USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 825 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 51 THR OG1 : rot 177:sc= 0.399 USER MOD Set 1.2: A 59 MET CE :methyl 155:sc= -8.06! (180deg=-12.7!) USER MOD Set 1.3: B 478 MET CE :methyl -120:sc= -3.67 (180deg=-3.18) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -3.01! USER MOD Set 2.2: A 39 THR OG1 : rot 170:sc= -4.6! USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 99 ASN : amide:sc= -7.83! C(o=-8!,f=-8!) USER MOD Set 3.3: A 102 MET CE :methyl 153:sc= -0.213 (180deg=-0.733) USER MOD Single : A 3 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.527 (180deg=-1.77!) USER MOD Single : A 13 SER OG : rot 44:sc= 0.0637 USER MOD Single : A 19 ASN : amide:sc= -0.0966 K(o=-0.097,f=-1.9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.191 USER MOD Single : A 32 THR OG1 : rot 78:sc= -0.598 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.0391 (180deg=0.0276) USER MOD Single : A 38 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.37) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.992 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.72! C(o=-3.7!,f=-6.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -95:sc= 0.0135 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 148:sc= -3.85 (180deg=-6.58!) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.0143 (180deg=-0.652) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -4.33! C(o=-6.6!,f=-4.3!) USER MOD Single : A 88 MET CE :methyl -124:sc= -4.01! (180deg=-10.5!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.897 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0797 K(o=-0.08,f=-1.4) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 163:sc=-0.00429 (180deg=-0.162) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= -0.196 (180deg=-0.928) USER MOD Single : A 103 THR OG1 : rot -82:sc= 0.848 USER MOD Single : A 105 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) USER MOD Single : A 106 GLN : amide:sc= -2.28 K(o=-2.3,f=-8.1!) USER MOD Single : A 109 SER OG : rot 96:sc= 0.652 USER MOD Single : A 111 TYR OH : rot 31:sc= -1.13 USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 0.171 (180deg=0.107) USER MOD Single : B 477 GLN :FLIP amide:sc= -0.123 F(o=-1.4,f=-0.12) USER MOD Single : B 480 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -8.881 14.351 11.037 1.00 0.00 N ATOM 2 CA PRO A 1 -8.663 13.305 10.002 1.00 0.00 C ATOM 3 C PRO A 1 -7.192 12.903 9.900 1.00 0.00 C ATOM 4 O PRO A 1 -6.663 12.715 8.805 1.00 0.00 O ATOM 5 CB PRO A 1 -9.160 13.866 8.671 1.00 0.00 C ATOM 6 CG PRO A 1 -9.515 15.283 8.975 1.00 0.00 C ATOM 7 CD PRO A 1 -9.800 15.343 10.456 1.00 0.00 C ATOM 0 H2 PRO A 1 -7.998 14.788 11.301 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.277 13.944 11.884 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.211 12.403 10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.390 13.806 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -10.023 13.310 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.698 15.954 8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.385 15.597 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -9.617 16.340 10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -10.840 15.098 10.672 1.00 0.00 H new ATOM 17 N SER A 2 -6.539 12.773 11.050 1.00 0.00 N ATOM 18 CA SER A 2 -5.131 12.393 11.093 1.00 0.00 C ATOM 19 C SER A 2 -4.959 10.898 10.839 1.00 0.00 C ATOM 20 O SER A 2 -3.907 10.455 10.377 1.00 0.00 O ATOM 21 CB SER A 2 -4.522 12.766 12.445 1.00 0.00 C ATOM 22 OG SER A 2 -4.068 14.108 12.448 1.00 0.00 O ATOM 0 H SER A 2 -6.962 12.925 11.965 1.00 0.00 H new ATOM 0 HA SER A 2 -4.611 12.937 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.264 12.628 13.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.691 12.097 12.670 1.00 0.00 H new ATOM 0 HG SER A 2 -3.685 14.322 13.324 1.00 0.00 H new ATOM 28 N HIS A 3 -5.996 10.124 11.144 1.00 0.00 N ATOM 29 CA HIS A 3 -5.957 8.677 10.948 1.00 0.00 C ATOM 30 C HIS A 3 -7.165 8.195 10.160 1.00 0.00 C ATOM 31 O HIS A 3 -7.530 7.022 10.204 1.00 0.00 O ATOM 32 CB HIS A 3 -5.859 7.929 12.282 1.00 0.00 C ATOM 33 CG HIS A 3 -5.510 8.795 13.454 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.264 9.882 13.842 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.478 8.725 14.327 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.710 10.444 14.902 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.625 9.760 15.216 1.00 0.00 N ATOM 0 H HIS A 3 -6.874 10.474 11.528 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.059 8.457 10.371 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.812 7.438 12.480 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.109 7.144 12.190 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.686 7.991 14.324 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.081 11.314 15.423 