP A 56 12.873 4.607 15.817 1.00 0.00 O ATOM 0 H ASP A 56 15.135 7.289 13.488 1.00 0.00 H new ATOM 0 HA ASP A 56 16.418 6.463 16.045 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.348 7.285 16.760 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.564 6.971 15.224 1.00 0.00 H new ATOM 842 N ILE A 57 16.518 4.093 15.140 1.00 0.00 N ATOM 843 CA ILE A 57 16.630 2.720 14.664 1.00 0.00 C ATOM 844 C ILE A 57 16.741 1.720 15.823 1.00 0.00 C ATOM 845 O ILE A 57 16.927 0.530 15.576 1.00 0.00 O ATOM 846 CB ILE A 57 17.757 2.587 13.606 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.158 3.032 14.077 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.390 3.351 12.327 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.262 2.802 13.038 1.00 0.00 C ATOM 0 H ILE A 57 17.114 4.285 15.945 1.00 0.00 H new ATOM 0 HA ILE A 57 15.705 2.457 14.151 1.00 0.00 H new ATOM 0 HB ILE A 57 17.828 1.516 13.417 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.126 4.091 14.331 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.413 2.493 14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.193 3.246 11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.467 2.945 11.913 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.249 4.406 12.561 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.217 3.139 13.441 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.323 1.740 12.801 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.032 3.363 12.132 1.00 0.00 H new ATOM 861 N SER A 58 16.635 2.164 17.076 1.00 0.00 N ATOM 862 CA SER A 58 16.656 1.321 18.255 1.00 0.00 C ATOM 863 C SER A 58 15.402 0.450 18.305 1.00 0.00 C ATOM 864 O SER A 58 14.322 0.867 17.884 1.00 0.00 O ATOM 865 CB SER A 58 16.787 2.190 19.519 1.00 0.00 C ATOM 866 OG SER A 58 16.893 3.582 19.230 1.00 0.00 O ATOM 0 H SER A 58 16.529 3.154 17.297 1.00 0.00 H new ATOM 0 HA SER A 58 17.520 0.658 18.208 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.921 2.023 20.160 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.665 1.873 20.081 1.00 0.00 H new ATOM 0 HG SER A 58 16.972 4.085 20.067 1.00 0.00 H new ATOM 872 N GLY A 59 15.561 -0.777 18.806 1.00 0.00 N ATOM 873 CA GLY A 59 14.485 -1.756 18.933 1.00 0.00 C ATOM 874 C GLY A 59 13.845 -2.179 17.606 1.00 0.00 C ATOM 875 O GLY A 59 12.876 -2.939 17.649 1.00 0.00 O ATOM 0 H GLY A 59 16.460 -1.122 19.141 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.876 -2.643 19.431 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.710 -1.343 19.579 1.00 0.00 H new ATOM 879 N GLN A 60 14.341 -1.704 16.447 1.00 0.00 N ATOM 880 CA GLN A 60 13.683 -1.942 15.166 1.00 0.00 C ATOM 881 C GLN A 60 13.486 -3.421 14.872 1.00 0.00 C ATOM 882 O GLN A 60 12.357 -3.885 14.692 1.00 0.00 O ATOM 883 CB GLN A 60 14.502 -1.324 14.010 1.00 0.00 C ATOM 884 CG GLN A 60 13.892 0.010 13.584 1.00 0.00 C ATOM 885 CD GLN A 60 14.618 0.711 12.439 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.315 1.865 12.169 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.575 0.092 11.768 1.00 0.00 N ATOM 0 H GLN A 60 15.197 -1.153 16.381 1.00 0.00 H new ATOM 0 HA GLN A 60 12.703 -1.470 15.239 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.535 -1.175 14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.523 -2.009 13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.856 -0.158 13.289 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.874 0.677 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.820 -0.870 12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.068 0.577 11.018 1.00 0.00 H new ATOM 896 N THR A 61 14.602 -4.139 14.849 1.00 0.00 N ATOM 897 CA THR A 61 14.679 -5.494 14.335 1.00 0.00 C ATOM 898 C THR A 61 15.622 -6.338 15.199 1.00 0.00 C ATOM 899 O THR A 61 16.328 -5.786 16.046 1.00 0.00 O ATOM 900 CB THR A 61 15.007 -5.368 12.824 1.00 0.00 C ATOM 901 OG1 THR A 61 15.846 -4.249 12.571 1.00 0.00 O ATOM 902 CG2 THR A 61 13.729 -5.106 12.022 1.00 0.00 C ATOM 0 H THR A 61 15.494 -3.786 15.195 1.00 0.00 H new ATOM 0 HA THR A 61 13.746 -6.054 14.403 1.00 0.00 H new ATOM 0 HB THR A 61 15.491 -6.301 12.535 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.934 -4.119 11.604 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.975 -5.020 10.964 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.033 -5.932 12.167 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.268 -4.179 12.364 1.00 0.00 H new ATOM 910 N SER A 62 15.601 -7.673 15.070 1.00 0.00 N ATOM 911 CA SER A 62 16.353 -8.590 15.943 1.00 0.00 C ATOM 912 C SER A 62 16.499 -10.014 15.354 1.00 0.00 C ATOM 913 O SER A 62 16.783 -10.942 16.115 1.00 0.00 O ATOM 914 CB SER A 62 15.642 -8.646 17.322 1.00 0.00 C ATOM 915 OG SER A 62 15.856 -7.469 18.088 1.00 0.00 O ATOM 0 H SER A 62 15.058 -8.151 14.351 1.00 0.00 H new ATOM 0 HA SER A 62 17.367 -8.203 16.042 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.572 -8.789 17.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.003 -9.510 17.880 1.00 0.00 H new ATOM 0 HG SER A 62 16.323 -6.803 17.541 1.00 0.00 H new ATOM 921 N ASP A 63 16.335 -10.235 14.037 1.00 0.00 N ATOM 922 CA ASP A 63 16.240 -11.603 13.492 1.00 0.00 C ATOM 923 C ASP A 63 16.952 -11.765 12.139 1.00 0.00 C ATOM 924 O ASP A 63 17.092 -10.780 11.410 1.00 0.00 O ATOM 925 CB ASP A 63 14.760 -11.987 13.342 1.00 0.00 C ATOM 926 CG ASP A 63 14.134 -12.448 14.668 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.380 -13.603 15.093 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.372 -11.660 15.283 1.00 0.00 O ATOM 0 H ASP A 63 16.266 -9.495 13.338 1.00 0.00 H new ATOM 0 HA ASP A 63 16.744 -12.265 14.196 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.203 -11.132 12.959 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.668 -12.784 12.604 1.00 0.00 H new ATOM 933 N PRO A 64 17.407 -12.985 11.784 1.00 0.00 N ATOM 934 CA PRO A 64 18.001 -13.322 10.486 1.00 0.00 C ATOM 935 C PRO A 64 16.963 -13.441 9.350 1.00 0.00 C ATOM 936 O PRO A 64 15.777 -13.199 9.549 1.00 0.00 O ATOM 937 CB PRO A 64 18.758 -14.638 10.724 1.00 0.00 C ATOM 938 CG PRO A 64 17.986 -15.315 11.849 1.00 0.00 C ATOM 939 CD PRO A 64 17.478 -14.141 12.678 1.00 0.00 C ATOM 0 HA PRO A 64 18.662 -12.526 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.776 -15.255 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.795 -14.456 11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.166 -15.922 11.466 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.625 -15.975 12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.498 -14.363 13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 64 18.148 -13.941 13.514 1.00 0.00 H new ATOM 947 N ILE A 65 17.426 -13.798 8.143 1.00 0.00 N ATOM 948 CA ILE A 65 16.648 -13.847 6.901 1.00 0.00 C ATOM 949 C ILE A 65 15.740 -15.072 6.791 1.00 0.00 C ATOM 950 O ILE A 65 14.656 -14.983 6.222 1.00 0.00 O ATOM 951 CB ILE A 65 17.648 -13.783 5.704 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.946 -13.572 4.339 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.585 -15.014 5.658 1.00 0.00 C ATOM 954 CD1 ILE A 65 17.867 -13.591 3.107 1.00 0.00 C ATOM 0 H ILE A 65 18.398 -14.073 8.002 1.00 0.00 H new ATOM 0 HA ILE A 65 15.970 -12.993 6.891 1.00 0.00 H new ATOM 0 HB ILE A 65 18.263 -12.901 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.189 -14.347 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.422 -12.616 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.262 -14.924 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.164 -15.065 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.989 -15.921 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.273 -13.434 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.609 -12.797 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.372 -14.555 3.045 1.00 0.00 H new ATOM 966 N GLU A 66 16.158 -16.212 7.342 1.00 0.00 N ATOM 967 CA GLU A 66 15.501 -17.491 7.088 1.00 0.00 C ATOM 968 C GLU A 66 14.101 -17.601 7.698 1.00 0.00 C ATOM 969 O GLU A 66 13.244 -18.306 7.157 1.00 0.00 O ATOM 970 CB GLU A 66 16.419 -18.621 7.572 1.00 0.00 C ATOM 971 CG GLU A 66 17.589 -18.876 6.613 1.00 0.00 C ATOM 972 CD GLU A 66 18.449 -20.064 7.084 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.400 -19.860 7.877 1.00 0.00 O ATOM 974 OE2 GLU A 66 18.188 -21.216 6.654 1.00 0.00 O ATOM 0 H GLU A 66 16.957 -16.273 7.973 1.00 0.00 H new ATOM 0 HA GLU A 66 15.339 -17.573 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.809 -18.371 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.837 -19.536 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.205 -19.076 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.207 -17.981 6.544 1.00 0.00 H new ATOM 981 N ASN A 67 13.844 -16.880 8.791 1.00 0.00 N ATOM 982 CA ASN A 67 12.518 -16.744 9.372 1.00 0.00 C ATOM 983 C ASN A 67 11.640 -15.739 8.618 1.00 0.00 C ATOM 