USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 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 81 LYS NZ :NH3+ -161:sc= -0.775 (180deg=0) USER MOD Set 1.2: A 89 MET CE :methyl 176:sc= -1.29 (180deg=-0.539) USER MOD Set 2.1: A 31 ASN : amide:sc= -1.31 K(o=-1.3,f=-1.8) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 102 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.46) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -1.73 (180deg=-4.9!) USER MOD Single : A 30 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.1!) USER MOD Single : A 36 SER OG : rot 53:sc= -1.96 USER MOD Single : A 42 GLN : amide:sc= -0.0642 K(o=-0.064,f=-0.65) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.052 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.41) USER MOD Single : A 56 THR OG1 : rot -86:sc= 1.12 USER MOD Single : A 63 THR OG1 : rot -140:sc= 0 USER MOD Single : A 71 THR OG1 : rot -52:sc= -0.276 USER MOD Single : A 74 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= -0.677 (180deg=-2.36!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2!) USER MOD Single : A 100 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-2.9) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.672 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot -70:sc= 0.171 USER MOD Single : B 124 LYS NZ :NH3+ -149:sc= -1.22 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 0.075 -9.105 -8.774 1.00 0.00 N ATOM 2 CA THR A 18 0.053 -7.856 -8.020 1.00 0.00 C ATOM 3 C THR A 18 -0.207 -6.671 -8.943 1.00 0.00 C ATOM 4 O THR A 18 -0.381 -6.837 -10.150 1.00 0.00 O ATOM 5 CB THR A 18 1.375 -7.658 -7.277 1.00 0.00 C ATOM 6 OG1 THR A 18 2.400 -7.266 -8.171 1.00 0.00 O ATOM 7 CG2 THR A 18 1.846 -8.901 -6.553 1.00 0.00 C ATOM 0 HA THR A 18 -0.757 -7.914 -7.293 1.00 0.00 H new ATOM 0 HB THR A 18 1.178 -6.880 -6.539 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.237 -7.143 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.789 -8.692 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.098 -9.200 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.991 -9.708 -7.272 1.00 0.00 H new ATOM 15 N VAL A 19 -0.232 -5.473 -8.367 1.00 0.00 N ATOM 16 CA VAL A 19 -0.470 -4.259 -9.139 1.00 0.00 C ATOM 17 C VAL A 19 0.485 -3.143 -8.718 1.00 0.00 C ATOM 18 O VAL A 19 0.182 -2.365 -7.812 1.00 0.00 O ATOM 19 CB VAL A 19 -1.921 -3.768 -8.976 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.206 -2.613 -9.927 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.899 -4.910 -9.200 1.00 0.00 C ATOM 0 H VAL A 19 -0.090 -5.317 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.293 -4.508 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.051 -3.406 -7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.236 -2.280 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.528 -1.788 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.059 -2.943 -10.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.919 -4.544 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.771 -5.306 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.709 -5.699 -8.473 1.00 0.00 H new ATOM 31 N PRO A 20 1.656 -3.051 -9.374 1.00 0.00 N ATOM 32 CA PRO A 20 2.654 -2.023 -9.062 1.00 0.00 C ATOM 33 C PRO A 20 2.060 -0.618 -9.051 1.00 0.00 C ATOM 34 O PRO A 20 1.782 -0.044 -10.104 1.00 0.00 O ATOM 35 CB PRO A 20 3.673 -2.164 -10.195 1.00 0.00 C ATOM 36 CG PRO A 20 3.544 -3.577 -10.648 1.00 0.00 C ATOM 37 CD PRO A 20 2.096 -3.938 -10.467 1.00 0.00 C ATOM 0 HA PRO A 20 3.079 -2.157 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.462 -1.467 -11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.684 -1.951 -9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.845 -3.682 -11.690 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.187 -4.235 -10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.523 -3.768 -11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.974 -4.989 -10.205 1.00 0.00 H new ATOM 45 N GLY A 21 1.869 -0.072 -7.855 1.00 0.00 N ATOM 46 CA GLY A 21 1.310 1.260 -7.729 1.00 0.00 C ATOM 47 C GLY A 21 2.024 2.090 -6.679 1.00 0.00 C ATOM 48 O GLY A 21 2.266 1.622 -5.568 1.00 0.00 O ATOM 0 H GLY A 21 2.092 -0.529 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.369 1.768 -8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.253 1.185 -7.472 1.00 0.00 H new ATOM 52 N LYS A 22 2.360 3.326 -7.033 1.00 0.00 N ATOM 53 CA LYS A 22 3.050 4.224 -6.115 1.00 0.00 C ATOM 54 C LYS A 22 2.191 5.443 -5.796 1.00 0.00 C ATOM 55 O LYS A 22 1.540 6.003 -6.678 1.00 0.00 O ATOM 56 CB LYS A 22 4.387 4.671 -6.712 1.00 0.00 C ATOM 57 CG LYS A 22 4.241 5.506 -7.974 1.00 0.00 C ATOM 58 CD LYS A 22 5.533 6.234 -8.316 1.00 0.00 C ATOM 59 CE LYS A 22 5.285 7.706 -8.606 1.00 0.00 C ATOM 60 NZ LYS A 22 6.095 8.190 -9.758 1.00 0.00 N ATOM 0 H LYS A 22 2.165 3.729 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 22 3.237 3.681 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.934 5.248 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.988 3.790 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.954 4.863 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.438 6.231 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.235 6.139 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.997 5.765 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.227 7.861 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.524 8.296 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.897 9.198 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.106 8.066 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.849 7.645 -10.609 1.00 0.00 H new ATOM 74 N VAL A 23 2.194 5.850 -4.531 1.00 0.00 N ATOM 75 CA VAL A 23 1.416 7.003 -4.096 1.00 0.00 C ATOM 76 C VAL A 23 2.313 8.063 -3.465 1.00 0.00 C ATOM 77 O VAL A 23 3.277 7.741 -2.770 1.00 0.00 O ATOM 78 CB VAL A 23 0.323 6.596 -3.086 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.942 5.995 -1.835 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.554 7.790 -2.736 1.00 0.00 C ATOM 0 H VAL A 23 2.727 5.397 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 23 0.939 7.418 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.305 5.836 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.153 5.715 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.519 5.110 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.599 6.728 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.319 7.483 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.060 8.575 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.032 8.168 -3.640 1.00 0.00 H new ATOM 90 N THR A 24 1.993 9.328 -3.714 1.00 0.00 N ATOM 91 CA THR A 24 2.771 10.435 -3.170 1.00 0.00 C ATOM 92 C THR A 24 2.149 10.955 -1.880 1.00 0.00 C ATOM 93 O THR A 24 1.430 11.956 -1.884 1.00 0.00 O ATOM 94 CB THR A 24 2.870 11.567 -4.193 1.00 0.00 C ATOM 95 OG1 THR A 24 3.374 11.085 -5.427 1.00 0.00 O ATOM 96 CG2 THR A 24 3.764 12.704 -3.745 1.00 0.00 C ATOM 0 H THR A 24 1.200 9.612 -4.289 1.00 0.00 H new ATOM 0 HA THR A 24 3.772 10.067 -2.947 1.00 0.00 H new ATOM 0 HB THR A 24 1.854 11.947 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.428 11.823 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.790 13.473 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.374 13.131 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.773 12.328 -3.574 1.00 0.00 H new ATOM 104 N LEU A 25 2.430 10.271 -0.776 1.00 0.00 N ATOM 105 CA LEU A 25 1.899 10.666 0.525 1.00 0.00 C ATOM 106 C LEU A 25 2.645 11.880 1.068 1.00 0.00 C ATOM 107 O LEU A 25 3.671 12.285 0.522 1.00 0.00 O ATOM 108 CB LEU A 25 2.001 9.506 1.515 1.00 0.00 C ATOM 109 CG LEU A 25 1.063 8.329 1.233 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.732 7.013 1.599 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.243 8.495 1.996 1.00 0.00 C ATOM 0 H LEU A 25 3.022 9.441 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 25 0.850 10.932 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.028 9.140 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.794 9.884 2.516 1.00 0.00 H new ATOM 0 HG LEU A 25 0.839 8.315 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.050 6.188 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.640 6.890 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.986 7.016 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.898 7.650 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.037 8.535 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.731 9.419 1.685 1.00 0.00 H new ATOM 123 N GLN A 26 2.123 12.458 2.144 1.00 0.00 N ATOM 124 CA GLN A 26 2.743 13.627 2.758 1.00 0.00 C ATOM 125 C GLN A 26 3.027 13.378 4.236 1.00 0.00 C ATOM 126 O GLN A 26 2.312 12.625 4.897 1.00 0.00 O ATOM 127 CB GLN A 26 1.839 14.853 2.603 1.00 0.00 C ATOM 128 CG GLN A 26 1.980 15.547 1.257 1.00 0.00 C ATOM 129 CD GLN A 26 1.003 15.021 0.226 1.00 0.00 C ATOM 130 OE1 GLN A 26 -0.211 15.051 0.430 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.528 14.533 -0.893 1.00 0.00 N ATOM 0 H GLN A 26 1.274 12.137 2.609 1.00 0.00 H new ATOM 0 HA GLN A 26 3.688 13.814 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.801 14.548 2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.068 15.565 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.824 16.618 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.997 15.415 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.540 14.527 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.919 14.164 -1.624 1.00 0.00 H new ATOM 140 N LYS A 27 4.076 14.014 4.748 1.00 0.00 N ATOM 141 CA LYS A 27 4.454 13.860 6.148 1.00 0.00 C ATOM 142 C LYS A 27 3.428 14.519 7.064 1.00 0.00 C ATOM 143 O LYS A 27 2.948 15.618 6.786 1.00 0.00 O ATOM 144 CB LYS A 27 5.837 14.464 6.394 1.00 0.00 C ATOM 145 CG LYS A 27 6.979 13.585 5.911 1.00 0.00 C ATOM 146 CD LYS A 27 7.328 12.516 6.932 1.00 0.00 C ATOM 147 CE LYS A 27 8.022 11.329 6.282 1.00 0.00 C ATOM 148 NZ LYS A 27 7.580 10.035 6.869 1.00 0.00 N ATOM 0 H LYS A 27 4.679 14.640 4.215 1.00 0.00 H new ATOM 0 HA LYS A 27 4.485 12.794 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.897 15.430 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.959 14.650 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.703 13.113 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.856 14.202 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.975 12.942 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.420 12.179 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.817 