984 O ASN A 67 10.456 -15.648 8.956 1.00 0.00 O ATOM 985 CB ASN A 67 12.582 -16.377 10.867 1.00 0.00 C ATOM 986 CG ASN A 67 13.587 -15.276 11.151 1.00 0.00 C ATOM 987 OD1 ASN A 67 14.634 -15.540 11.727 1.00 0.00 O ATOM 988 ND2 ASN A 67 13.362 -14.066 10.678 1.00 0.00 N ATOM 0 H ASN A 67 14.565 -16.369 9.300 1.00 0.00 H new ATOM 0 HA ASN A 67 12.052 -17.724 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.595 -16.059 11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.845 -17.263 11.445 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.065 -13.336 10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.485 -13.860 10.200 1.00 0.00 H new ATOM 995 N PHE A 68 12.154 -14.981 7.638 1.00 0.00 N ATOM 996 CA PHE A 68 11.347 -14.023 6.890 1.00 0.00 C ATOM 997 C PHE A 68 10.975 -14.551 5.501 1.00 0.00 C ATOM 998 O PHE A 68 11.510 -15.554 5.020 1.00 0.00 O ATOM 999 CB PHE A 68 12.013 -12.637 6.886 1.00 0.00 C ATOM 1000 CG PHE A 68 12.050 -11.977 8.259 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.863 -11.810 9.004 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.270 -11.540 8.805 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.902 -11.217 10.276 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.308 -10.948 10.083 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.122 -10.786 10.818 1.00 0.00 C ATOM 0 H PHE A 68 13.131 -15.018 7.349 1.00 0.00 H new ATOM 0 HA PHE A 68 10.392 -13.895 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.032 -12.733 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.478 -11.987 6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.920 -12.140 8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.183 -11.659 8.241 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.989 -11.092 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.249 -10.619 10.498 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.149 -10.331 11.797 1.00 0.00 H new ATOM 1015 N ASN A 69 10.010 -13.871 4.874 1.00 0.00 N ATOM 1016 CA ASN A 69 9.335 -14.295 3.653 1.00 0.00 C ATOM 1017 C ASN A 69 9.122 -13.082 2.762 1.00 0.00 C ATOM 1018 O ASN A 69 8.101 -12.403 2.869 1.00 0.00 O ATOM 1019 CB ASN A 69 8.028 -15.061 3.966 1.00 0.00 C ATOM 1020 CG ASN A 69 7.201 -14.526 5.138 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.986 -15.227 6.124 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.735 -13.288 5.086 1.00 0.00 N ATOM 0 H ASN A 69 9.667 -12.975 5.221 1.00 0.00 H new ATOM 0 HA ASN A 69 9.959 -15.005 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.403 -15.054 3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.280 -16.102 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.195 -12.913 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.916 -12.709 4.266 1.00 0.00 H new ATOM 1029 N ALA A 70 10.105 -12.773 1.911 1.00 0.00 N ATOM 1030 CA ALA A 70 10.058 -11.651 0.985 1.00 0.00 C ATOM 1031 C ALA A 70 8.792 -11.635 0.130 1.00 0.00 C ATOM 1032 O ALA A 70 8.365 -10.563 -0.274 1.00 0.00 O ATOM 1033 CB ALA A 70 11.260 -11.705 0.058 1.00 0.00 C ATOM 0 H ALA A 70 10.970 -13.310 1.850 1.00 0.00 H new ATOM 0 HA ALA A 70 10.064 -10.746 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.223 -10.864 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.176 -11.651 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.245 -12.639 -0.504 1.00 0.00 H new ATOM 1039 N ASP A 71 8.185 -12.787 -0.137 1.00 0.00 N ATOM 1040 CA ASP A 71 6.911 -12.904 -0.851 1.00 0.00 C ATOM 1041 C ASP A 71 5.827 -11.987 -0.264 1.00 0.00 C ATOM 1042 O ASP A 71 4.978 -11.477 -1.001 1.00 0.00 O ATOM 1043 CB ASP A 71 6.389 -14.345 -0.805 1.00 0.00 C ATOM 1044 CG ASP A 71 5.025 -14.466 -1.508 1.00 0.00 C ATOM 1045 OD1 ASP A 71 4.982 -14.388 -2.759 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.002 -14.689 -0.816 1.00 0.00 O ATOM 0 H ASP A 71 8.572 -13.689 0.142 1.00 0.00 H new ATOM 0 HA ASP A 71 7.113 -12.603 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.108 -15.010 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.297 -14.668 0.232 1.00 0.00 H new ATOM 1051 N ASP A 72 5.867 -11.756 1.053 1.00 0.00 N ATOM 1052 CA ASP A 72 4.921 -10.858 1.725 1.00 0.00 C ATOM 1053 C ASP A 72 5.182 -9.371 1.407 1.00 0.00 C ATOM 1054 O ASP A 72 4.290 -8.533 1.543 1.00 0.00 O ATOM 1055 CB ASP A 72 4.984 -11.091 3.236 1.00 0.00 C ATOM 1056 CG ASP A 72 3.978 -10.215 4.001 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.748 -10.409 3.835 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.421 -9.370 4.815 1.00 0.00 O ATOM 0 H ASP A 72 6.550 -12.182 1.679 1.00 0.00 H new ATOM 0 HA ASP A 72 3.925 -11.090 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.784 -12.141 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.992 -10.880 3.593 1.00 0.00 H new ATOM 1063 N TYR A 73 6.398 -9.048 0.967 1.00 0.00 N ATOM 1064 CA TYR A 73 6.927 -7.727 0.688 1.00 0.00 C ATOM 1065 C TYR A 73 6.909 -7.485 -0.831 1.00 0.00 C ATOM 1066 O TYR A 73 6.589 -8.392 -1.609 1.00 0.00 O ATOM 1067 CB TYR A 73 8.376 -7.589 1.229 1.00 0.00 C ATOM 1068 CG TYR A 73 8.597 -7.887 2.704 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.420 -9.192 3.198 1.00 0.00 C ATOM 1070 CD2 TYR A 73 9.040 -6.880 3.582 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.593 -9.485 4.560 1.00 0.00 C ATOM 1072 CE2 TYR A 73 9.210 -7.159 4.950 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.965 -8.455 5.454 1.00 0.00 C ATOM 1074 OH TYR A 73 9.094 -8.691 6.790 1.00 0.00 O ATOM 0 H TYR A 73 7.093 -9.772 0.783 1.00 0.00 H new ATOM 0 HA TYR A 73 6.305 -6.984 1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.018 -8.253 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.714 -6.571 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.146 -9.984 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.250 -5.890 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.443 -10.491 4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.531 -6.375 5.621 1.00 0.00 H new ATOM 0 HH TYR A 73 9.357 -7.864 7.244 1.00 0.00 H new ATOM 1084 N ASP A 74 7.271 -6.266 -1.264 1.00 0.00 N ATOM 1085 CA ASP A 74 7.407 -5.960 -2.690 1.00 0.00 C ATOM 1086 C ASP A 74 8.829 -5.578 -3.086 1.00 0.00 C ATOM 1087 O ASP A 74 9.129 -5.656 -4.273 1.00 0.00 O ATOM 1088 CB ASP A 74 6.454 -4.832 -3.099 1.00 0.00 C ATOM 1089 CG ASP A 74 4.982 -5.265 -3.066 1.00 0.00 C ATOM 1090 OD1 ASP A 74 4.488 -5.815 -4.079 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.313 -5.029 -2.031 1.00 0.00 O ATOM 0 H ASP A 74 7.473 -5.481 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 74 7.150 -6.878 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.594 -3.982 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.707 -4.493 -4.104 1.00 0.00 H new ATOM 1096 N VAL A 75 9.723 -5.186 -2.178 1.00 0.00 N ATOM 1097 CA VAL A 75 11.076 -4.781 -2.543 1.00 0.00 C ATOM 1098 C VAL A 75 12.053 -5.373 -1.531 1.00 0.00 C ATOM 1099 O VAL A 75 11.869 -5.256 -0.315 1.00 0.00 O ATOM 1100 CB VAL A 75 11.125 -3.259 -2.668 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.546 -2.689 -2.642 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.298 -2.723 -3.849 1.00 0.00 C ATOM 0 H VAL A 75 9.530 -5.141 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 75 11.375 -5.168 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 75 10.641 -2.887 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.504 -1.604 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.027 -2.954 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.119 -3.103 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.374 -1.636 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.679 -3.143 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.254 -3.010 -3.722 1.00 0.00 H new ATOM 1112 N VAL A 76 13.133 -5.970 -2.025 1.00 0.00 N ATOM 1113 CA VAL A 76 14.203 -6.484 -1.210 1.00 0.00 C ATOM 1114 C VAL A 76 15.429 -5.700 -1.597 1.00 0.00 C ATOM 1115 O VAL A 76 15.715 -5.503 -2.779 1.00 0.00 O ATOM 1116 CB VAL A 76 14.395 -7.983 -1.492 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.806 -8.491 -1.126 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.339 -8.780 -0.716 1.00 0.00 C ATOM 0 H VAL A 76 13.282 -6.108 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 76 13.996 -6.381 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 76 14.278 -8.129 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.878 -9.556 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.551 -7.947 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.987 -8.329 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.470 -9.844 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.452 -8.591 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.343 -8.472 -1.035 1.00 0.00 H new ATOM 1128 N ILE A 77 16.186 -5.346 -0.574 1.00 0.00 N ATOM 1129 CA ILE A 77 17.475 -4.728 -0.674 1.00 0.00 C ATOM 1130 C ILE A 77 18.325 -5.556 0.272 1.00 0.00 C ATOM 1131 O ILE A 77 18.337 -5.348 1.479 1.00 0.00 O ATOM 1132 CB ILE A 77 17.345 -3.246 -0.304 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.362 -2.478 -1.216 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.720 -2.581 -0.322 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.693 -2.439 -2.723 1.00 0.00 C ATOM 0 H ILE A 77 15.894 -5.494 0.392 1.00 0.00 H new ATOM 0 HA ILE A 77 17.926 -4.717 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 77 16.929 -3.205 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.373 -2.920 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.297 -1.451 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.619 -1.528 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.372 -3.075 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.152 -2.665 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.926 -1.870 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.663 -1.964 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.724 -3.456 -3.115 1.00 0.00 H new ATOM 1147 N SER A 78 18.974 -6.582 -0.246 1.00 0.00 N ATOM 1148 CA SER A 78 19.969 -7.274 0.547 1.00 0.00 C ATOM 1149 C SER A 78 21.174 -6.323 0.719 1.00 0.00 C ATOM 1150 O SER A 78 21.258 -5.289 0.060 1.00 0.00 O ATOM 1151 CB SER A 78 20.176 -8.642 -0.107 1.00 0.00 C ATOM 1152 OG SER A 78 21.258 -9.344 0.450 1.00 0.00 O ATOM 0 H SER A 78 18.835 -6.947 -1.188 1.00 0.00 H new ATOM 0 HA SER A 78 19.697 -7.512 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.268 -9.235 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.344 -8.509 -1.176 1.00 0.00 H new ATOM 0 HG SER A 78 22.068 -9.165 -0.072 1.00 0.00 H new ATOM 1158 N LEU A 79 22.078 -6.597 1.654 1.00 0.00 N ATOM 1159 CA LEU A 79 23.345 -5.882 1.857 1.00 0.00 C ATOM 1160 C LEU A 79 24.410 -6.942 2.171 1.00 0.00 C ATOM 1161 O LEU A 79 25.321 -6.723 2.973 1.00 0.00 O ATOM 1162 CB LEU A 79 23.298 -4.809 2.977 1.00 0.00 C ATOM 1163 CG LEU A 79 22.382 -3.582 2.799 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.903 -3.836 3.110 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.854 -2.456 3.734 1.00 0.00 C ATOM 0 H LEU A 79 21.947 -7.356 2.323 1.00 0.00 H new ATOM 0 HA LEU A 79 23.574 -5.323 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.003 -5.309 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.314 -4.443 3.124 1.00 0.00 H new ATOM 0 HG LEU A 79 22.455 -3.320 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.336 -2.918 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.520 -4.613 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.799 -4.158 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.209 -1.586 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.808 -2.798 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.880 -2.184 3.487 1.00 0.00 H new ATOM 1177 N CYS A 80 24.255 -8.136 1.593 1.00 0.00 N ATOM 1178 CA CYS A 80 25.142 -9.268 1.798 1.00 0.00 C ATOM 1179 C CYS A 80 26.480 -9.091 1.057 1.00 0.00 C ATOM 1180 O CYS A 80 27.349 -9.953 1.196 1.00 0.00 O ATOM 1181 CB CYS A 80 24.422 -10.565 1.385 1.00 0.00 C ATOM 1182 SG CYS A 80 23.033 -10.925 2.508 1.00 0.00 S ATOM 0 H CYS A 80 23.487 -8.340 0.954 1.00 0.00 H new ATOM 0 HA CYS A 80 25.391 -9.330 2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.054 -10.472 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.127 -11.396 1.395 1.00 0.00 H new ATOM 0 HG CYS A 80 21.941 -10.409 2.027 1.00 0.00 H new ATOM 1188 N GLY A 81 26.672 -8.010 0.285 1.00 0.00 N ATOM 1189 CA GLY A 81 27.940 -7.732 -0.385 1.00 0.00 C ATOM 1190 C GLY A 81 27.920 -8.247 -1.822 1.00 0.00 C ATOM 1191 O GLY A 81 28.941 -8.734 -2.305 1.00 0.00 O ATOM 0 H GLY A 81 25.951 -7.309 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.130 -6.659 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.756 -8.202 0.163 1.00 0.00 H new ATOM 1195 N CYS A 82 26.742 -8.180 -2.463 1.00 0.00 N ATOM 1196 CA CYS A 82 26.428 -8.629 -3.818 1.00 0.00 C ATOM 1197 C CYS A 82 27.115 -9.952 -4.210 1.00 0.00 C ATOM 1198 O CYS A 82 27.655 -10.088 -5.311 1.00 0.00 O ATOM 1199 CB CYS A 82 26.576 -7.450 -4.801 1.00 0.00 C ATOM 1200 SG CYS A 82 28.272 -6.796 -4.916 1.00 0.00 S ATOM 0 H CYS A 82 25.924 -7.778 -2.006 1.00 0.00 H new ATOM 0 HA CYS A 82 25.380 -8.925 -3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.253 -7.772 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.907 -6.646 -4.493 1.00 0.00 H new ATOM 0 HG CYS A 82 29.040 -7.431 -4.081 1.00 0.00 H new ATOM 1206 N GLY A 83 27.075 -10.931 -3.295 1.00 0.00 N ATOM 1207 CA GLY A 83 27.691 -12.251 -3.438 1.00 0.00 C ATOM 1208 C GLY A 83 26.813 -13.338 -2.812 1.00 0.00 C ATOM 1209 O GLY A 83 27.317 -14.274 -2.189 1.00 0.00 O ATOM 0 H GLY A 83 26.594 -10.817 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.849 -12.470 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.672 -12.252 -2.962 1.00 0.00 H new ATOM 1213 N VAL A 84 25.492 -13.186 -2.938 1.00 0.00 N ATOM 1214 CA VAL A 84 24.455 -14.041 -2.393 1.00 0.00 C ATOM 1215 C VAL A 84 23.508 -14.454 -3.521 1.00 0.00 C ATOM 1216 O VAL A 84 23.457 -13.808 -4.571 1.00 0.00 O ATOM 1217 CB VAL A 84 23.788 -13.267 -1.228 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.213 -11.911 -1.679 1.00 0.00 C ATOM 1219 CG2 VAL A 84 22.738 -14.070 -0.427 1.00 0.00 C ATOM 0 H VAL A 84 25.100 -12.404 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 84 24.837 -14.975 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 84 24.608 -13.084 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.757 -11.408 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.015 -11.291 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.460 -12.073 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.328 -13.444 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.935 -14.384 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.210 -14.949 0.012 1.00 0.00 H new ATOM 1229 N ASN A 85 22.732 -15.515 -3.289 1.00 0.00 N ATOM 1230 CA ASN A 85 21.699 -15.973 -4.201 1.00 0.00 C ATOM 1231 C ASN A 85 20.465 -16.276 -3.367 1.00 0.00 C ATOM 1232 O ASN A 85 20.291 -17.375 -2.834 1.00 0.00 O ATOM 1233 CB ASN A 85 22.203 -17.168 -5.024 1.00 0.00 C ATOM 1234 CG ASN A 85 21.378 -17.293 -6.293 1.00 0.00 C ATOM 1235 OD1 ASN A 85 20.478 -18.122 -6.404 1.00 0.00 O ATOM 1236 ND2 ASN A 85 21.669 -16.440 -7.263 1.00 0.00 N ATOM 0 H ASN A 85 22.811 -16.085 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 85 21.438 -15.213 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.255 -17.033 -5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.129 -18.084 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 85 21.139 -16.459 -8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.423 -15.764 -7.139 1.00 0.00 H new ATOM 1243 N LEU A 86 19.685 -15.217 -3.134 1.00 0.00 N ATOM 1244 CA LEU A 86 18.550 -15.205 -2.229 1.00 0.00 C ATOM 1245 C LEU A 86 17.501 -16.217 -2.737 1.00 0.00 C ATOM 1246 O LEU A 86 17.449 -16.450 -3.952 1.00 0.00 O ATOM 1247 CB LEU A 86 17.929 -13.809 -2.179 1.00 0.00 C ATOM 1248 CG LEU A 86 18.807 -12.637 -1.718 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.305 -12.753 -0.276 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.968 -12.271 -2.640 1.00 0.00 C ATOM 0 H LEU A 86 19.838 -14.317 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 86 18.881 -15.477 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.559 -13.574 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.062 -13.854 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 86 18.098 -11.810 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.917 -11.885 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.452 -12.798 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.901 -13.659 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.519 -11.431 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.635 -13.127 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.581 -11.993 -3.620 1.00 0.00 H new ATOM 1262 N PRO A 87 16.638 -16.789 -1.874 1.00 0.00 N ATOM 1263 CA PRO A 87 15.548 -17.652 -2.326 1.00 0.00 C ATOM 1264 C PRO A 87 14.630 -16.949 -3.338 1.00 0.00 C ATOM 1265 O PRO A 87 14.534 -15.720 -3.303 1.00 0.00 O ATOM 1266 CB PRO A 87 14.760 -18.042 -1.077 1.00 0.00 C ATOM 1267 CG PRO A 87 15.741 -17.807 0.074 1.00 0.00 C ATOM 1268 CD PRO A 87 16.655 -16.688 -0.426 1.00 0.00 C ATOM 0 HA PRO A 87 15.952 -18.523 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.863 -17.433 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.437 -19.082 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.220 -17.517 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.307 -18.710 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.297 -15.713 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.666 -16.804 -0.037 1.00 