11.331 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.101 11.431 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.402 9.534 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.889 10.215 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.140 9.451 6.130 1.00 0.00 H new ATOM 162 N ASP A 28 3.097 13.842 8.158 1.00 0.00 N ATOM 163 CA ASP A 28 2.128 14.362 9.116 1.00 0.00 C ATOM 164 C ASP A 28 2.769 15.403 10.028 1.00 0.00 C ATOM 165 O ASP A 28 3.936 15.755 9.859 1.00 0.00 O ATOM 166 CB ASP A 28 1.547 13.222 9.953 1.00 0.00 C ATOM 167 CG ASP A 28 0.083 13.434 10.287 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.407 14.570 10.113 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.575 12.464 10.722 1.00 0.00 O ATOM 0 H ASP A 28 3.486 12.931 8.404 1.00 0.00 H new ATOM 0 HA ASP A 28 1.323 14.841 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.660 12.283 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.117 13.127 10.877 1.00 0.00 H new ATOM 174 N ALA A 29 1.998 15.890 10.994 1.00 0.00 N ATOM 175 CA ALA A 29 2.489 16.890 11.935 1.00 0.00 C ATOM 176 C ALA A 29 3.718 16.386 12.685 1.00 0.00 C ATOM 177 O ALA A 29 4.547 17.175 13.138 1.00 0.00 O ATOM 178 CB ALA A 29 1.393 17.277 12.916 1.00 0.00 C ATOM 0 H ALA A 29 1.030 15.608 11.146 1.00 0.00 H new ATOM 0 HA ALA A 29 2.781 17.773 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.775 18.024 13.612 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.545 17.690 12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.073 16.395 13.470 1.00 0.00 H new ATOM 184 N GLN A 30 3.834 15.066 12.807 1.00 0.00 N ATOM 185 CA GLN A 30 4.966 14.460 13.503 1.00 0.00 C ATOM 186 C GLN A 30 5.977 13.901 12.505 1.00 0.00 C ATOM 187 O GLN A 30 6.743 12.994 12.829 1.00 0.00 O ATOM 188 CB GLN A 30 4.498 13.343 14.450 1.00 0.00 C ATOM 189 CG GLN A 30 2.985 13.189 14.544 1.00 0.00 C ATOM 190 CD GLN A 30 2.413 12.350 13.418 1.00 0.00 C ATOM 191 OE1 GLN A 30 3.124 11.970 12.488 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.120 12.055 13.498 1.00 0.00 N ATOM 0 H GLN A 30 3.160 14.397 12.434 1.00 0.00 H new ATOM 0 HA GLN A 30 5.446 15.240 14.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.927 12.398 14.117 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.893 13.539 15.447 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.729 12.731 15.499 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.521 14.175 14.529 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.568 12.391 14.287 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.679 11.492 12.770 1.00 0.00 H new ATOM 201 N ASN A 31 5.974 14.446 11.291 1.00 0.00 N ATOM 202 CA ASN A 31 6.893 13.997 10.249 1.00 0.00 C ATOM 203 C ASN A 31 6.790 12.488 10.045 1.00 0.00 C ATOM 204 O ASN A 31 7.766 11.835 9.677 1.00 0.00 O ATOM 205 CB ASN A 31 8.330 14.380 10.607 1.00 0.00 C ATOM 206 CG ASN A 31 9.258 14.321 9.410 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.062 15.030 8.422 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.276 13.473 9.492 1.00 0.00 N ATOM 0 H ASN A 31 5.347 15.198 11.005 1.00 0.00 H new ATOM 0 HA ASN A 31 6.615 14.490 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.342 15.387 11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.699 13.710 11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.934 13.390 8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.400 12.905 10.330 1.00 0.00 H new ATOM 215 N LEU A 32 5.604 11.943 10.292 1.00 0.00 N ATOM 216 CA LEU A 32 5.376 10.511 10.138 1.00 0.00 C ATOM 217 C LEU A 32 4.075 10.241 9.390 1.00 0.00 C ATOM 218 O LEU A 32 2.986 10.469 9.916 1.00 0.00 O ATOM 219 CB LEU A 32 5.338 9.832 11.509 1.00 0.00 C ATOM 220 CG LEU A 32 6.644 9.895 12.301 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.364 9.853 13.795 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.567 8.755 11.897 1.00 0.00 C ATOM 0 H LEU A 32 4.787 12.470 10.599 1.00 0.00 H new ATOM 0 HA LEU A 32 6.200 10.099 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.548 10.292 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.065 8.786 11.371 1.00 0.00 H new ATOM 0 HG LEU A 32 7.141 10.837 12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.305 9.899 14.343 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.741 10.703 14.072 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.845 8.927 14.042 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.492 8.815 12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.077 7.802 12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.794 8.830 10.834 1.00 0.00 H new ATOM 234 N ILE A 33 4.195 9.751 8.161 1.00 0.00 N ATOM 235 CA ILE A 33 3.027 9.446 7.341 1.00 0.00 C ATOM 236 C ILE A 33 2.099 8.465 8.048 1.00 0.00 C ATOM 237 O ILE A 33 0.888 8.469 7.824 1.00 0.00 O ATOM 238 CB ILE A 33 3.434 8.857 5.975 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.459 7.737 6.159 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.992 9.946 5.072 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.773 6.992 4.881 1.00 0.00 C ATOM 0 H ILE A 33 5.089 9.556 7.710 1.00 0.00 H new ATOM 0 HA ILE A 33 2.502 10.387 7.180 1.00 0.00 H new ATOM 0 HB ILE A 33 2.546 8.437 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.380 8.160 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.085 7.030 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.274 9.514 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.233 10.713 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.869 10.393 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.507 6.212 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.862 6.539 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.177 7.687 4.145 1.00 0.00 H new ATOM 253 N GLY A 34 2.672 7.630 8.909 1.00 0.00 N ATOM 254 CA GLY A 34 1.880 6.661 9.642 1.00 0.00 C ATOM 255 C GLY A 34 1.634 5.388 8.856 1.00 0.00 C ATOM 256 O GLY A 34 0.593 5.240 8.216 1.00 0.00 O ATOM 0 H GLY A 34 3.671 7.608 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.388 6.414 10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.923 7.108 9.909 1.00 0.00 H new ATOM 260 N ILE A 35 2.590 4.466 8.909 1.00 0.00 N ATOM 261 CA ILE A 35 2.471 3.195 8.204 1.00 0.00 C ATOM 262 C ILE A 35 3.439 2.164 8.773 1.00 0.00 C ATOM 263 O ILE A 35 4.650 2.382 8.795 1.00 0.00 O ATOM 264 CB ILE A 35 2.739 3.350 6.693 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.006 4.171 6.457 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.546 3.996 6.004 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.824 3.691 5.277 1.00 0.00 C ATOM 0 H ILE A 35 3.457 4.576 9.434 1.00 0.00 H new ATOM 0 HA ILE A 35 1.445 2.854 8.346 1.00 0.00 H new ATOM 0 HB ILE A 35 2.887 2.359 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.730 5.213 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.623 4.138 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.752 4.098 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.663 3.373 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.367 4.981 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.708 4.319 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.130 2.658 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.223 3.750 4.370 1.00 0.00 H new ATOM 279 N SER A 36 2.898 1.041 9.229 1.00 0.00 N ATOM 280 CA SER A 36 3.716 -0.024 9.799 1.00 0.00 C ATOM 281 C SER A 36 4.162 -1.001 8.715 1.00 0.00 C ATOM 282 O SER A 36 3.363 -1.420 7.876 1.00 0.00 O ATOM 283 CB SER A 36 2.938 -0.768 10.885 1.00 0.00 C ATOM 284 OG SER A 36 3.735 -1.776 11.483 1.00 0.00 O ATOM 0 H SER A 36 1.897 0.844 9.216 1.00 0.00 H new ATOM 0 HA SER A 36 4.602 0.428 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.606 -0.063 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.043 -1.216 10.453 1.00 0.00 H new ATOM 0 HG SER A 36 4.580 -1.386 11.789 1.00 0.00 H new ATOM 290 N ILE A 37 5.440 -1.358 8.737 1.00 0.00 N ATOM 291 CA ILE A 37 5.992 -2.284 7.756 1.00 0.00 C ATOM 292 C ILE A 37 6.483 -3.563 8.423 1.00 0.00 C ATOM 293 O ILE A 37 6.415 -3.704 9.645 1.00 0.00 O ATOM 294 CB ILE A 37 7.156 -1.648 6.972 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.134 -0.966 7.930 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.626 -0.654 5.950 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.479 -0.659 7.305 1.00 0.00 C ATOM 0 H ILE A 37 6.114 -1.020 9.424 1.00 0.00 H new ATOM 0 HA ILE A 37 5.186 -2.525 7.062 1.00 0.00 H new ATOM 0 HB ILE A 37 7.689 -2.436 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.690 -0.038 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.284 -1.606 8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.460 -0.213 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.966 -1.168 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.071 0.133 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.121 -0.176 8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.945 -1.586 6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.341 0.006 6.453 1.00 0.00 H new ATOM 309 N GLY A 38 6.978 -4.494 7.615 1.00 0.00 N ATOM 310 CA GLY A 38 7.474 -5.750 8.146 1.00 0.00 C ATOM 311 C GLY A 38 8.466 -6.420 7.217 1.00 0.00 C ATOM 312 O GLY A 38 8.123 -6.794 6.096 1.00 0.00 O ATOM 0 H GLY A 38 7.045 -4.401 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.948 -5.571 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.635 -6.423 8.323 1.00 0.00 H new ATOM 316 N GLY A 39 9.701 -6.572 7.685 1.00 0.00 N ATOM 317 CA GLY A 39 10.729 -7.201 6.877 1.00 0.00 C ATOM 318 C GLY A 39 11.989 -7.496 7.667 1.00 0.00 C ATOM 319 O GLY A 39 12.137 -7.046 8.804 1.00 0.00 O ATOM 0 H GLY A 39 10.008 -6.271 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.340 -8.130 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.975 -6.551 6.037 1.00 0.00 H new ATOM 323 N GLY A 40 12.898 -8.253 7.063 1.00 0.00 N ATOM 324 CA GLY A 40 14.141 -8.593 7.731 1.00 0.00 C ATOM 325 C GLY A 40 15.319 -8.628 6.777 1.00 0.00 C ATOM 326 O GLY A 40 15.680 -7.611 6.188 1.00 0.00 O ATOM 0 H GLY A 40 12.797 -8.637 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.337 -7.866 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.038 -9.566 8.212 1.00 0.00 H new ATOM 330 N ALA A 41 15.921 -9.804 6.627 1.00 0.00 N ATOM 331 CA ALA A 41 17.065 -9.968 5.738 1.00 0.00 C ATOM 332 C ALA A 41 17.416 -11.440 5.560 1.00 0.00 C ATOM 333 O ALA A 41 17.503 -12.189 6.533 1.00 0.00 O ATOM 334 CB ALA A 41 18.263 -9.198 6.275 1.00 0.00 C ATOM 0 H ALA A 41 15.636 -10.656 7.109 1.00 0.00 H new ATOM 0 HA ALA A 41 16.796 -9.566 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 41 19.111 -9.329 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.014 -8.139 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.524 -9.574 7.264 1.00 0.00 H new ATOM 340 N GLN A 42 17.617 -11.848 4.310 1.00 0.00 N ATOM 341 CA GLN A 42 17.959 -13.233 3.998 1.00 0.00 C ATOM 342 C GLN A 42 16.780 -14.162 4.276 1.00 0.00 C ATOM 343 O GLN A 42 16.181 -14.713 3.353 1.00 0.00 O ATOM 344 CB GLN A 42 19.181 -13.680 4.808 1.00 0.00 C ATOM 345 CG GLN A 42 20.127 -14.579 4.031 1.00 0.00 C ATOM 346 CD GLN A 42 21.226 -13.804 3.331 1.00 0.00 C ATOM 347 OE1 GLN A 42 21.819 -12.891 3.905 1.00 0.00 O ATOM 348 NE2 GLN A 42 21.502 -14.166 2.084 1.00 0.00 N ATOM 0 H GLN A 42 17.549 -11.238 3.495 1.00 0.00 H new ATOM 0 HA GLN A 42 18.199 -13.288 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.726 -12.798 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.843 -14.207 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.575 -15.303 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.560 -15.145 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.984 -14.929 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.232 -13.681 1.562 1.00 0.00 H new ATOM 357 N TYR A 43 16.454 -14.330 5.553 1.00 0.00 N ATOM 358 CA TYR A 43 15.346 -15.192 5.951 1.00 0.00 C ATOM 359 C TYR A 43 14.010 -14.586 5.534 1.00 0.00 C ATOM 360 O TYR A 43 13.072 -15.306 5.190 1.00 0.00 O ATOM 361 CB TYR A 43 15.367 -15.419 7.464 1.00 0.00 C ATOM 362 CG TYR A 43 16.685 -15.957 7.978 1.00 0.00 C ATOM 363 CD1 TYR A 43 17.719 -15.098 8.324 1.00 0.00 C ATOM 364 CD2 TYR A 43 16.892 -17.324 8.115 1.00 0.00 C ATOM 365 CE1 TYR A 43 18.925 -15.586 8.793 1.00 0.00 C ATOM 366 CE2 TYR A 43 18.093 -17.820 8.584 1.00 0.00 C ATOM 367 CZ TYR A 43 19.106 -16.947 8.921 1.00 0.00 C ATOM 368 OH TYR A 43 20.304 -17.436 9.389 1.00 0.00 O ATOM 0 H TYR A 43 16.940 -13.882 6.330 1.00 0.00 H new ATOM 0 HA TYR A 43 15.463 -16.151 5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 43 15.147 -14.477 7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 43 14.572 -16.115 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 43 17.579 -14.032 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 43 16.101 -18.010 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.720 -14.905 9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 43 18.238 -18.885 8.686 1.00 0.00 H new ATOM 0 HH TYR A 43 20.268 -18.415 9.420 1.00 0.00 H new ATOM 378 N CYS A 44 13.931 -13.261 5.566 1.00 0.00 N ATOM 379 CA CYS A 44 12.709 -12.559 5.191 1.00 0.00 C ATOM 380 C CYS A 44 13.023 -11.155 4.676 1.00 0.00 C ATOM 381 O CYS A 44 12.710 -10.157 5.326 1.00 0.00 O ATOM 382 CB CYS A 44 11.753 -12.485 6.386 1.00 0.00 C ATOM 383 SG CYS A 44 10.164 -13.303 6.111 1.00 0.00 S ATOM 0 H CYS A 44 14.698 -12.651 5.848 1.00 0.00 H new ATOM 0 HA CYS A 44 12.228 -13.116 4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.236 -12.936 7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.573 -11.438 6.630 1.00 0.00 H new ATOM 0 HG CYS A 44 9.427 -13.189 7.176 1.00 0.00 H new ATOM 389 N PRO A 45 13.654 -11.059 3.493 1.00 0.00 N ATOM 390 CA PRO A 45 14.012 -9.772 2.890 1.00 0.00 C ATOM 391 C PRO A 45 12.796 -9.020 2.357 1.00 0.00 C ATOM 392 O PRO A 45 12.816 -7.795 2.236 1.00 0.00 O ATOM 393 CB PRO A 45 14.941 -10.166 1.741 1.00 0.00 C ATOM 394 CG PRO A 45 14.517 -11.545 1.371 1.00 0.00 C ATOM 395 CD PRO A 45 14.066 -12.199 2.649 1.00 0.00 C ATOM 0 HA PRO A 45 14.468 -9.097 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.842 -9.481 0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.986 -10.142 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.710 -11.521 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.341 -12.098 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.241 -12.890 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.870 -12.772 3.112 1.00 0.00 H new ATOM 403 N CYS A 46 11.739 -9.761 2.038 1.00 0.00 N ATOM 404 CA CYS A 46 10.516 -9.164 1.516 1.00 0.00 C ATOM 405 C CYS A 46 9.902 -8.198 2.524 1.00 0.00 C ATOM 406 O CYS A 46 9.465 -8.601 3.601 1.00 0.00 O ATOM 407 CB CYS A 46 9.504 -10.257 1.162 1.00 0.00 C ATOM 408 SG CYS A 46 10.183 -11.589 0.143 1.00 0.00 S ATOM 0 H CYS A 46 11.706 -10.776 2.132 1.00 0.00 H new ATOM 0 HA CYS A 46 10.772 -8.604 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.109 -10.684 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.664 -9.803 0.636 1.00 0.00 H new ATOM 0 HG CYS A 46 9.254 -12.465 -0.102 1.00 0.00 H new ATOM 414 N LEU A 47 9.872 -6.919 2.164 1.00 0.00 N ATOM 415 CA LEU A 47 9.309 -5.891 3.033 1.00 0.00 C ATOM 416 C LEU A 47 7.915 -5.489 2.558 1.00 0.00 C ATOM 417 O LEU A 47 7.716 -5.178 1.385 1.00 0.00 O ATOM 418 CB LEU A 47 10.225 -4.665 3.068 1.00 0.00 C ATOM 419 CG LEU A 47 11.230 -4.640 4.219 1.00 0.00 C ATOM 420 CD1 LEU A 47 12.248 -5.757 4.061 1.00 0.00 C ATOM 421 CD2 LEU A 47 11.924 -3.287 4.291 1.00 0.00 C ATOM 0 H LEU A 47 10.231 -6.569 1.276 1.00 0.00 H new ATOM 0 HA LEU A 47 9.228 -6.301 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.772 -4.613 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.606 -3.770 3.127 1.00 0.00 H new ATOM 0 HG LEU A 47 10.690 -4.798 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.956 -5.724 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.735 -6.719 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.784 -5.630 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.636 -3.287 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.452 -3.099 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.182 -2.505 4.452 1.00 0.00 H new ATOM 433 N TYR A 48 6.954 -5.499 3.477 1.00 0.00 N ATOM 434 CA TYR A 48 5.581 -5.137 3.143 1.00 0.00 C ATOM 435 C TYR A 48 4.886 -4.463 4.323 1.00 0.00 C ATOM 436 O TYR A 48 5.325 -4.582 5.467 1.00 0.00 O ATOM 437 CB TYR A 48 4.794 -6.378 2.718 1.00 0.00 C ATOM 438 CG TYR A 48 4.957 -7.550 3.659 1.00 0.00 C ATOM 439 CD1 TYR A 48 5.981 -8.471 3.480 1.00 0.00 C ATOM 440 CD2 TYR A 48 4.087 -7.737 4.726 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.134 -9.544 4.337 1.00 0.00 C ATOM 442 CE2 TYR A 48 4.233 -8.806 5.587 1.00 0.00 C ATOM 443 CZ TYR A 48 5.257 -9.707 5.389 1.00 0.00 C ATOM 444 OH TYR A 48 5.405 -10.775 6.246 1.00 0.00 O ATOM 0 H TYR A 48 7.100 -5.753 4.454 1.00 0.00 H new ATOM 0 HA TYR A 48 5.614 -4.430 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.737 -6.122 2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.114 -6.677 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.669 -8.346 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.283 -7.034 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.936 -10.251 4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.548 -8.936 6.412 1.00 0.00 H new ATOM 0 HH TYR A 48 4.707 -10.743 6.933 1.00 0.00 H new ATOM 454 N ILE A 49 3.798 -3.757 4.032 1.00 0.00 N ATOM 455 CA ILE A 49 3.035 -3.066 5.063 1.00 0.00 C ATOM 456 C ILE A 49 2.232 -4.058 5.901 1.00 0.00 C ATOM 457 O ILE A 49 1.920 -5.156 5.441 1.00 0.00 O ATOM 458 CB ILE A 49 2.079 -2.027 4.444 1.00 0.00 C ATOM 459 CG1 ILE A 49 2.839 -1.127 3.467 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.417 -1.197 5.533 1.00 0.00 C ATOM 461 CD1 ILE A 49 1.939 -0.294 2.581 1.00 0.00 C ATOM 0 H ILE A 49 3.425 -3.649 3.089 1.00 0.00 H new ATOM 0 HA ILE A 49 3.749 -2.550 5.705 1.00 0.00 H new ATOM 0 HB ILE A 49 1.298 -2.554 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.493 -0.463 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.479 -1.747 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.746 -0.469 5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.849 -1.851 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.182 -0.675 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.548 0.318 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.303 -0.951 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.317 0.352 3.200 1.00 0.00 H new ATOM 473 N VAL A 50 1.912 -3.675 7.133 1.00 0.00 N ATOM 474 CA VAL A 50 1.156 -4.549 8.025 1.00 0.00 C ATOM 475 C VAL A 50 -0.160 -3.913 8.466 1.00 0.00 C ATOM 476 O VAL A 50 -1.209 -4.558 8.431 1.00 0.00 O ATOM 477 CB VAL A 50 1.976 -4.922 9.274 1.00 0.00 C ATOM 478 CG1 VAL A 50 3.217 -5.711 8.883 1.00 0.00 C ATOM 479 CG2 VAL A 50 2.355 -3.678 10.062 1.00 0.00 C ATOM 0 H VAL A 50 2.162 -2.772 7.535 1.00 0.00 H new ATOM 0 HA VAL A 50 0.936 -5.451 7.454 1.00 0.00 H new ATOM 0 HB VAL A 50 1.357 -5.552 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.784 -5.965 9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.920 -6.625 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.838 -5.108 8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.934 -3.966 10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.953 -3.017 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.451 -3.158 10.378 1.00 0.00 H new ATOM 489 N GLN A 51 -0.105 -2.653 8.890 1.00 0.00 N ATOM 490 CA GLN A 51 -1.305 -1.957 9.346 1.00 0.00 C ATOM 491 C GLN A 51 -1.051 -0.460 9.505 1.00 0.00 C ATOM 492 O GLN A 51 0.047 -0.039 9.868 1.00 0.00 O ATOM 493 CB GLN A 51 -1.779 -2.550 10.675 1.00 0.00 C ATOM 494 CG GLN A 51 -3.038 -1.899 11.227 1.00 0.00 C ATOM 495 CD GLN A 51 -4.306 -2.548 10.708 1.00 0.00 C ATOM 496 OE1 GLN A 51 -5.000 -3.252 11.440 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.615 -2.314 9.438 1.00 0.00 N ATOM 0 H GLN A 51 0.749 -2.097 8.927 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.080 -2.090 8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.962 -3.616 10.541 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.980 -2.454 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.025 -1.956 12.315 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.041 -0.841 10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.011 -1.724 8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.457 -2.725 9.034 1.00 0.00 H new ATOM 506 N VAL A 52 -2.083 0.337 9.239 1.00 0.00 N ATOM 507 CA VAL A 52 -1.984 1.788 9.360 1.00 0.00 C ATOM 508 C VAL A 52 -2.646 2.270 10.645 1.00 0.00 C ATOM 509 O VAL A 52 -3.402 1.533 11.280 1.00 0.00 O ATOM 510 CB VAL A 52 -2.645 2.505 8.165 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.184 3.952 8.086 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.347 1.775 6.864 1.00 0.00 C ATOM 0 H VAL A 52 -2.998 0.001 8.938 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.922 