0.00 H new ATOM 1276 N PRO A 88 13.885 -17.683 -4.183 1.00 0.00 N ATOM 1277 CA PRO A 88 13.156 -17.099 -5.305 1.00 0.00 C ATOM 1278 C PRO A 88 12.236 -15.917 -4.972 1.00 0.00 C ATOM 1279 O PRO A 88 12.156 -14.953 -5.731 1.00 0.00 O ATOM 1280 CB PRO A 88 12.374 -18.253 -5.941 1.00 0.00 C ATOM 1281 CG PRO A 88 13.239 -19.471 -5.624 1.00 0.00 C ATOM 1282 CD PRO A 88 13.826 -19.140 -4.254 1.00 0.00 C ATOM 0 HA PRO A 88 13.880 -16.645 -5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.375 -18.346 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.251 -18.114 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.649 -20.387 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.019 -19.615 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 88 13.205 -19.545 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.818 -19.577 -4.139 1.00 0.00 H new ATOM 1290 N GLU A 89 11.569 -15.939 -3.818 1.00 0.00 N ATOM 1291 CA GLU A 89 10.600 -14.917 -3.451 1.00 0.00 C ATOM 1292 C GLU A 89 11.253 -13.555 -3.222 1.00 0.00 C ATOM 1293 O GLU A 89 10.614 -12.511 -3.348 1.00 0.00 O ATOM 1294 CB GLU A 89 9.816 -15.372 -2.223 1.00 0.00 C ATOM 1295 CG GLU A 89 10.663 -15.784 -1.012 1.00 0.00 C ATOM 1296 CD GLU A 89 9.760 -16.259 0.135 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.116 -15.391 0.763 1.00 0.00 O ATOM 1298 OE2 GLU A 89 9.708 -17.484 0.408 1.00 0.00 O ATOM 0 H GLU A 89 11.688 -16.668 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 89 9.911 -14.788 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.149 -14.565 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.187 -16.215 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.351 -16.580 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.270 -14.941 -0.681 1.00 0.00 H new ATOM 1305 N TRP A 90 12.544 -13.564 -2.899 1.00 0.00 N ATOM 1306 CA TRP A 90 13.354 -12.379 -2.701 1.00 0.00 C ATOM 1307 C TRP A 90 13.742 -11.704 -4.019 1.00 0.00 C ATOM 1308 O TRP A 90 14.203 -10.566 -3.968 1.00 0.00 O ATOM 1309 CB TRP A 90 14.601 -12.741 -1.883 1.00 0.00 C ATOM 1310 CG TRP A 90 14.371 -13.180 -0.454 1.00 0.00 C ATOM 1311 CD1 TRP A 90 13.901 -14.377 -0.033 1.00 0.00 C ATOM 1312 CD2 TRP A 90 14.543 -12.410 0.774 1.00 0.00 C ATOM 1313 NE1 TRP A 90 13.737 -14.367 1.342 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.041 -13.141 1.883 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.001 -11.116 1.040 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 13.938 -12.582 3.168 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.889 -10.516 2.303 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.348 -11.250 3.376 1.00 0.00 C ATOM 0 H TRP A 90 13.067 -14.430 -2.765 1.00 0.00 H new ATOM 0 HA TRP A 90 12.754 -11.654 -2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.130 -13.540 -2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.263 -11.875 -1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.685 -15.218 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.428 -15.172 1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.460 -10.555 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.549 -13.167 3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.216 -9.497 2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.248 -10.796 4.351 1.00 0.00 H new ATOM 1329 N VAL A 91 13.538 -12.337 -5.182 1.00 0.00 N ATOM 1330 CA VAL A 91 13.921 -11.788 -6.478 1.00 0.00 C ATOM 1331 C VAL A 91 12.706 -11.515 -7.378 1.00 0.00 C ATOM 1332 O VAL A 91 12.822 -10.730 -8.320 1.00 0.00 O ATOM 1333 CB VAL A 91 15.007 -12.650 -7.158 1.00 0.00 C ATOM 1334 CG1 VAL A 91 16.310 -12.646 -6.341 1.00 0.00 C ATOM 1335 CG2 VAL A 91 14.611 -14.112 -7.397 1.00 0.00 C ATOM 0 H VAL A 91 13.097 -13.255 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 91 14.373 -10.812 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 91 15.143 -12.181 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.057 -13.261 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.681 -11.625 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.117 -13.049 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.435 -14.638 -7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.384 -14.588 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.732 -14.150 -8.040 1.00 0.00 H new ATOM 1345 N THR A 92 11.531 -12.082 -7.081 1.00 0.00 N ATOM 1346 CA THR A 92 10.295 -11.837 -7.837 1.00 0.00 C ATOM 1347 C THR A 92 9.663 -10.473 -7.500 1.00 0.00 C ATOM 1348 O THR A 92 8.772 -9.997 -8.206 1.00 0.00 O ATOM 1349 CB THR A 92 9.332 -13.002 -7.573 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.230 -13.243 -6.178 1.00 0.00 O ATOM 1351 CG2 THR A 92 9.878 -14.262 -8.250 1.00 0.00 C ATOM 0 H THR A 92 11.409 -12.730 -6.302 1.00 0.00 H new ATOM 0 HA THR A 92 10.526 -11.789 -8.901 1.00 0.00 H new ATOM 0 HB THR A 92 8.349 -12.750 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.612 -13.987 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.200 -15.096 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.963 -14.091 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.861 -14.498 -7.842 1.00 0.00 H new ATOM 1359 N GLN A 93 10.140 -9.862 -6.414 1.00 0.00 N ATOM 1360 CA GLN A 93 9.928 -8.516 -5.939 1.00 0.00 C ATOM 1361 C GLN A 93 9.969 -7.491 -7.088 1.00 0.00 C ATOM 1362 O GLN A 93 10.650 -7.681 -8.100 1.00 0.00 O ATOM 1363 CB GLN A 93 11.087 -8.262 -4.964 1.00 0.00 C ATOM 1364 CG GLN A 93 11.202 -9.215 -3.767 1.00 0.00 C ATOM 1365 CD GLN A 93 10.020 -9.118 -2.822 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.911 -8.182 -2.042 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.140 -10.096 -2.856 1.00 0.00 N ATOM 0 H GLN A 93 10.756 -10.370 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 93 8.948 -8.408 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.020 -8.307 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.994 -7.245 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.287 -10.239 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.118 -8.994 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.256 -10.864 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.342 -10.086 -2.221 1.00 0.00 H new ATOM 1376 N GLU A 94 9.289 -6.360 -6.893 1.00 0.00 N ATOM 1377 CA GLU A 94 9.302 -5.197 -7.756 1.00 0.00 C ATOM 1378 C GLU A 94 10.727 -4.638 -7.850 1.00 0.00 C ATOM 1379 O GLU A 94 11.158 -4.225 -8.928 1.00 0.00 O ATOM 1380 CB GLU A 94 8.291 -4.191 -7.175 1.00 0.00 C ATOM 1381 CG GLU A 94 8.572 -2.718 -7.461 1.00 0.00 C ATOM 1382 CD GLU A 94 8.564 -2.329 -8.956 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.904 -3.004 -9.783 1.00 0.00 O ATOM 1384 OE2 GLU A 94 9.186 -1.297 -9.306 1.00 0.00 O ATOM 0 H GLU A 94 8.684 -6.233 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 94 9.007 -5.437 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.302 -4.434 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.251 -4.330 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.829 -2.114 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.544 -2.461 -7.040 1.00 0.00 H new ATOM 1391 N ILE A 95 11.477 -4.682 -6.742 1.00 0.00 N ATOM 1392 CA ILE A 95 12.903 -4.383 -6.727 1.00 0.00 C ATOM 1393 C ILE A 95 13.609 -5.513 -5.999 1.00 0.00 C ATOM 1394 O ILE A 95 13.179 -5.944 -4.925 1.00 0.00 O ATOM 1395 CB ILE A 95 13.236 -3.084 -5.967 1.00 0.00 C ATOM 1396 CG1 ILE A 95 12.749 -1.779 -6.589 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.747 -2.920 -5.692 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.385 -1.377 -7.926 1.00 0.00 C ATOM 0 H ILE A 95 11.102 -4.929 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 95 13.223 -4.268 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 95 12.672 -3.235 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.671 -1.851 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.922 -0.975 -5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.920 -1.988 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.100 -3.757 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.289 -2.900 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.956 -0.434 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.461 -1.261 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.190 -2.151 -8.669 1.00 0.00 H new ATOM 1410 N PHE A 96 14.725 -5.939 -6.572 1.00 0.00 N ATOM 1411 CA PHE A 96 15.677 -6.788 -5.904 1.00 0.00 C ATOM 1412 C PHE A 96 17.008 -6.122 -6.221 1.00 0.00 C ATOM 1413 O PHE A 96 17.343 -5.902 -7.390 1.00 0.00 O ATOM 1414 CB PHE A 96 15.671 -8.268 -6.298 1.00 0.00 C ATOM 1415 CG PHE A 96 16.941 -8.908 -5.768 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.144 -8.929 -4.379 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.005 -9.252 -6.623 1.00 0.00 C ATOM 1418 CE1 PHE A 96 18.393 -9.253 -3.838 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.259 -9.599 -6.084 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.459 -9.582 -4.692 1.00 0.00 C ATOM 0 H PHE A 96 14.990 -5.697 -7.527 1.00 0.00 H new ATOM 0 HA PHE A 96 15.438 -6.858 -4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 96 14.794 -8.767 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 96 15.617 -8.372 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 96 16.324 -8.691 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.860 -9.250 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.537 -9.250 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.069 -9.879 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.429 -9.821 -4.281 1.00 0.00 H new ATOM 1430 N GLU A 97 17.732 -5.775 -5.171 1.00 0.00 N ATOM 1431 CA GLU A 97 19.075 -5.251 -5.252 1.00 0.00 C ATOM 1432 C GLU A 97 19.824 -5.802 -4.040 1.00 0.00 C ATOM 1433 O GLU A 97 19.222 -6.302 -3.083 1.00 0.00 O ATOM 1434 CB GLU A 97 19.043 -3.706 -5.282 1.00 0.00 C ATOM 1435 CG GLU A 97 19.772 -3.092 -6.488 1.00 0.00 C ATOM 1436 CD GLU A 97 21.305 -3.244 -6.427 1.00 0.00 C ATOM 1437 OE1 GLU A 97 21.806 -4.387 -6.546 1.00 0.00 O ATOM 1438 OE2 GLU A 97 22.011 -2.217 -6.277 1.00 0.00 O ATOM 0 H GLU A 97 17.388 -5.854 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 97 19.583 -5.555 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.005 -3.374 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.493 -3.325 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.405 -3.561 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.523 -2.033 -6.552 1.00 0.00 H new ATOM 1445 N ASP A 98 21.138 -5.659 -4.068 1.00 0.00 N ATOM 1446 CA ASP A 98 22.011 -5.916 -2.936 1.00 0.00 C ATOM 1447 C ASP A 98 22.932 -4.706 -2.778 1.00 0.00 C ATOM 1448 O ASP A 98 23.850 -4.493 -3.573 1.00 0.00 O ATOM 1449 CB ASP A 98 22.809 -7.214 -3.038 1.00 0.00 C ATOM 1450 CG ASP A 98 23.547 -7.477 -1.718 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.548 -6.800 -1.389 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.142 -8.412 -0.997 1.00 0.00 O ATOM 0 H ASP A 98 21.640 -5.353 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 98 21.388 -6.057 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.141 -8.045 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.524 -7.148 -3.858 1.00 0.00 H new ATOM 1457 N TRP A 99 22.619 -3.854 -1.806 1.00 0.00 N ATOM 1458 CA TRP A 99 23.357 -2.660 -1.454 1.00 0.00 C ATOM 1459 C TRP A 99 24.600 -3.064 -0.669 1.00 0.00 C ATOM 1460 O TRP A 99 24.634 -2.994 0.557 1.00 0.00 O ATOM 1461 CB TRP A 99 22.420 -1.681 -0.725 1.00 0.00 C ATOM 1462 CG TRP A 99 21.409 -1.015 -1.615 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.169 -1.308 -2.917 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.388 -0.039 -1.247 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.099 -0.576 -3.380 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.522 0.140 -2.363 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.033 0.622 -0.048 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.333 0.864 -2.282 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.825 1.341 0.046 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.971 1.432 -1.058 1.00 0.00 C ATOM 0 H TRP A 99 21.799 -3.992 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 99 23.715 -2.125 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 99 21.894 -2.219 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.022 -0.913 -0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.736 -2.014 -3.506 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.779 -0.567 -4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.695 0.575 0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.703 0.984 -3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.557 1.824 0.974 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.025 1.945 -0.964 1.00 0.00 H new ATOM 1481 N GLN A 100 25.627 -3.480 -1.406 1.00 0.00 N ATOM 1482 CA GLN A 100 26.970 -3.845 -0.962 1.00 0.00 C ATOM 1483 C GLN A 100 27.746 -2.729 -0.219 1.00 0.00 C ATOM 1484 O GLN A 100 28.980 -2.727 -0.245 1.00 0.00 O ATOM 1485 CB GLN A 100 27.780 -4.351 -2.170 1.00 0.00 C ATOM 1486 CG GLN A 100 28.061 -3.321 -3.280 1.00 0.00 C ATOM 1487 CD GLN A 100 26.841 -3.032 -4.151 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.177 -2.010 -4.001 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.499 -3.949 -5.038 1.00 0.00 N ATOM 0 H GLN A 100 25.533 -3.579 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 100 26.838 -4.630 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.734 -4.732 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.247 -5.193 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.405 -2.391 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.872 -3.687 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.065 -4.790 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.669 -3.816 -5.615 1.00 0.00 H new ATOM 1498 N LEU A 101 27.067 -1.736 0.363 1.00 0.00 N ATOM 1499 CA LEU A 101 27.715 -0.541 0.883 1.00 0.00 C ATOM 1500 C LEU A 101 28.622 -0.874 2.063 1.00 0.00 C ATOM 1501 O LEU A 101 28.523 -1.949 2.656 1.00 0.00 O ATOM 1502 CB LEU A 101 26.699 0.557 1.261 1.00 0.00 C ATOM 1503 CG LEU A 101 26.226 1.467 0.112 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.354 2.393 -0.357 1.00 0.00 C ATOM 1505 CD2 LEU A 101 25.715 0.691 -1.106 1.00 0.00 C ATOM 0 H LEU A 101 26.054 -1.743 0.484 1.00 0.00 H new ATOM 0 HA LEU A 101 28.334 -0.143 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.825 0.078 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.143 1.184 2.034 1.00 0.00 H new ATOM 0 HG LEU A 101 25.398 2.043 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 101 26.993 3.024 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.679 3.020 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.194 1.794 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.398 1.393 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.513 0.059 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 101 24.870 0.068 -0.812 1.00 0.00 H new ATOM 1517 N GLU A 102 29.486 0.081 2.401 1.00 0.00 N ATOM 1518 CA GLU A 102 30.584 -0.106 3.324 1.00 0.00 C ATOM 1519 C GLU A 102 30.207 -0.712 4.659 1.00 0.00 C ATOM 1520 O GLU A 102 29.125 -0.504 5.205 1.00 0.00 O ATOM 1521 CB GLU A 102 31.370 1.201 3.503 1.00 0.00 C ATOM 1522 CG GLU A 102 32.576 1.192 2.571 1.00 0.00 C ATOM 1523 CD GLU A 102 33.761 0.386 3.149 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.577 -0.794 3.534 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.887 0.939 3.208 1.00 0.00 O ATOM 0 H GLU A 102 29.433 1.028 2.026 1.00 0.00 H new ATOM 0 HA GLU A 102 31.225 -0.855 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.731 2.056 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.696 1.305 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.286 0.768 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.895 2.217 2.384 1.00 0.00 H new ATOM 1532 N ASP A 103 31.166 -1.477 5.148 1.00 0.00 N ATOM 1533 CA ASP A 103 31.164 -2.212 6.398 1.00 0.00 C ATOM 1534 C ASP A 103 31.516 -1.262 7.553 1.00 0.00 C ATOM 1535 O ASP A 103 32.662 -0.801 7.636 1.00 0.00 O ATOM 1536 CB ASP A 103 32.200 -3.329 6.293 1.00 0.00 C ATOM 1537 CG ASP A 103 32.406 -4.006 7.650 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.434 -4.057 8.444 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.533 -4.503 7.882 1.00 0.00 O ATOM 0 H ASP A 103 32.039 -1.611 4.637 1.00 0.00 H new ATOM 0 HA ASP A 103 30.180 -2.638 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.874 -4.066 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.146 -2.922 5.937 1.00 0.00 H new ATOM 1544 N PRO A 104 30.563 -0.935 8.442 1.00 0.00 N ATOM 1545 CA PRO A 104 30.822 -0.107 9.607 1.00 0.00 C ATOM 1546 C PRO A 104 31.372 -0.919 10.792 1.00 0.00 C ATOM 1547 O PRO A 104 31.750 -0.296 11.777 1.00 0.00 O ATOM 1548 CB PRO A 104 29.458 0.497 9.950 1.00 0.00 C ATOM 1549 CG PRO A 104 28.491 -0.638 9.602 1.00 0.00 C ATOM 1550 CD PRO A 104 29.165 -1.337 8.418 1.00 0.00 C ATOM 0 HA PRO A 104 31.583 0.645 9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.392 0.777 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.255 1.395 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.352 -1.318 10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.506 -0.257 9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.071 -2.420 8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.694 -1.048 7.478 1.00 0.00 H new ATOM 1558 N ASP A 105 31.420 -2.260 10.710 1.00 0.00 N ATOM 1559 CA ASP A 105 31.832 -3.231 11.735 1.00 0.00 C ATOM 1560 C ASP A 105 31.791 -2.669 13.162 1.00 0.00 C ATOM 1561 O ASP A 105 30.713 -2.529 13.741 1.00 0.00 O ATOM 1562 CB ASP A 105 33.211 -3.810 11.384 1.00 0.00 C ATOM 1563 CG ASP A 105 33.623 -4.891 12.394 