2.031 9.376 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.724 2.497 8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.662 4.440 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.458 4.472 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.102 3.983 7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.823 2.299 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.269 1.744 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.734 0.758 6.921 1.00 0.00 H new ATOM 522 N PHE A 53 -2.362 3.511 11.024 1.00 0.00 N ATOM 523 CA PHE A 53 -2.934 4.091 12.232 1.00 0.00 C ATOM 524 C PHE A 53 -3.907 5.212 11.884 1.00 0.00 C ATOM 525 O PHE A 53 -3.800 5.835 10.828 1.00 0.00 O ATOM 526 CB PHE A 53 -1.827 4.618 13.146 1.00 0.00 C ATOM 527 CG PHE A 53 -1.022 3.527 13.793 1.00 0.00 C ATOM 528 CD1 PHE A 53 0.036 2.936 13.120 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.327 3.090 15.071 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.775 1.930 13.711 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.590 2.083 15.669 1.00 0.00 C ATOM 532 CZ PHE A 53 0.461 1.503 14.987 1.00 0.00 C ATOM 0 H PHE A 53 -1.739 4.135 10.511 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.482 3.310 12.759 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.161 5.257 12.567 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.272 5.241 13.922 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.285 3.266 12.122 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.149 3.540 15.607 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.597 1.478 13.176 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.836 1.752 16.667 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.037 0.716 15.451 1.00 0.00 H new ATOM 542 N ASP A 54 -4.859 5.460 12.775 1.00 0.00 N ATOM 543 CA ASP A 54 -5.857 6.503 12.558 1.00 0.00 C ATOM 544 C ASP A 54 -5.232 7.892 12.648 1.00 0.00 C ATOM 545 O ASP A 54 -4.156 8.067 13.220 1.00 0.00 O ATOM 546 CB ASP A 54 -6.987 6.373 13.581 1.00 0.00 C ATOM 547 CG ASP A 54 -8.307 6.901 13.053 1.00 0.00 C ATOM 548 OD1 ASP A 54 -9.030 6.131 12.386 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.617 8.084 13.305 1.00 0.00 O ATOM 0 H ASP A 54 -4.962 4.954 13.655 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.263 6.376 11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.103 5.326 13.860 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.718 6.916 14.487 1.00 0.00 H new ATOM 554 N ASN A 55 -5.924 8.876 12.081 1.00 0.00 N ATOM 555 CA ASN A 55 -5.456 10.258 12.092 1.00 0.00 C ATOM 556 C ASN A 55 -4.144 10.421 11.326 1.00 0.00 C ATOM 557 O ASN A 55 -3.450 11.425 11.479 1.00 0.00 O ATOM 558 CB ASN A 55 -5.280 10.749 13.531 1.00 0.00 C ATOM 559 CG ASN A 55 -6.603 10.902 14.255 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.091 12.016 14.451 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.190 9.782 14.659 1.00 0.00 N ATOM 0 H ASN A 55 -6.816 8.740 11.606 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.214 10.861 11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.649 10.047 14.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.760 11.707 13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.081 9.823 15.153 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.750 8.880 14.475 1.00 0.00 H new ATOM 568 N THR A 56 -3.810 9.437 10.493 1.00 0.00 N ATOM 569 CA THR A 56 -2.583 9.497 9.706 1.00 0.00 C ATOM 570 C THR A 56 -2.900 9.779 8.241 1.00 0.00 C ATOM 571 O THR A 56 -3.958 9.398 7.744 1.00 0.00 O ATOM 572 CB THR A 56 -1.799 8.190 9.827 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.491 7.128 9.193 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.536 7.778 11.259 1.00 0.00 C ATOM 0 H THR A 56 -4.368 8.596 10.347 1.00 0.00 H new ATOM 0 HA THR A 56 -1.970 10.310 10.097 1.00 0.00 H new ATOM 0 HB THR A 56 -0.842 8.383 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.136 6.738 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.976 6.843 11.272 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.958 8.554 11.761 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.485 7.640 11.778 1.00 0.00 H new ATOM 582 N PRO A 57 -1.988 10.456 7.526 1.00 0.00 N ATOM 583 CA PRO A 57 -2.181 10.789 6.112 1.00 0.00 C ATOM 584 C PRO A 57 -2.356 9.546 5.244 1.00 0.00 C ATOM 585 O PRO A 57 -3.046 9.581 4.226 1.00 0.00 O ATOM 586 CB PRO A 57 -0.897 11.536 5.729 1.00 0.00 C ATOM 587 CG PRO A 57 0.096 11.170 6.781 1.00 0.00 C ATOM 588 CD PRO A 57 -0.699 10.951 8.036 1.00 0.00 C ATOM 0 HA PRO A 57 -3.086 11.377 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.549 11.240 4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.062 12.613 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.645 10.270 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.831 11.963 6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.221 10.227 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.817 11.873 8.606 1.00 0.00 H new ATOM 596 N ALA A 58 -1.726 8.451 5.654 1.00 0.00 N ATOM 597 CA ALA A 58 -1.809 7.198 4.915 1.00 0.00 C ATOM 598 C ALA A 58 -3.181 6.550 5.076 1.00 0.00 C ATOM 599 O ALA A 58 -3.726 5.984 4.129 1.00 0.00 O ATOM 600 CB ALA A 58 -0.717 6.244 5.372 1.00 0.00 C ATOM 0 H ALA A 58 -1.151 8.406 6.496 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.666 7.421 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.790 5.312 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.259 6.697 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.835 6.038 6.436 1.00 0.00 H new ATOM 606 N ALA A 59 -3.732 6.634 6.283 1.00 0.00 N ATOM 607 CA ALA A 59 -5.040 6.054 6.568 1.00 0.00 C ATOM 608 C ALA A 59 -6.166 7.021 6.214 1.00 0.00 C ATOM 609 O ALA A 59 -7.281 6.604 5.905 1.00 0.00 O ATOM 610 CB ALA A 59 -5.131 5.650 8.031 1.00 0.00 C ATOM 0 H ALA A 59 -3.294 7.098 7.079 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.155 5.165 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.112 5.219 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.359 4.913 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.987 6.528 8.661 1.00 0.00 H new ATOM 616 N LEU A 60 -5.865 8.315 6.262 1.00 0.00 N ATOM 617 CA LEU A 60 -6.851 9.340 5.946 1.00 0.00 C ATOM 618 C LEU A 60 -7.068 9.434 4.439 1.00 0.00 C ATOM 619 O LEU A 60 -8.171 9.731 3.978 1.00 0.00 O ATOM 620 CB LEU A 60 -6.404 10.695 6.498 1.00 0.00 C ATOM 621 CG LEU A 60 -6.417 10.812 8.025 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.560 11.982 8.477 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.841 10.965 8.535 1.00 0.00 C ATOM 0 H LEU A 60 -4.946 8.678 6.517 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.795 9.062 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.394 10.899 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.050 11.469 6.084 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.998 9.897 8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.581 12.050 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.533 11.832 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.950 12.905 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.831 11.047 9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.286 11.863 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.428 10.095 8.242 1.00 0.00 H new ATOM 635 N ASP A 61 -6.010 9.177 3.677 1.00 0.00 N ATOM 636 CA ASP A 61 -6.086 9.230 2.222 1.00 0.00 C ATOM 637 C ASP A 61 -6.682 7.943 1.662 1.00 0.00 C ATOM 638 O ASP A 61 -7.548 7.976 0.788 1.00 0.00 O ATOM 639 CB ASP A 61 -4.695 9.460 1.627 1.00 0.00 C ATOM 640 CG ASP A 61 -4.384 10.931 1.435 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.255 11.659 0.917 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.268 11.355 1.805 1.00 0.00 O ATOM 0 H ASP A 61 -5.090 8.930 4.043 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.735 10.061 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.945 9.015 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.624 8.948 0.667 1.00 0.00 H new ATOM 647 N GLY A 62 -6.212 6.808 2.171 1.00 0.00 N ATOM 648 CA GLY A 62 -6.711 5.525 1.712 1.00 0.00 C ATOM 649 C GLY A 62 -5.967 5.018 0.492 1.00 0.00 C ATOM 650 O GLY A 62 -6.545 4.893 -0.588 1.00 0.00 O ATOM 0 H GLY A 62 -5.494 6.754 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.623 4.795 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.772 5.614 1.476 1.00 0.00 H new ATOM 654 N THR A 63 -4.681 4.730 0.662 1.00 0.00 N ATOM 655 CA THR A 63 -3.857 4.236 -0.435 1.00 0.00 C ATOM 656 C THR A 63 -2.999 3.056 0.013 1.00 0.00 C ATOM 657 O THR A 63 -3.066 1.973 -0.566 1.00 0.00 O ATOM 658 CB THR A 63 -2.962 5.356 -0.971 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.618 6.608 -0.876 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.556 5.158 -2.416 1.00 0.00 C ATOM 0 H THR A 63 -4.187 4.830 1.549 1.00 0.00 H new ATOM 0 HA THR A 63 -4.522 3.896 -1.229 1.00 0.00 H new ATOM 0 HB THR A 63 -2.065 5.332 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.430 7.138 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.923 5.987 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.005 4.223 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.447 5.122 -3.043 1.00 0.00 H new ATOM 668 N VAL A 64 -2.196 3.273 1.048 1.00 0.00 N ATOM 669 CA VAL A 64 -1.326 2.228 1.573 1.00 0.00 C ATOM 670 C VAL A 64 -1.841 1.702 2.909 1.00 0.00 C ATOM 671 O VAL A 64 -2.216 2.478 3.789 1.00 0.00 O ATOM 672 CB VAL A 64 0.117 2.737 1.755 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.736 3.082 0.410 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.147 3.937 2.689 1.00 0.00 C ATOM 0 H VAL A 64 -2.129 4.164 1.540 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.328 1.419 0.843 1.00 0.00 H new ATOM 0 HB VAL A 64 0.709 1.941 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.755 3.440 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.752 2.194 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.146 3.860 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.174 4.282 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.460 4.739 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.252 3.651 3.662 1.00 0.00 H new ATOM 684 N ALA A 65 -1.853 0.381 3.056 1.00 0.00 N ATOM 685 CA ALA A 65 -2.320 -0.246 4.286 1.00 0.00 C ATOM 686 C ALA A 65 -2.123 -1.758 4.242 1.00 0.00 C ATOM 687 O ALA A 65 -1.436 -2.279 3.365 1.00 0.00 O ATOM 688 CB ALA A 65 -3.783 0.092 4.527 1.00 0.00 C ATOM 0 H ALA A 65 -1.545 -0.275 2.339 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.727 0.146 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.119 -0.383 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.897 1.173 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.383 -0.271 3.692 1.00 0.00 H new ATOM 694 N ALA A 66 -2.733 -2.456 5.196 1.00 0.00 N ATOM 695 CA ALA A 66 -2.626 -3.909 5.270 1.00 0.00 C ATOM 696 C ALA A 66 -3.089 -4.561 3.971 1.00 0.00 C ATOM 697 O ALA A 66 -4.235 -4.391 3.552 1.00 0.00 O ATOM 698 CB ALA A 66 -3.434 -4.439 6.445 1.00 0.00 C ATOM 0 H ALA A 66 -3.307 -2.038 5.929 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.577 -4.163 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.345 -5.525 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.055 -4.007 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.482 -4.166 6.319 1.00 0.00 H new ATOM 704 N GLY A 67 -2.189 -5.305 3.336 1.00 0.00 N ATOM 705 CA GLY A 67 -2.523 -5.971 2.091 1.00 0.00 C ATOM 706 C GLY A 67 -1.598 -5.574 0.956 1.00 0.00 C ATOM 707 O GLY A 67 -1.402 -6.335 0.010 1.00 0.00 O ATOM 0 H GLY A 67 -1.235 -5.458 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.474 -7.050 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.551 -5.732 1.819 1.00 0.00 H new ATOM 711 N ASP A 68 -1.027 -4.376 1.054 1.00 0.00 N ATOM 712 CA ASP A 68 -0.117 -3.878 0.028 1.00 0.00 C ATOM 713 C ASP A 68 1.321 -4.275 0.342 1.00 0.00 C ATOM 714 O ASP A 68 1.660 -4.570 1.489 1.00 0.00 O ATOM 715 CB ASP A 68 -0.228 -2.357 -0.085 1.00 0.00 C ATOM 716 CG ASP A 68 -1.587 -1.913 -0.591 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.552 -1.942 0.200 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.684 -1.535 -1.778 1.00 0.00 O ATOM 0 H ASP A 68 -1.178 -3.734 1.832 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.399 -4.326 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.042 -1.908 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.546 -1.988 -0.758 1.00 0.00 H new ATOM 723 N GLU A 69 2.166 -4.280 -0.685 1.00 0.00 N ATOM 724 CA GLU A 69 3.569 -4.640 -0.518 1.00 0.00 C ATOM 725 C GLU A 69 4.481 -3.484 -0.919 1.00 0.00 C ATOM 726 O GLU A 69 4.641 -3.189 -2.103 1.00 0.00 O ATOM 727 CB GLU A 69 3.901 -5.879 -1.351 1.00 0.00 C ATOM 728 CG GLU A 69 5.349 -6.327 -1.233 1.00 0.00 C ATOM 729 CD GLU A 69 5.637 -7.584 -2.029 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.940 -7.822 -3.037 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.560 -8.332 -1.642 1.00 0.00 O ATOM 0 H GLU A 69 1.903 -4.039 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 69 3.738 -4.862 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.251 -6.698 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.678 -5.672 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.003 -5.526 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.587 -6.503 -0.184 1.00 0.00 H new ATOM 738 N ILE A 70 5.079 -2.835 0.075 1.00 0.00 N ATOM 739 CA ILE A 70 5.976 -1.715 -0.175 1.00 0.00 C ATOM 740 C ILE A 70 7.276 -2.191 -0.820 1.00 0.00 C ATOM 741 O ILE A 70 7.820 -3.231 -0.448 1.00 0.00 O ATOM 742 CB ILE A 70 6.303 -0.955 1.127 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.214 0.240 0.839 1.00 0.00 C ATOM 744 CG2 ILE A 70 6.949 -1.889 2.139 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.560 1.047 2.071 1.00 0.00 C ATOM 0 H ILE A 70 4.958 -3.066 1.061 1.00 0.00 H new ATOM 0 HA ILE A 70 5.461 -1.039 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 70 5.371 -0.580 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.135 -0.118 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.727 0.891 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.173 -1.337 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.265 -2.706 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.872 -2.294 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.208 1.878 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.646 1.435 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.076 0.410 2.790 1.00 0.00 H new ATOM 757 N THR A 71 7.766 -1.428 -1.792 1.00 0.00 N ATOM 758 CA THR A 71 8.999 -1.778 -2.488 1.00 0.00 C ATOM 759 C THR A 71 9.586 -0.566 -3.205 1.00 0.00 C ATOM 760 O THR A 71 10.087 -0.678 -4.324 1.00 0.00 O ATOM 761 CB THR A 71 8.738 -2.901 -3.492 1.00 0.00 C ATOM 762 OG1 THR A 71 9.947 -3.326 -4.095 1.00 0.00 O ATOM 763 CG2 THR A 71 7.787 -2.503 -4.601 1.00 0.00 C ATOM 0 H THR A 71 7.329 -0.565 -2.115 1.00 0.00 H new ATOM 0 HA THR A 71 9.720 -2.121 -1.746 1.00 0.00 H new ATOM 0 HB THR A 71 8.281 -3.705 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.420 -2.550 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.645 -3.345 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.827 -2.217 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.204 -1.660 -5.152 1.00 0.00 H new ATOM 771 N GLY A 72 9.523 0.591 -2.555 1.00 0.00 N ATOM 772 CA GLY A 72 10.054 1.803 -3.148 1.00 0.00 C ATOM 773 C GLY A 72 9.712 3.042 -2.347 1.00 0.00 C ATOM 774 O GLY A 72 8.688 3.086 -1.665 1.00 0.00 O ATOM 0 H GLY A 72 9.114 0.711 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.137 1.717 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.663 1.910 -4.160 1.00 0.00 H new ATOM 778 N VAL A 73 10.570 4.054 -2.430 1.00 0.00 N ATOM 779 CA VAL A 73 10.353 5.301 -1.709 1.00 0.00 C ATOM 780 C VAL A 73 11.038 6.468 -2.412 1.00 0.00 C ATOM 781 O VAL A 73 12.243 6.437 -2.661 1.00 0.00 O ATOM 782 CB VAL A 73 10.878 5.209 -0.263 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.520 6.463 0.520 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.331 3.968 0.428 1.00 0.00 C ATOM 0 H VAL A 73 11.422 4.034 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 73 9.277 5.473 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 73 11.964 5.129 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.900 6.377 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.967 7.333 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.436 6.579 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.713 3.921 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.242 4.014 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.645 3.079 -0.119 1.00 0.00 H new ATOM 794 N ASN A 74 10.260 7.498 -2.731 1.00 0.00 N ATOM 795 CA ASN A 74 10.792 8.678 -3.406 1.00 0.00 C ATOM 796 C ASN A 74 11.452 8.302 -4.728 1.00 0.00 C ATOM 797 O ASN A 74 12.385 8.969 -5.178 1.00 0.00 O ATOM 798 CB ASN A 74 11.797 9.397 -2.502 1.00 0.00 C ATOM 799 CG ASN A 74 11.335 10.788 -2.113 1.00 0.00 C ATOM 800 OD1 ASN A 74 11.897 11.788 -2.558 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.304 10.858 -1.278 1.00 0.00 N ATOM 0 H ASN A 74 9.260 7.540 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 74 9.960 9.350 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.958 8.806 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.757 9.466 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.949 11.767 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.868 10.003 -0.933 1.00 0.00 H new ATOM 808 N GLY A 75 10.965 7.230 -5.346 1.00 0.00 N ATOM 809 CA GLY A 75 11.522 6.786 -6.611 1.00 0.00 C ATOM 810 C GLY A 75 12.547 5.683 -6.440 1.00 0.00 C ATOM 811 O GLY A 75 12.718 4.843 -7.322 1.00 0.00 O ATOM 0 H GLY A 75 10.195 6.661 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.716 6.432 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.986 7.633 -7.117 1.00 0.00 H new ATOM 815 N ARG A 76 13.234 5.687 -5.301 1.00 0.00 N ATOM 816 CA ARG A 76 14.248 4.679 -5.018 1.00 0.00 C ATOM 817 C ARG A 76 13.604 3.347 -4.641 1.00 0.00 C ATOM 818 O ARG A 76 12.409 3.284 -4.358 1.00 0.00 O ATOM 819 CB ARG A 76 15.166 5.152 -3.888 1.00 0.00 C ATOM 820 CG ARG A 76 15.690 6.565 -4.084 1.00 0.00 C ATOM 821 CD ARG A 76 15.832 7.294 -2.757 1.00 0.00 C ATOM 822 NE ARG A 76 15.544 8.721 -2.882 1.00 0.00 N ATOM 823 CZ ARG A 76 15.779 9.612 -1.921 1.00 0.00 C ATOM 824 NH1 ARG A 76 16.305 9.228 -0.764 1.00 0.00 N ATOM 825 NH2 ARG A 76 15.488 10.890 -2.118 1.00 0.00 N ATOM 0 H ARG A 76 13.106 6.377 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 76 14.840 4.533 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.623 5.102 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.011 4.468 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.657 6.530 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.013 7.119 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.156 6.851 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.845 7.161 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 76 15.139 9.054 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.531 8.246 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.483 9.915 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.084 11.190 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.668 11.573 -1.382 1.00 0.00 H new ATOM 839 N SER A 77 14.405 2.288 -4.641 1.00 0.00 N ATOM 840 CA SER A 77 13.913 0.959 -4.301 1.00 0.00 C ATOM 841 C SER A 77 14.292 0.588 -2.870 1.00 0.00 C ATOM 842 O SER A 77 15.356 0.969 -2.382 1.00 0.00 O ATOM 843 CB SER A 77 14.471 -0.082 -5.274 1.00 0.00 C ATOM 844 OG SER A 77 15.865 0.094 -5.464 1.00 0.00 O ATOM 0 H SER A 77 15.398 2.324 -4.873 1.00 0.00 H new ATOM 0 HA SER A 77 12.826 0.972 -4.379 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.276 -1.084 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.957 -0.002 -6.232 1.00 0.00 H new ATOM 0 HG SER A 77 16.198 -0.584 -6.088 1.00 0.00 H new ATOM 850 N ILE A 78 13.415 -0.155 -2.203 1.00 0.00 N ATOM 851 CA ILE A 78 13.659 -0.575 -0.827 1.00 0.00 C ATOM 852 C ILE A 78 13.641 -2.098 -0.690 1.00 0.00 C ATOM 853 O ILE A 78 13.881 -2.632 0.392 1.00 0.00 O ATOM 854 CB ILE A 78 12.617 0.027 0.136 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.208 -0.441 -0.239 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.699 1.545 0.121 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.742 -1.646 0.548 1.00 0.00 C ATOM 0 H ILE A 78 12.529 -0.479 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 78 14.650 -0.207 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 78 12.835 -0.320 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.508 0.379 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.184 -0.680 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.957 1.956 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.695 1.859 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.504 1.910 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.737 -1.922 