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.797 -5.784 12.691 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.771 -4.835 12.893 1.00 0.00 O ATOM 0 H ASP A 105 31.147 -2.732 9.848 1.00 0.00 H new ATOM 0 HA ASP A 105 31.099 -4.037 11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.187 -4.234 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.954 -3.012 11.375 1.00 0.00 H new ATOM 1570 N GLY A 106 32.956 -2.300 13.687 1.00 0.00 N ATOM 1571 CA GLY A 106 33.168 -1.549 14.918 1.00 0.00 C ATOM 1572 C GLY A 106 34.136 -0.400 14.613 1.00 0.00 C ATOM 1573 O GLY A 106 35.082 -0.154 15.365 1.00 0.00 O ATOM 0 H GLY A 106 33.837 -2.535 13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.222 -1.160 15.295 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.578 -2.196 15.693 1.00 0.00 H new ATOM 1577 N GLN A 107 33.957 0.217 13.439 1.00 0.00 N ATOM 1578 CA GLN A 107 34.818 1.244 12.873 1.00 0.00 C ATOM 1579 C GLN A 107 34.728 2.563 13.635 1.00 0.00 C ATOM 1580 O GLN A 107 33.999 2.722 14.621 1.00 0.00 O ATOM 1581 CB GLN A 107 34.475 1.454 11.380 1.00 0.00 C ATOM 1582 CG GLN A 107 34.915 0.238 10.552 1.00 0.00 C ATOM 1583 CD GLN A 107 35.751 0.625 9.334 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.866 1.126 9.463 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.244 0.414 8.131 1.00 0.00 N ATOM 0 H GLN A 107 33.166 -0.003 12.833 1.00 0.00 H new ATOM 0 HA GLN A 107 35.847 0.897 12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.402 1.611 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.970 2.352 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.492 -0.437 11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.033 -0.310 10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.318 -0.002 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.779 0.667 7.300 1.00 0.00 H new ATOM 1594 N SER A 108 35.501 3.515 13.124 1.00 0.00 N ATOM 1595 CA SER A 108 35.445 4.904 13.525 1.00 0.00 C ATOM 1596 C SER A 108 34.044 5.449 13.242 1.00 0.00 C ATOM 1597 O SER A 108 33.354 4.986 12.323 1.00 0.00 O ATOM 1598 CB SER A 108 36.545 5.681 12.780 1.00 0.00 C ATOM 1599 OG SER A 108 36.568 5.341 11.398 1.00 0.00 O ATOM 0 H SER A 108 36.198 3.331 12.403 1.00 0.00 H new ATOM 0 HA SER A 108 35.628 5.016 14.594 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.376 6.752 12.891 1.00 0.00 H new ATOM 0 HB3 SER A 108 37.515 5.463 13.227 1.00 0.00 H new ATOM 0 HG SER A 108 37.274 5.850 10.948 1.00 0.00 H new ATOM 1605 N LEU A 109 33.643 6.482 13.988 1.00 0.00 N ATOM 1606 CA LEU A 109 32.366 7.162 13.778 1.00 0.00 C ATOM 1607 C LEU A 109 32.274 7.690 12.354 1.00 0.00 C ATOM 1608 O LEU A 109 31.189 7.747 11.797 1.00 0.00 O ATOM 1609 CB LEU A 109 32.166 8.315 14.776 1.00 0.00 C ATOM 1610 CG LEU A 109 32.051 7.917 16.265 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.583 9.128 17.087 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.114 6.727 16.516 1.00 0.00 C ATOM 0 H LEU A 109 34.195 6.869 14.753 1.00 0.00 H new ATOM 0 HA LEU A 109 31.575 6.431 13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.001 9.008 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.263 8.858 14.496 1.00 0.00 H new ATOM 0 HG LEU A 109 33.045 7.597 16.578 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.502 8.846 18.137 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.304 9.939 16.983 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.610 9.460 16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.084 6.506 17.583 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.111 6.974 16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.481 5.855 15.975 1.00 0.00 H new ATOM 1624 N GLU A 110 33.402 8.037 11.736 1.00 0.00 N ATOM 1625 CA GLU A 110 33.427 8.549 10.373 1.00 0.00 C ATOM 1626 C GLU A 110 32.881 7.524 9.399 1.00 0.00 C ATOM 1627 O GLU A 110 32.119 7.904 8.513 1.00 0.00 O ATOM 1628 CB GLU A 110 34.848 8.940 9.967 1.00 0.00 C ATOM 1629 CG GLU A 110 35.249 10.218 10.695 1.00 0.00 C ATOM 1630 CD GLU A 110 36.642 10.713 10.268 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.652 10.310 10.899 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.741 11.512 9.306 1.00 0.00 O ATOM 0 H GLU A 110 34.323 7.970 12.169 1.00 0.00 H new ATOM 0 HA GLU A 110 32.793 9.435 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.542 8.136 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.902 9.090 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.511 10.995 10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.242 10.040 11.770 1.00 0.00 H new ATOM 1639 N VAL A 111 33.213 6.236 9.549 1.00 0.00 N ATOM 1640 CA VAL A 111 32.663 5.255 8.635 1.00 0.00 C ATOM 1641 C VAL A 111 31.188 5.050 8.935 1.00 0.00 C ATOM 1642 O VAL A 111 30.413 5.019 7.987 1.00 0.00 O ATOM 1643 CB VAL A 111 33.471 3.945 8.637 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.861 2.960 7.626 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.931 4.213 8.242 1.00 0.00 C ATOM 0 H VAL A 111 33.836 5.868 10.268 1.00 0.00 H new ATOM 0 HA VAL A 111 32.745 5.635 7.617 1.00 0.00 H new ATOM 0 HB VAL A 111 33.439 3.523 9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.435 2.033 7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.828 2.748 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.887 3.399 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.488 3.276 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.964 4.647 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.379 4.906 8.954 1.00 0.00 H new ATOM 1655 N PHE A 112 30.765 5.008 10.201 1.00 0.00 N ATOM 1656 CA PHE A 112 29.334 5.032 10.514 1.00 0.00 C ATOM 1657 C PHE A 112 28.623 6.201 9.807 1.00 0.00 C ATOM 1658 O PHE A 112 27.654 5.968 9.086 1.00 0.00 O ATOM 1659 CB PHE A 112 29.090 5.086 12.024 1.00 0.00 C ATOM 1660 CG PHE A 112 29.136 3.758 12.756 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.361 3.134 13.054 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.934 3.168 13.193 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.385 1.930 13.778 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.962 1.980 13.940 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.187 1.351 14.225 1.00 0.00 C ATOM 0 H PHE A 112 31.380 4.958 11.013 1.00 0.00 H new ATOM 0 HA PHE A 112 28.908 4.101 10.139 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.833 5.748 12.468 1.00 0.00 H new ATOM 0 HB3 PHE A 112 28.114 5.540 12.198 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.287 3.582 12.725 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.988 3.631 12.953 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.328 1.449 13.991 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.039 1.547 14.297 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.206 0.428 14.785 1.00 0.00 H new ATOM 1675 N ARG A 113 29.129 7.437 9.932 1.00 0.00 N ATOM 1676 CA ARG A 113 28.546 8.623 9.284 1.00 0.00 C ATOM 1677 C ARG A 113 28.524 8.462 7.771 1.00 0.00 C ATOM 1678 O ARG A 113 27.530 8.789 7.127 1.00 0.00 O ATOM 1679 CB ARG A 113 29.357 9.897 9.600 1.00 0.00 C ATOM 1680 CG ARG A 113 29.257 10.374 11.058 1.00 0.00 C ATOM 1681 CD ARG A 113 29.968 11.716 11.245 1.00 0.00 C ATOM 1682 NE ARG A 113 29.772 12.230 12.612 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.659 12.925 13.336 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.849 13.265 12.840 1.00 0.00 N ATOM 1685 NH2 ARG A 113 30.343 13.281 14.572 1.00 0.00 N ATOM 0 H ARG A 113 29.959 7.644 10.488 1.00 0.00 H new ATOM 0 HA ARG A 113 27.533 8.719 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.405 9.713 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 113 29.018 10.699 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 113 28.209 10.471 11.342 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.699 9.629 11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.033 11.598 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.586 12.438 10.523 1.00 0.00 H new ATOM 0 HE ARG A 113 28.871 12.037 13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 113 32.101 12.996 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 113 32.507 13.795 13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 113 29.435 13.026 14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 113 31.008 13.810 15.136 1.00 0.00 H new ATOM 1699 N THR A 114 29.619 7.976 7.203 1.00 0.00 N ATOM 1700 CA THR A 114 29.747 7.871 5.767 1.00 0.00 C ATOM 1701 C THR A 114 28.752 6.829 5.265 1.00 0.00 C ATOM 1702 O THR A 114 28.027 7.091 4.307 1.00 0.00 O ATOM 1703 CB THR A 114 31.197 7.510 5.397 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.085 8.513 5.859 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.392 7.362 3.885 1.00 0.00 C ATOM 0 H THR A 114 30.433 7.648 7.723 1.00 0.00 H new ATOM 0 HA THR A 114 29.520 8.824 5.289 1.00 0.00 H new ATOM 0 