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.420 -2.481 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.733 -1.405 1.611 1.00 0.00 H new ATOM 869 N LYS A 79 13.355 -2.795 -1.788 1.00 0.00 N ATOM 870 CA LYS A 79 13.308 -4.253 -1.777 1.00 0.00 C ATOM 871 C LYS A 79 14.651 -4.838 -1.346 1.00 0.00 C ATOM 872 O LYS A 79 14.707 -5.918 -0.755 1.00 0.00 O ATOM 873 CB LYS A 79 12.927 -4.782 -3.163 1.00 0.00 C ATOM 874 CG LYS A 79 11.768 -5.765 -3.138 1.00 0.00 C ATOM 875 CD LYS A 79 12.077 -7.014 -3.949 1.00 0.00 C ATOM 876 CE LYS A 79 10.835 -7.868 -4.153 1.00 0.00 C ATOM 877 NZ LYS A 79 11.177 -9.290 -4.425 1.00 0.00 N ATOM 0 H LYS A 79 13.153 -2.373 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 79 12.550 -4.563 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.666 -3.941 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.795 -5.267 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.549 -6.044 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.874 -5.285 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.486 -6.728 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.843 -7.599 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.205 -7.810 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.253 -7.469 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.303 -9.838 -4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.757 -9.349 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.710 -9.679 -3.621 1.00 0.00 H new ATOM 891 N GLY A 80 15.729 -4.120 -1.646 1.00 0.00 N ATOM 892 CA GLY A 80 17.054 -4.586 -1.281 1.00 0.00 C ATOM 893 C GLY A 80 17.484 -4.106 0.092 1.00 0.00 C ATOM 894 O GLY A 80 18.304 -4.745 0.752 1.00 0.00 O ATOM 0 H GLY A 80 15.708 -3.225 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.070 -5.676 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.774 -4.242 -2.024 1.00 0.00 H new ATOM 898 N LYS A 81 16.930 -2.979 0.525 1.00 0.00 N ATOM 899 CA LYS A 81 17.262 -2.415 1.829 1.00 0.00 C ATOM 900 C LYS A 81 16.622 -3.224 2.952 1.00 0.00 C ATOM 901 O LYS A 81 15.667 -3.968 2.729 1.00 0.00 O ATOM 902 CB LYS A 81 16.803 -0.957 1.908 1.00 0.00 C ATOM 903 CG LYS A 81 17.317 -0.095 0.766 1.00 0.00 C ATOM 904 CD LYS A 81 17.704 1.295 1.248 1.00 0.00 C ATOM 905 CE LYS A 81 17.685 2.303 0.110 1.00 0.00 C ATOM 906 NZ LYS A 81 18.341 3.584 0.492 1.00 0.00 N ATOM 0 H LYS A 81 16.249 -2.438 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 81 18.345 -2.456 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.713 -0.927 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.137 -0.530 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.181 -0.575 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.550 -0.014 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.016 1.615 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.699 1.264 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.191 1.880 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.654 2.497 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.037 4.337 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.071 3.836 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.374 3.475 0.437 1.00 0.00 H new ATOM 920 N THR A 82 17.157 -3.074 4.160 1.00 0.00 N ATOM 921 CA THR A 82 16.639 -3.790 5.320 1.00 0.00 C ATOM 922 C THR A 82 15.512 -3.006 5.984 1.00 0.00 C ATOM 923 O THR A 82 15.344 -1.811 5.736 1.00 0.00 O ATOM 924 CB THR A 82 17.760 -4.047 6.328 1.00 0.00 C ATOM 925 OG1 THR A 82 18.994 -4.254 5.664 1.00 0.00 O ATOM 926 CG2 THR A 82 17.508 -5.247 7.213 1.00 0.00 C ATOM 0 H THR A 82 17.949 -2.463 4.361 1.00 0.00 H new ATOM 0 HA THR A 82 16.240 -4.745 4.979 1.00 0.00 H new ATOM 0 HB THR A 82 17.793 -3.156 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.699 -4.415 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.342 -5.371 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.588 -5.096 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.412 -6.140 6.596 1.00 0.00 H new ATOM 934 N LYS A 83 14.740 -3.686 6.827 1.00 0.00 N ATOM 935 CA LYS A 83 13.627 -3.052 7.528 1.00 0.00 C ATOM 936 C LYS A 83 14.086 -1.799 8.268 1.00 0.00 C ATOM 937 O LYS A 83 13.378 -0.792 8.304 1.00 0.00 O ATOM 938 CB LYS A 83 12.990 -4.033 8.513 1.00 0.00 C ATOM 939 CG LYS A 83 11.725 -3.503 9.167 1.00 0.00 C ATOM 940 CD LYS A 83 11.289 -4.379 10.331 1.00 0.00 C ATOM 941 CE LYS A 83 12.313 -4.360 11.455 1.00 0.00 C ATOM 942 NZ LYS A 83 13.302 -5.467 11.329 1.00 0.00 N ATOM 0 H LYS A 83 14.864 -4.675 7.041 1.00 0.00 H new ATOM 0 HA LYS A 83 12.886 -2.760 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.757 -4.961 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.715 -4.278 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.896 -2.486 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.925 -3.454 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.327 -4.033 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.146 -5.402 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.837 -3.404 11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.800 -4.439 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.291 -6.043 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.054 -6.063 10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.253 -5.069 11.191 1.00 0.00 H new ATOM 956 N VAL A 84 15.276 -1.868 8.854 1.00 0.00 N ATOM 957 CA VAL A 84 15.832 -0.739 9.591 1.00 0.00 C ATOM 958 C VAL A 84 16.203 0.401 8.647 1.00 0.00 C ATOM 959 O VAL A 84 16.062 1.575 8.990 1.00 0.00 O ATOM 960 CB VAL A 84 17.076 -1.155 10.400 1.00 0.00 C ATOM 961 CG1 VAL A 84 18.175 -1.658 9.474 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.573 0.002 11.252 1.00 0.00 C ATOM 0 H VAL A 84 15.874 -2.694 8.833 1.00 0.00 H new ATOM 0 HA VAL A 84 15.061 -0.397 10.281 1.00 0.00 H new ATOM 0 HB VAL A 84 16.795 -1.970 11.067 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.045 -1.947 10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.813 -2.521 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.455 -0.867 8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.452 -0.312 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.836 0.841 10.608 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.788 0.307 11.944 1.00 0.00 H new ATOM 972 N GLU A 85 16.681 0.045 7.460 1.00 0.00 N ATOM 973 CA GLU A 85 17.073 1.037 6.466 1.00 0.00 C ATOM 974 C GLU A 85 15.856 1.782 5.927 1.00 0.00 C ATOM 975 O GLU A 85 15.835 3.012 5.891 1.00 0.00 O ATOM 976 CB GLU A 85 17.827 0.367 5.314 1.00 0.00 C ATOM 977 CG GLU A 85 19.266 0.017 5.653 1.00 0.00 C ATOM 978 CD GLU A 85 20.121 1.242 5.905 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.832 2.302 5.309 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.078 1.145 6.702 1.00 0.00 O ATOM 0 H GLU A 85 16.806 -0.923 7.163 1.00 0.00 H new ATOM 0 HA GLU A 85 17.731 1.758 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.299 -0.542 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.817 1.031 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.282 -0.621 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.698 -0.561 4.836 1.00 0.00 H new ATOM 987 N VAL A 86 14.844 1.029 5.510 1.00 0.00 N ATOM 988 CA VAL A 86 13.624 1.619 4.973 1.00 0.00 C ATOM 989 C VAL A 86 12.947 2.512 6.008 1.00 0.00 C ATOM 990 O VAL A 86 12.586 3.652 5.717 1.00 0.00 O ATOM 991 CB VAL A 86 12.629 0.537 4.516 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.440 1.168 3.808 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.317 -0.477 3.616 1.00 0.00 C ATOM 0 H VAL A 86 14.845 0.009 5.534 1.00 0.00 H new ATOM 0 HA VAL A 86 13.915 2.219 4.111 1.00 0.00 H new ATOM 0 HB VAL A 86 12.261 0.014 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.748 0.387 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.931 1.850 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.787 1.719 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.597 -1.234 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.717 0.029 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.131 -0.954 4.161 1.00 0.00 H new ATOM 1003 N ALA A 87 12.777 1.986 7.218 1.00 0.00 N ATOM 1004 CA ALA A 87 12.142 2.735 8.297 1.00 0.00 C ATOM 1005 C ALA A 87 12.818 4.087 8.504 1.00 0.00 C ATOM 1006 O ALA A 87 12.172 5.132 8.433 1.00 0.00 O ATOM 1007 CB ALA A 87 12.170 1.927 9.586 1.00 0.00 C ATOM 0 H ALA A 87 13.070 1.044 7.475 1.00 0.00 H new ATOM 0 HA ALA A 87 11.105 2.918 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.693 2.497 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.634 0.989 9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.203 1.715 9.860 1.00 0.00 H new ATOM 1013 N LYS A 88 14.120 4.059 8.762 1.00 0.00 N ATOM 1014 CA LYS A 88 14.883 5.282 8.979 1.00 0.00 C ATOM 1015 C LYS A 88 14.827 6.182 7.746 1.00 0.00 C ATOM 1016 O LYS A 88 14.870 7.408 7.858 1.00 0.00 O ATOM 1017 CB LYS A 88 16.337 4.948 9.321 1.00 0.00 C ATOM 1018 CG LYS A 88 16.822 5.595 10.608 1.00 0.00 C ATOM 1019 CD LYS A 88 18.039 4.874 11.168 1.00 0.00 C ATOM 1020 CE LYS A 88 18.230 5.174 12.648 1.00 0.00 C ATOM 1021 NZ LYS A 88 18.627 6.590 12.881 1.00 0.00 N ATOM 0 H LYS A 88 14.670 3.202 8.826 1.00 0.00 H new ATOM 0 HA LYS A 88 14.437 5.817 9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.443 3.866 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.978 5.268 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.071 6.640 10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.020 5.586 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.925 3.799 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.929 5.177 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.304 4.964 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.992 4.511 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.747 6.754 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.524 6.784 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.888 7.223 12.514 1.00 0.00 H new ATOM 1035 N MET A 89 14.733 5.564 6.573 1.00 0.00 N ATOM 1036 CA MET A 89 14.673 6.307 5.321 1.00 0.00 C ATOM 1037 C MET A 89 13.432 7.191 5.271 1.00 0.00 C ATOM 1038 O MET A 89 13.528 8.402 5.073 1.00 0.00 O ATOM 1039 CB MET A 89 14.675 5.344 4.133 1.00 0.00 C ATOM 1040 CG MET A 89 14.750 6.040 2.784 1.00 0.00 C ATOM 1041 SD MET A 89 13.908 5.120 1.483 1.00 0.00 S ATOM 1042 CE MET A 89 15.257 4.840 0.340 1.00 0.00 C ATOM 0 H MET A 89 14.697 4.550 6.464 1.00 0.00 H new ATOM 0 HA MET A 89 15.554 6.946 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.522 