HB THR A 114 31.410 6.553 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.116 8.497 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.431 7.107 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.742 6.572 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.142 8.302 3.392 1.00 0.00 H new ATOM 1713 N VAL A 115 28.668 5.671 5.919 1.00 0.00 N ATOM 1714 CA VAL A 115 27.862 4.558 5.432 1.00 0.00 C ATOM 1715 C VAL A 115 26.409 4.998 5.465 1.00 0.00 C ATOM 1716 O VAL A 115 25.714 4.922 4.457 1.00 0.00 O ATOM 1717 CB VAL A 115 28.129 3.302 6.293 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.105 2.177 6.072 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.503 2.719 5.962 1.00 0.00 C ATOM 0 H VAL A 115 29.154 5.481 6.795 1.00 0.00 H new ATOM 0 HA VAL A 115 28.121 4.288 4.408 1.00 0.00 H new ATOM 0 HB VAL A 115 28.062 3.641 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.354 1.328 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.108 2.538 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.126 1.866 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.680 1.835 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.537 2.443 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.273 3.463 6.167 1.00 0.00 H new ATOM 1729 N ARG A 116 25.990 5.556 6.600 1.00 0.00 N ATOM 1730 CA ARG A 116 24.715 6.236 6.785 1.00 0.00 C ATOM 1731 C ARG A 116 24.406 7.164 5.610 1.00 0.00 C ATOM 1732 O ARG A 116 23.360 6.998 5.000 1.00 0.00 O ATOM 1733 CB ARG A 116 24.840 6.948 8.139 1.00 0.00 C ATOM 1734 CG ARG A 116 23.752 7.944 8.532 1.00 0.00 C ATOM 1735 CD ARG A 116 24.269 8.734 9.731 1.00 0.00 C ATOM 1736 NE ARG A 116 24.910 10.008 9.327 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.531 10.868 10.149 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.540 10.658 11.452 1.00 0.00 N ATOM 1739 NH2 ARG A 116 26.165 11.924 9.657 1.00 0.00 N ATOM 0 H ARG A 116 26.555 5.544 7.449 1.00 0.00 H new ATOM 0 HA ARG A 116 23.864 5.555 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.888 6.183 8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.794 7.475 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.525 8.612 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.828 7.424 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.442 8.944 10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.987 8.127 10.282 1.00 0.00 H new ATOM 0 HE ARG A 116 24.876 10.252 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.073 9.838 11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 116 26.014 11.316 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.182 12.085 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.636 12.575 10.286 1.00 0.00 H new ATOM 1753 N GLY A 117 25.292 8.082 5.234 1.00 0.00 N ATOM 1754 CA GLY A 117 24.985 9.019 4.154 1.00 0.00 C ATOM 1755 C GLY A 117 24.834 8.324 2.801 1.00 0.00 C ATOM 1756 O GLY A 117 23.913 8.624 2.049 1.00 0.00 O ATOM 0 H GLY A 117 26.215 8.198 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.064 9.551 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.777 9.765 4.089 1.00 0.00 H new ATOM 1760 N GLN A 118 25.675 7.343 2.490 1.00 0.00 N ATOM 1761 CA GLN A 118 25.579 6.599 1.239 1.00 0.00 C ATOM 1762 C GLN A 118 24.286 5.783 1.206 1.00 0.00 C ATOM 1763 O GLN A 118 23.619 5.702 0.175 1.00 0.00 O ATOM 1764 CB GLN A 118 26.818 5.706 1.086 1.00 0.00 C ATOM 1765 CG GLN A 118 28.100 6.555 1.053 1.00 0.00 C ATOM 1766 CD GLN A 118 29.384 5.719 1.026 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.480 4.663 1.649 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.414 6.177 0.328 1.00 0.00 N ATOM 0 H GLN A 118 26.439 7.042 3.095 1.00 0.00 H new ATOM 0 HA GLN A 118 25.548 7.291 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.866 4.998 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.740 5.121 0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.077 7.200 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.118 7.206 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.331 7.053 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.289 5.653 0.307 1.00 0.00 H new ATOM 1777 N VAL A 119 23.891 5.236 2.354 1.00 0.00 N ATOM 1778 CA VAL A 119 22.618 4.560 2.521 1.00 0.00 C ATOM 1779 C VAL A 119 21.500 5.575 2.301 1.00 0.00 C ATOM 1780 O VAL A 119 20.563 5.250 1.590 1.00 0.00 O ATOM 1781 CB VAL A 119 22.550 3.873 3.900 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.144 3.368 4.225 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.482 2.649 3.953 1.00 0.00 C ATOM 0 H VAL A 119 24.458 5.253 3.202 1.00 0.00 H new ATOM 0 HA VAL A 119 22.501 3.765 1.785 1.00 0.00 H new ATOM 0 HB VAL A 119 22.851 4.632 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.146 2.892 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.448 4.207 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.834 2.644 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.415 2.183 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.183 1.931 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.509 2.966 3.771 1.00 0.00 H new ATOM 1793 N LYS A 120 21.573 6.798 2.836 1.00 0.00 N ATOM 1794 CA LYS A 120 20.471 7.759 2.725 1.00 0.00 C ATOM 1795 C LYS A 120 20.143 8.040 1.267 1.00 0.00 C ATOM 1796 O LYS A 120 18.979 8.126 0.895 1.00 0.00 O ATOM 1797 CB LYS A 120 20.746 9.023 3.570 1.00 0.00 C ATOM 1798 CG LYS A 120 21.475 10.231 2.936 1.00 0.00 C ATOM 1799 CD LYS A 120 20.605 11.494 2.832 1.00 0.00 C ATOM 1800 CE LYS A 120 19.440 11.342 1.834 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.657 12.603 1.692 1.00 0.00 N ATOM 0 H LYS A 120 22.383 7.146 3.350 1.00 0.00 H new ATOM 0 HA LYS A 120 19.569 7.320 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.785 9.381 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.327 8.713 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.362 10.459 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.818 9.954 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.204 11.734 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.229 12.334 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.833 11.048 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.780 10.541 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.844 12.438 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.317 12.908 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.263 13.344 1.286 1.00 0.00 H new ATOM 1815 N GLU A 121 21.173 8.155 0.441 1.00 0.00 N ATOM 1816 CA GLU A 121 21.084 8.426 -0.966 1.00 0.00 C ATOM 1817 C GLU A 121 20.535 7.189 -1.680 1.00 0.00 C ATOM 1818 O GLU A 121 19.615 7.329 -2.485 1.00 0.00 O ATOM 1819 CB GLU A 121 22.524 8.825 -1.349 1.00 0.00 C ATOM 1820 CG GLU A 121 22.958 8.568 -2.784 1.00 0.00 C ATOM 1821 CD GLU A 121 22.238 9.419 -3.849 1.00 0.00 C ATOM 1822 OE1 GLU A 121 21.533 10.400 -3.506 1.00 0.00 O ATOM 1823 OE2 GLU A 121 22.365 9.098 -5.056 1.00 0.00 O ATOM 0 H GLU A 121 22.136 8.055 0.761 1.00 0.00 H new ATOM 0 HA GLU A 121 20.397 9.223 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.645 9.889 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.209 8.293 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.030 8.749 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.796 7.515 -3.013 1.00 0.00 H new ATOM 1830 N ARG A 122 21.003 5.973 -1.369 1.00 0.00 N ATOM 1831 CA ARG A 122 20.438 4.777 -2.002 1.00 0.00 C ATOM 1832 C ARG A 122 18.992 4.556 -1.589 1.00 0.00 C ATOM 1833 O ARG A 122 18.162 4.285 -2.451 1.00 0.00 O ATOM 1834 CB ARG A 122 21.282 3.529 -1.717 1.00 0.00 C ATOM 1835 CG ARG A 122 22.545 3.468 -2.604 1.00 0.00 C ATOM 1836 CD ARG A 122 22.820 2.022 -3.020 1.00 0.00 C ATOM 1837 NE ARG A 122 23.879 1.927 -4.048 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.967 0.964 -4.983 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.037 0.018 -5.035 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.968 0.956 -5.855 1.00 0.00 N ATOM 0 H ARG A 122 21.752 5.794 -0.700 1.00 0.00 H new ATOM 0 HA ARG A 122 20.457 4.951 -3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.576 3.522 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.678 2.637 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.409 4.090 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.401 3.868 -2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.114 1.444 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.903 1.576 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 122 24.600 2.649 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.264 0.026 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.095 -0.716 -5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.680 1.685 -5.820 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.025 0.221 -6.560 1.00 0.00 H new ATOM 1854 N VAL A 123 18.658 4.744 -0.317 1.00 0.00 N ATOM 1855 