4.664 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.772 4.735 4.168 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.308 7.033 2.866 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.795 6.178 2.508 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.911 4.220 -0.487 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.610 5.796 -0.047 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.072 4.334 0.857 1.00 0.00 H new ATOM 1052 N ILE A 90 12.265 6.577 5.451 1.00 0.00 N ATOM 1053 CA ILE A 90 11.004 7.310 5.428 1.00 0.00 C ATOM 1054 C ILE A 90 11.006 8.438 6.456 1.00 0.00 C ATOM 1055 O ILE A 90 10.605 9.563 6.159 1.00 0.00 O ATOM 1056 CB ILE A 90 9.805 6.380 5.703 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.839 5.172 4.763 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.495 7.140 5.547 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.933 5.542 3.300 1.00 0.00 C ATOM 0 H ILE A 90 12.167 5.575 5.614 1.00 0.00 H new ATOM 0 HA ILE A 90 10.902 7.732 4.428 1.00 0.00 H new ATOM 0 HB ILE A 90 9.875 6.021 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.690 4.543 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.941 4.575 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.659 6.469 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.469 7.969 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.417 7.527 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.952 4.635 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.069 6.145 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.845 6.113 3.127 1.00 0.00 H new ATOM 1071 N GLN A 91 11.461 8.128 7.665 1.00 0.00 N ATOM 1072 CA GLN A 91 11.517 9.114 8.737 1.00 0.00 C ATOM 1073 C GLN A 91 12.465 10.254 8.378 1.00 0.00 C ATOM 1074 O GLN A 91 12.300 11.383 8.842 1.00 0.00 O ATOM 1075 CB GLN A 91 11.966 8.454 10.042 1.00 0.00 C ATOM 1076 CG GLN A 91 10.817 7.903 10.870 1.00 0.00 C ATOM 1077 CD GLN A 91 11.254 7.458 12.252 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.264 7.927 12.775 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.493 6.549 12.849 1.00 0.00 N ATOM 0 H GLN A 91 11.796 7.201 7.927 1.00 0.00 H new ATOM 0 HA GLN A 91 10.517 9.526 8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.658 7.644 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.516 9.183 10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.045 8.666 10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.368 7.059 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.664 6.188 12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.737 6.211 13.780 1.00 0.00 H new ATOM 1088 N GLU A 92 13.458 9.953 7.545 1.00 0.00 N ATOM 1089 CA GLU A 92 14.431 10.953 7.123 1.00 0.00 C ATOM 1090 C GLU A 92 13.862 11.835 6.016 1.00 0.00 C ATOM 1091 O GLU A 92 14.146 13.031 5.953 1.00 0.00 O ATOM 1092 CB GLU A 92 15.714 10.273 6.640 1.00 0.00 C ATOM 1093 CG GLU A 92 16.597 9.767 7.770 1.00 0.00 C ATOM 1094 CD GLU A 92 17.980 10.388 7.754 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.626 10.374 6.685 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.417 10.891 8.811 1.00 0.00 O ATOM 0 H GLU A 92 13.609 9.025 7.150 1.00 0.00 H new ATOM 0 HA GLU A 92 14.662 11.584 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.450 9.436 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.283 10.978 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.117 9.982 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.689 8.683 7.697 1.00 0.00 H new ATOM 1103 N VAL A 93 13.059 11.234 5.143 1.00 0.00 N ATOM 1104 CA VAL A 93 12.452 11.964 4.037 1.00 0.00 C ATOM 1105 C VAL A 93 11.590 13.116 4.542 1.00 0.00 C ATOM 1106 O VAL A 93 10.984 13.029 5.609 1.00 0.00 O ATOM 1107 CB VAL A 93 11.587 11.038 3.160 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.111 11.769 1.914 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.360 9.781 2.788 1.00 0.00 C ATOM 0 H VAL A 93 12.814 10.245 5.181 1.00 0.00 H new ATOM 0 HA VAL A 93 13.270 12.363 3.437 1.00 0.00 H new ATOM 0 HB VAL A 93 10.709 10.741 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.502 11.098 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.516 12.635 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.973 12.099 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.734 9.139 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.257 10.056 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.643 9.246 3.695 1.00 0.00 H new ATOM 1119 N LYS A 94 11.541 14.195 3.767 1.00 0.00 N ATOM 1120 CA LYS A 94 10.752 15.365 4.135 1.00 0.00 C ATOM 1121 C LYS A 94 9.841 15.789 2.987 1.00 0.00 C ATOM 1122 O LYS A 94 10.201 15.663 1.816 1.00 0.00 O ATOM 1123 CB LYS A 94 11.672 16.524 4.525 1.00 0.00 C ATOM 1124 CG LYS A 94 12.740 16.140 5.536 1.00 0.00 C ATOM 1125 CD LYS A 94 12.282 16.409 6.959 1.00 0.00 C ATOM 1126 CE LYS A 94 13.223 15.781 7.976 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.637 15.777 9.344 1.00 0.00 N ATOM 0 H LYS A 94 12.038 14.283 2.881 1.00 0.00 H new ATOM 0 HA LYS A 94 10.130 15.099 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.155 16.911 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.069 17.333 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.985 15.084 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.652 16.701 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.228 17.485 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.276 16.013 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.452 14.758 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.165 16.329 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.052 15.000 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.842 16.683 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.607 15.645 9.280 1.00 0.00 H new ATOM 1141 N GLY A 95 8.661 16.294 3.330 1.00 0.00 N ATOM 1142 CA GLY A 95 7.717 16.728 2.318 1.00 0.00 C ATOM 1143 C GLY A 95 6.899 15.583 1.756 1.00 0.00 C ATOM 1144 O GLY A 95 6.754 14.542 2.397 1.00 0.00 O ATOM 0 H GLY A 95 8.342 16.410 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.046 17.473 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.258 17.216 1.507 1.00 0.00 H new ATOM 1148 N GLU A 96 6.364 15.775 0.555 1.00 0.00 N ATOM 1149 CA GLU A 96 5.556 14.748 -0.094 1.00 0.00 C ATOM 1150 C GLU A 96 6.364 13.473 -0.306 1.00 0.00 C ATOM 1151 O GLU A 96 7.087 13.340 -1.293 1.00 0.00 O ATOM 1152 CB GLU A 96 5.023 15.258 -1.434 1.00 0.00 C ATOM 1153 CG GLU A 96 6.102 15.832 -2.340 1.00 0.00 C ATOM 1154 CD GLU A 96 5.671 17.117 -3.018 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.220 18.040 -2.309 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.786 17.199 -4.259 1.00 0.00 O ATOM 0 H GLU A 96 6.475 16.631 0.012 1.00 0.00 H new ATOM 0 HA GLU A 96 4.714 14.518 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.523 14.439 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.271 16.025 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.002 16.019 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.364 15.095 -3.099 1.00 0.00 H new ATOM 1163 N VAL A 97 6.232 12.536 0.627 1.00 0.00 N ATOM 1164 CA VAL A 97 6.945 11.269 0.544 1.00 0.00 C ATOM 1165 C VAL A 97 6.203 10.279 -0.350 1.00 0.00 C ATOM 1166 O VAL A 97 5.018 10.015 -0.150 1.00 0.00 O ATOM 1167 CB VAL A 97 7.138 10.646 1.942 1.00 0.00 C ATOM 1168 CG1 VAL A 97 5.794 10.393 2.609 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.949 9.362 1.848 1.00 0.00 C ATOM 0 H VAL A 97 5.637 12.632 1.450 1.00 0.00 H new ATOM 0 HA VAL A 97 7.923 11.479 0.110 1.00 0.00 H new ATOM 0 HB VAL A 97 7.692 11.353 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.953 9.953 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.257 11.336 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.207 9.708 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.075 8.937 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.427 8.647 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.928 9.580 1.421 1.00 0.00 H new ATOM 1179 N THR A 98 6.910 9.735 -1.335 1.00 0.00 N ATOM 1180 CA THR A 98 6.319 8.772 -2.258 1.00 0.00 C ATOM 1181 C THR A 98 6.707 7.347 -1.880 1.00 0.00 C ATOM 1182 O THR A 98 7.813 7.103 -1.400 1.00 0.00 O ATOM 1183 CB THR A 98 6.763 9.072 -3.691 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.499 10.424 -4.027 1.00 0.00 O ATOM 1185 CG2 THR A 98 6.080 8.201 -4.723 1.00 0.00 C ATOM 0 H THR A 98 7.892 9.944 -1.515 1.00 0.00 H new ATOM 0 HA THR A 98 5.235 8.862 -2.194 1.00 0.00 H new ATOM 0 HB THR A 98 7.832 8.862 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.792 10.596 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.440 8.465 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.305 7.154 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.002 8.356 -4.674 1.00 0.00 H new ATOM 1193 N ILE A 99 5.790 6.411 -2.098 1.00 0.00 N ATOM 1194 CA ILE A 99 6.036 5.010 -1.778 1.00 0.00 C ATOM 1195 C ILE A 99 5.474 4.091 -2.860 1.00 0.00 C ATOM 1196 O ILE A 99 4.324 4.236 -3.275 1.00 0.00 O ATOM 1197 CB ILE A 99 5.415 4.627 -0.420 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.891 5.587 0.672 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.764 3.190 -0.058 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.185 6.925 0.651 1.00 0.00 C ATOM 0 H ILE A 99 4.869 6.597 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 99 7.117 4.883 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 99 4.331 4.705 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.739 5.121 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.963 5.749 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.317 2.938 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.379 2.518 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.847 3.084 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.573 7.554 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.357 7.412 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.115 6.774 0.794 1.00 0.00 H new ATOM 1212 N HIS A 100 6.294 3.147 -3.312 1.00 0.00 N ATOM 1213 CA HIS A 100 5.877 2.204 -4.344 1.00 0.00 C ATOM 1214 C HIS A 100 5.365 0.909 -3.721 1.00 0.00 C ATOM 1215 O HIS A 100 6.149 0.078 -3.263 1.00 0.00 O ATOM 1216 CB HIS A 100 7.042 1.902 -5.290 1.00 0.00 C ATOM 1217 CG HIS A 100 7.628 3.123 -5.925 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.504 3.407 -7.269 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.347 4.139 -5.393 