CA VAL A 123 17.300 4.695 0.167 1.00 0.00 C ATOM 1856 C VAL A 123 16.459 5.654 -0.649 1.00 0.00 C ATOM 1857 O VAL A 123 15.436 5.256 -1.200 1.00 0.00 O ATOM 1858 CB VAL A 123 17.322 5.015 1.670 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.927 5.265 2.208 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.906 3.868 2.500 1.00 0.00 C ATOM 0 H VAL A 123 19.343 4.938 0.413 1.00 0.00 H new ATOM 0 HA VAL A 123 16.849 3.709 0.050 1.00 0.00 H new ATOM 0 HB VAL A 123 17.944 5.906 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.983 5.488 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.481 6.110 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.313 4.377 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.900 4.142 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.304 2.971 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.930 3.673 2.182 1.00 0.00 H new ATOM 1870 N GLU A 124 16.909 6.889 -0.798 1.00 0.00 N ATOM 1871 CA GLU A 124 16.139 7.889 -1.494 1.00 0.00 C ATOM 1872 C GLU A 124 15.994 7.568 -2.984 1.00 0.00 C ATOM 1873 O GLU A 124 14.925 7.795 -3.550 1.00 0.00 O ATOM 1874 CB GLU A 124 16.793 9.227 -1.196 1.00 0.00 C ATOM 1875 CG GLU A 124 15.965 10.382 -1.740 1.00 0.00 C ATOM 1876 CD GLU A 124 16.581 11.745 -1.384 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.712 12.056 -0.176 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.941 12.512 -2.308 1.00 0.00 O ATOM 0 H GLU A 124 17.807 7.217 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 124 15.107 7.916 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.917 9.341 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.790 9.253 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.884 10.292 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.953 10.325 -1.338 1.00 0.00 H new ATOM 1885 N ASN A 125 17.010 6.967 -3.607 1.00 0.00 N ATOM 1886 CA ASN A 125 16.931 6.509 -4.989 1.00 0.00 C ATOM 1887 C ASN A 125 15.847 5.452 -5.136 1.00 0.00 C ATOM 1888 O ASN A 125 15.025 5.533 -6.045 1.00 0.00 O ATOM 1889 CB ASN A 125 18.255 5.906 -5.480 1.00 0.00 C ATOM 1890 CG ASN A 125 19.209 6.937 -6.075 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.345 7.051 -7.293 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.883 7.703 -5.239 1.00 0.00 N ATOM 0 H ASN A 125 17.911 6.786 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 125 16.700 7.387 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.748 5.405 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.042 5.144 -6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.530 8.405 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.757 7.594 -4.233 1.00 0.00 H new ATOM 1899 N LEU A 126 15.840 4.452 -4.248 1.00 0.00 N ATOM 1900 CA LEU A 126 14.831 3.397 -4.245 1.00 0.00 C ATOM 1901 C LEU A 126 13.452 4.004 -4.062 1.00 0.00 C ATOM 1902 O LEU A 126 12.547 3.696 -4.827 1.00 0.00 O ATOM 1903 CB LEU A 126 15.224 2.343 -3.195 1.00 0.00 C ATOM 1904 CG LEU A 126 14.128 1.621 -2.381 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.399 0.124 -2.371 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.092 2.051 -0.907 1.00 0.00 C ATOM 0 H LEU A 126 16.538 4.355 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 126 14.786 2.875 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.806 1.577 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.891 2.828 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 126 13.184 1.879 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.624 -0.382 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.397 -0.253 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.371 -0.067 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.301 1.508 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.051 1.828 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.898 3.122 -0.845 1.00 0.00 H new ATOM 1918 N ILE A 127 13.322 4.920 -3.114 1.00 0.00 N ATOM 1919 CA ILE A 127 12.084 5.619 -2.800 1.00 0.00 C ATOM 1920 C ILE A 127 11.572 6.363 -4.031 1.00 0.00 C ATOM 1921 O ILE A 127 10.381 6.289 -4.320 1.00 0.00 O ATOM 1922 CB ILE A 127 12.369 6.522 -1.599 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.259 5.593 -0.383 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.466 7.742 -1.430 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.033 6.153 0.785 1.00 0.00 C ATOM 0 H ILE A 127 14.101 5.207 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 127 11.280 4.934 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 127 13.349 6.980 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.212 5.469 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.640 4.604 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.770 8.300 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.551 8.382 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.432 7.416 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.943 5.480 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.083 6.253 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.633 7.131 1.051 1.00 0.00 H new ATOM 1937 N ALA A 128 12.456 7.020 -4.787 1.00 0.00 N ATOM 1938 CA ALA A 128 12.066 7.739 -5.986 1.00 0.00 C ATOM 1939 C ALA A 128 11.420 6.815 -7.029 1.00 0.00 C ATOM 1940 O ALA A 128 10.583 7.272 -7.812 1.00 0.00 O ATOM 1941 CB ALA A 128 13.274 8.496 -6.552 1.00 0.00 C ATOM 0 H ALA A 128 13.454 7.064 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 128 11.300 8.466 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.977 9.034 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.640 9.205 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.065 7.787 -6.798 1.00 0.00 H new ATOM 1947 N LYS A 129 11.779 5.525 -7.047 1.00 0.00 N ATOM 1948 CA LYS A 129 11.146 4.540 -7.908 1.00 0.00 C ATOM 1949 C LYS A 129 9.765 4.130 -7.387 1.00 0.00 C ATOM 1950 O LYS A 129 8.837 4.011 -8.188 1.00 0.00 O ATOM 1951 CB LYS A 129 12.037 3.299 -8.063 1.00 0.00 C ATOM 1952 CG LYS A 129 13.435 3.614 -8.595 1.00 0.00 C ATOM 1953 CD LYS A 129 14.286 2.348 -8.492 1.00 0.00 C ATOM 1954 CE LYS A 129 15.757 2.634 -8.803 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.021 2.897 -10.249 1.00 0.00 N ATOM 0 H LYS A 129 12.520 5.142 -6.460 1.00 0.00 H new ATOM 0 HA LYS A 129 11.012 5.007 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.128 2.804 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.551 2.594 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.380 3.951 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.887 4.423 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.200 1.931 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.906 1.596 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.082 3.496 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.360 1.785 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.035 3.083 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.741 2.067 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.472 3.725 -10.557 1.00 0.00 H new ATOM 1969 N ILE A 130 9.624 3.895 -6.075 1.00 0.00 N ATOM 1970 CA ILE A 130 8.432 3.287 -5.507 1.00 0.00 C ATOM 1971 C ILE A 130 7.346 4.256 -5.041 1.00 0.00 C ATOM 1972 O ILE A 130 6.170 3.917 -5.188 1.00 0.00 O ATOM 1973 CB ILE A 130 8.788 2.256 -4.413 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.724 2.728 -3.281 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.241 0.949 -5.087 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.291 1.599 -2.399 1.00 0.00 C ATOM 0 H ILE A 130 10.339 4.125 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 130 7.973 2.767 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 130 7.871 2.087 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.555 3.278 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.180 3.427 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.495 0.214 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.434 0.562 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.116 1.144 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.937 2.026 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.470 1.061 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.867 0.910 -3.016 1.00 0.00 H new ATOM 1988 N SER A 131 7.677 5.404 -4.463 1.00 0.00 N ATOM 1989 CA SER A 131 6.677 6.361 -4.017 1.00 0.00 C ATOM 1990 C SER A 131 5.914 6.933 -5.217 1.00 0.00 C ATOM 1991 O SER A 131 6.551 7.279 -6.241 1.00 0.00 O ATOM 1992 CB SER A 131 7.312 7.469 -3.187 1.00 0.00 C ATOM 1993 OG SER A 131 8.021 6.909 -2.087 1.00 0.00 O ATOM 1994 OXT SER A 131 4.670 7.046 -5.129 1.00 0.00 O ATOM 0 H SER A 131 8.640 5.695 -4.292 1.00 0.00 H new ATOM 0 HA SER A 131 5.964 5.841 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.990 8.055 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.542 8.150 -2.825 1.00 0.00 H new ATOM 0 HG SER A 131 8.291 7.624 -1.474 1.00 0.00 H new