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.121 4.544 -7.535 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.639 5.009 -6.414 1.00 0.00 N ATOM 0 H HIS A 100 7.250 3.015 -2.980 1.00 0.00 H new ATOM 0 HA HIS A 100 5.066 2.660 -4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.823 1.380 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.698 1.225 -6.072 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.013 2.829 -7.951 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.637 4.245 -4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.190 5.013 -8.505 1.00 0.00 H new ATOM 1230 N TYR A 101 4.047 0.749 -3.705 1.00 0.00 N ATOM 1231 CA TYR A 101 3.430 -0.443 -3.136 1.00 0.00 C ATOM 1232 C TYR A 101 2.831 -1.320 -4.231 1.00 0.00 C ATOM 1233 O TYR A 101 2.677 -0.887 -5.372 1.00 0.00 O ATOM 1234 CB TYR A 101 2.347 -0.049 -2.132 1.00 0.00 C ATOM 1235 CG TYR A 101 1.225 0.762 -2.740 1.00 0.00 C ATOM 1236 CD1 TYR A 101 0.196 0.146 -3.441 1.00 0.00 C ATOM 1237 CD2 TYR A 101 1.196 2.146 -2.616 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.829 0.886 -4.000 1.00 0.00 C ATOM 1239 CE2 TYR A 101 0.174 2.892 -3.171 1.00 0.00 C ATOM 1240 CZ TYR A 101 -0.836 2.257 -3.862 1.00 0.00 C ATOM 1241 OH TYR A 101 -1.856 2.996 -4.417 1.00 0.00 O ATOM 0 H TYR A 101 3.385 1.429 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 101 4.203 -1.014 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.931 -0.952 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.803 0.524 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.197 -0.928 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.986 2.647 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.621 0.392 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.166 3.967 -3.064 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.676 2.459 -4.436 1.00 0.00 H new ATOM 1251 N ASN A 102 2.496 -2.556 -3.876 1.00 0.00 N ATOM 1252 CA ASN A 102 1.913 -3.495 -4.827 1.00 0.00 C ATOM 1253 C ASN A 102 0.619 -4.089 -4.284 1.00 0.00 C ATOM 1254 O ASN A 102 0.619 -4.766 -3.255 1.00 0.00 O ATOM 1255 CB ASN A 102 2.906 -4.614 -5.148 1.00 0.00 C ATOM 1256 CG ASN A 102 4.033 -4.146 -6.047 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.998 -4.346 -7.263 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.043 -3.519 -5.454 1.00 0.00 N ATOM 0 H ASN A 102 2.619 -2.931 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 102 1.684 -2.948 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.323 -5.003 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.378 -5.437 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.830 -3.182 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.031 -3.375 -4.444 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.483 -3.834 -4.980 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.784 -4.344 -4.568 1.00 0.00 C ATOM 1267 C LYS A 103 -1.925 -5.821 -4.921 1.00 0.00 C ATOM 1268 O LYS A 103 -1.579 -6.240 -6.024 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.906 -3.536 -5.227 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.571 -2.542 -4.289 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.568 -1.136 -4.869 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.876 -0.821 -5.576 1.00 0.00 C ATOM 1273 NZ LYS A 103 -5.782 0.002 -4.729 1.00 0.00 N ATOM 0 H LYS A 103 -0.501 -3.276 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.862 -4.240 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.500 -2.999 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.661 -4.223 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.597 -2.854 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.052 -2.542 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.402 -0.413 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.740 -1.033 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.668 -0.291 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.376 -1.751 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.662 0.195 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.002 -0.514 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.315 0.901 -4.493 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.435 -6.605 -3.976 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.621 -8.036 -4.188 1.00 0.00 C ATOM 1289 C LEU A 104 -4.037 -8.462 -3.812 1.00 0.00 C ATOM 1290 O LEU A 104 -4.668 -7.858 -2.945 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.602 -8.830 -3.368 1.00 0.00 C ATOM 1292 CG LEU A 104 -0.191 -8.243 -3.345 1.00 0.00 C ATOM 1293 CD1 LEU A 104 -0.045 -7.252 -2.201 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.845 -9.351 -3.228 1.00 0.00 C ATOM 0 H LEU A 104 -2.727 -6.273 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.467 -8.245 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.964 -8.906 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.551 -9.844 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.023 -7.713 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.966 -6.844 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.763 -6.442 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.233 -7.759 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.844 -8.915 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.679 -9.909 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.756 -10.024 -4.081 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 8.950 -8.432 13.910 1.00 0.00 N ATOM 1308 CA GLU B 121 8.912 -7.113 14.530 1.00 0.00 C ATOM 1309 C GLU B 121 8.661 -6.028 13.487 1.00 0.00 C ATOM 1310 O GLU B 121 9.531 -5.726 12.670 1.00 0.00 O ATOM 1311 CB GLU B 121 10.224 -6.835 15.267 1.00 0.00 C ATOM 1312 CG GLU B 121 10.286 -7.454 16.653 1.00 0.00 C ATOM 1313 CD GLU B 121 11.614 -7.208 17.343 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.996 -6.028 17.491 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.270 -8.195 17.735 1.00 0.00 O ATOM 0 HA GLU B 121 8.091 -7.099 15.247 1.00 0.00 H new ATOM 0 HB2 GLU B 121 11.054 -7.215 14.671 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.361 -5.757 15.353 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.482 -7.046 17.265 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.115 -8.528 16.575 1.00 0.00 H new ATOM 1322 N SER B 122 7.467 -5.446 13.521 1.00 0.00 N ATOM 1323 CA SER B 122 7.102 -4.395 12.578 1.00 0.00 C ATOM 1324 C SER B 122 7.564 -3.031 13.078 1.00 0.00 C ATOM 1325 O SER B 122 7.508 -2.745 14.273 1.00 0.00 O ATOM 1326 CB SER B 122 5.588 -4.384 12.355 1.00 0.00 C ATOM 1327 OG SER B 122 5.216 -5.280 11.322 1.00 0.00 O ATOM 0 H SER B 122 6.736 -5.684 14.191 1.00 0.00 H new ATOM 0 HA SER B 122 7.600 -4.602 11.631 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.080 -4.659 13.279 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.263 -3.375 12.100 1.00 0.00 H new ATOM 0 HG SER B 122 5.520 -4.929 10.459 1.00 0.00 H new ATOM 1333 N VAL B 123 8.023 -2.192 12.153 1.00 0.00 N ATOM 1334 CA VAL B 123 8.495 -0.858 12.500 1.00 0.00 C ATOM 1335 C VAL B 123 7.532 0.213 11.999 1.00 0.00 C ATOM 1336 O VAL B 123 7.288 0.330 10.798 1.00 0.00 O ATOM 1337 CB VAL B 123 9.894 -0.586 11.916 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.436 0.744 12.416 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.850 -1.721 12.260 1.00 0.00 C ATOM 0 H VAL B 123 8.077 -2.414 11.159 1.00 0.00 H new ATOM 0 HA VAL B 123 8.549 -0.816 13.588 1.00 0.00 H new ATOM 0 HB VAL B 123 9.806 -0.531 10.831 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.425 0.917 11.991 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.765 1.548 12.112 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.507 0.722 13.503 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.833 -1.510 11.838 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.932 -1.812 13.343 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.470 -2.655 11.845 1.00 0.00 H new ATOM 1349 N LYS B 124 6.987 0.994 12.926 1.00 0.00 N ATOM 1350 CA LYS B 124 6.051 2.056 12.578 1.00 0.00 C ATOM 1351 C LYS B 124 6.796 3.313 12.139 1.00 0.00 C ATOM 1352 O LYS B 124 7.657 3.819 12.858 1.00 0.00 O ATOM 1353 CB LYS B 124 5.143 2.377 13.767 1.00 0.00 C ATOM 1354 CG LYS B 124 3.909 3.181 13.391 1.00 0.00 C ATOM 1355 CD LYS B 124 4.128 4.669 13.616 1.00 0.00 C ATOM 1356 CE LYS B 124 3.162 5.504 12.791 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.737 6.834 12.439 1.00 0.00 N ATOM 0 H LYS B 124 7.178 0.911 13.925 1.00 0.00 H new ATOM 0 HA LYS B 124 5.438 1.708 11.747 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.830 1.444 14.236 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.715 2.932 14.511 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.661 3.002 12.345 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.058 2.843 13.983 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.000 4.901 14.673 1.00 0.00 H new ATOM 0 HD3 LYS B 124 5.153 4.931 13.354 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.906 4.966 11.878 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.236 5.645 13.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.972 7.535 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.410 7.127 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.231 6.768 11.526 1.00 0.00 H new ATOM 1371 N ILE B 125 6.457 3.812 10.955 1.00 0.00 N ATOM 1372 CA ILE B 125 7.094 5.010 10.419 1.00 0.00 C ATOM 1373 C ILE B 125 6.105 5.845 9.614 1.00 0.00 C ATOM 1374 O ILE B 125 6.381 7.044 9.400 1.00 0.00 O ATOM 1375 CB ILE B 125 8.298 4.656 9.524 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.894 3.618 8.476 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.455 4.143 10.370 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.637 4.209 7.107 1.00 0.00 C ATOM 1379 OXT ILE B 125 5.063 5.293 9.203 1.00 0.00 O ATOM 0 H ILE B 125 5.745 3.406 10.348 1.00 0.00 H new ATOM 0 HA ILE B 125 7.445 5.589 11.273 1.00 0.00 H new ATOM 0 HB ILE B 125 8.625 5.558 9.006 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.681 2.868 8.397 1.00 0.00 H new ATOM 0 HG13 ILE B 125 6.995 3.102 8.815 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.297 3.897 9.724 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.755 4.913 11.081 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.142 3.251 10.912 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.355 3.415 6.415 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.829 4.938 7.171 1.00 0.00 H new ATOM 0 HD13 ILE B 125 8.541 4.700 6.747 1.00 0.00 H new TER 1391 ILE B 125