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.998 9.967 15.993 1.00 0.00 H new ATOM 46 N SER A 4 -7.777 9.113 9.442 1.00 0.00 N ATOM 47 CA SER A 4 -8.943 8.803 8.629 1.00 0.00 C ATOM 48 C SER A 4 -8.991 9.707 7.411 1.00 0.00 C ATOM 49 O SER A 4 -8.544 10.853 7.458 1.00 0.00 O ATOM 50 CB SER A 4 -10.228 8.949 9.446 1.00 0.00 C ATOM 51 OG SER A 4 -10.064 9.891 10.492 1.00 0.00 O ATOM 0 H SER A 4 -7.486 10.090 9.403 1.00 0.00 H new ATOM 0 HA SER A 4 -8.863 7.768 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.043 9.263 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.509 7.982 9.864 1.00 0.00 H new ATOM 0 HG SER A 4 -10.900 9.967 10.998 1.00 0.00 H new ATOM 57 N GLY A 5 -9.524 9.184 6.316 1.00 0.00 N ATOM 58 CA GLY A 5 -9.603 9.961 5.103 1.00 0.00 C ATOM 59 C GLY A 5 -10.254 9.200 3.972 1.00 0.00 C ATOM 60 O GLY A 5 -10.550 8.013 4.103 1.00 0.00 O ATOM 0 H GLY A 5 -9.901 8.239 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.168 10.873 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.600 10.264 4.803 1.00 0.00 H new ATOM 64 N ALA A 6 -10.480 9.885 2.862 1.00 0.00 N ATOM 65 CA ALA A 6 -11.105 9.271 1.702 1.00 0.00 C ATOM 66 C ALA A 6 -10.088 8.992 0.604 1.00 0.00 C ATOM 67 O ALA A 6 -9.383 9.892 0.148 1.00 0.00 O ATOM 68 CB ALA A 6 -12.220 10.160 1.172 1.00 0.00 C ATOM 0 H ALA A 6 -10.239 10.869 2.740 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.528 8.317 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.680 9.688 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.972 10.302 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.808 11.127 0.884 1.00 0.00 H new ATOM 74 N ALA A 7 -10.027 7.737 0.179 1.00 0.00 N ATOM 75 CA ALA A 7 -9.111 7.325 -0.874 1.00 0.00 C ATOM 76 C ALA A 7 -9.773 6.293 -1.772 1.00 0.00 C ATOM 77 O ALA A 7 -10.802 5.717 -1.417 1.00 0.00 O ATOM 78 CB ALA A 7 -7.824 6.772 -0.283 1.00 0.00 C ATOM 0 H ALA A 7 -10.605 6.983 0.551 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.859 8.199 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.154 6.470 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.342 7.540 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.052 5.909 0.342 1.00 0.00 H new ATOM 84 N ILE A 8 -9.188 6.064 -2.937 1.00 0.00 N ATOM 85 CA ILE A 8 -9.737 5.105 -3.879 1.00 0.00 C ATOM 86 C ILE A 8 -9.027 3.756 -3.770 1.00 0.00 C ATOM 87 O ILE A 8 -7.808 3.666 -3.923 1.00 0.00 O ATOM 88 CB ILE A 8 -9.656 5.646 -5.332 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.002 5.464 -6.044 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.532 4.977 -6.116 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.937 4.597 -7.287 1.00 0.00 C ATOM 0 H ILE A 8 -8.336 6.528 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.787 4.957 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.429 6.711 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.713 5.024 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.390 6.445 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.505 5.380 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.579 5.170 -5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.707 3.902 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.930 4.520 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.253 5.045 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.581 3.602 -7.019 1.00 0.00 H new ATOM 103 N PHE A 9 -9.800 2.711 -3.510 1.00 0.00 N ATOM 104 CA PHE A 9 -9.250 1.366 -3.392 1.00 0.00 C ATOM 105 C PHE A 9 -9.846 0.453 -4.454 1.00 0.00 C ATOM 106 O PHE A 9 -11.040 0.522 -4.746 1.00 0.00 O ATOM 107 CB PHE A 9 -9.515 0.789 -2.001 1.00 0.00 C ATOM 108 CG PHE A 9 -8.903 -0.567 -1.792 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.548 -0.768 -2.001 1.00 0.00 C ATOM 110 CD2 PHE A 9 -9.682 -1.641 -1.392 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.981 -2.014 -1.813 1.00 0.00 C ATOM 112 CE2 PHE A 9 -9.120 -2.889 -1.202 1.00 0.00 C ATOM 113 CZ PHE A 9 -7.768 -3.076 -1.413 1.00 0.00 C ATOM 0 H PHE A 9 -10.810 2.768 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.172 1.429 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.124 1.476 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.591 0.722 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.928 0.059 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.740 -1.501 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.923 -2.157 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.738 -3.718 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.327 -4.051 -1.265 1.00 0.00 H new ATOM 123 N GLU A 10 -9.007 -0.394 -5.039 1.00 0.00 N ATOM 124 CA GLU A 10 -9.457 -1.311 -6.078 1.00 0.00 C ATOM 125 C GLU A 10 -10.088 -0.542 -7.236 1.00 0.00 C ATOM 126 O GLU A 10 -10.899 -1.084 -7.986 1.00 0.00 O ATOM 127 CB GLU A 10 -10.462 -2.313 -5.506 1.00 0.00 C ATOM 128 CG GLU A 10 -9.814 -3.553 -4.913 1.00 0.00 C ATOM 129 CD GLU A 10 -10.831 -4.588 -4.473 1.00 0.00 C ATOM 130 OE1 GLU A 10 -11.919 -4.647 -5.083 1.00 0.00 O ATOM 131 OE2 GLU A 10 -10.539 -5.339 -3.519 1.00 0.00 O ATOM 0 H GLU A 10 -8.015 -0.464 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.590 -1.856 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.056 -1.820 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.151 -2.615 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.145 -3.997 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.201 -3.265 -4.059 1.00 0.00 H new ATOM 138 N LYS A 11 -9.708 0.728 -7.373 1.00 0.00 N ATOM 139 CA LYS A 11 -10.230 1.574 -8.432 1.00 0.00 C ATOM 140 C LYS A 11 -11.719 1.817 -8.247 1.00 0.00 C ATOM 141 O LYS A 11 -12.500 1.752 -9.197 1.00 0.00 O ATOM 142 CB LYS A 11 -9.939 0.949 -9.794 1.00 0.00 C ATOM 143 CG LYS A 11 -8.528 0.391 -9.898 1.00 0.00 C ATOM 144 CD LYS A 11 -7.479 1.479 -9.714 1.00 0.00 C ATOM 145 CE LYS A 11 -7.665 2.612 -10.712 1.00 0.00 C ATOM 146 NZ LYS A 11 -8.398 3.763 -10.116 1.00 0.00 N ATOM 0 H LYS A 11 -9.038 1.190 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.730 2.542 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.656 0.149 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.086 1.699 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.386 -0.383 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.395 -0.083 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.538 1.874 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.484 1.049 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.690 2.947 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.211 2.244 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.075 4.647 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.418 3.647 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.213 3.800 -9.093 1.00 0.00 H new ATOM 160 N VAL A 12 -12.097 2.108 -7.009 1.00 0.00 N ATOM 161 CA VAL A 12 -13.482 2.376 -6.668 1.00 0.00 C ATOM 162 C VAL A 12 -13.559 3.423 -5.556 1.00 0.00 C ATOM 163 O VAL A 12 -13.266 3.132 -4.396 1.00 0.00 O ATOM 164 CB VAL A 12 -14.191 1.079 -6.230 1.00 0.00 C ATOM 165 CG1 VAL A 12 -15.428 1.373 -5.389 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.556 0.240 -7.445 1.00 0.00 C ATOM 0 H VAL A 12 -11.454 2.164 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.988 2.765 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.498 0.513 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.902 0.435 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.137 1.925 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.131 1.969 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.056 -0.673 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.223 0.809 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.651 -0.018 -7.994 1.00 0.00 H new ATOM 176 N SER A 13 -13.943 4.645 -5.927 1.00 0.00 N ATOM 177 CA SER A 13 -14.052 5.754 -4.975 1.00 0.00 C ATOM 178 C SER A 13 -14.645 5.300 -3.644 1.00 0.00 C ATOM 179 O SER A 13 -15.799 4.878 -3.579 1.00 0.00 O ATOM 180 CB SER A 13 -14.909 6.874 -5.567 1.00 0.00 C ATOM 181 OG SER A 13 -16.082 6.355 -6.168 1.00 0.00 O ATOM 0 H SER A 13 -14.185 4.894 -6.886 1.00 0.00 H new ATOM 0 HA SER A 13 -13.045 6.125 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.181 7.581 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.331 7.426 -6.308 1.00 0.00 H new ATOM 0 HG SER A 13 -16.480 5.680 -5.579 1.00 0.00 H new ATOM 187 N GLY A 14 -13.844 5.390 -2.585 1.00 0.00 N ATOM 188 CA GLY A 14 -14.311 4.986 -1.273 1.00 0.00 C ATOM 189 C GLY A 14 -13.704 5.803 -0.150 1.00 0.00 C ATOM 190 O GLY A 14 -13.290 6.945 -0.354 1.00 0.00 O ATOM 0 H GLY A 14 -12.884 5.734 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.396 5.078 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.075 3.933 -1.118 1.00 0.00 H new ATOM 194 N ILE A 15 -13.660 5.215 1.041 1.00 0.00 N ATOM 195 CA ILE A 15 -13.110 5.888 2.212 1.00 0.00 C ATOM 196 C ILE A 15 -12.186 4.971 3.010 1.00 0.00 C ATOM 197 O ILE A 15 -12.375 3.755 3.035 1.00 0.00 O ATOM 198 CB ILE A 15 -14.226 6.398 3.139 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.207 7.284 2.362 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.621 7.151 4.311 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.667 8.660 2.034 1.00 0.00 C ATOM 0 H ILE A 15 -14.000 4.270 1.221 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.533 6.734 1.838 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.783 5.545 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.478 6.781 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.122 7.393 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.417 7.509 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.965 6.485 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.046 8.000 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.420 9.225 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.422 9.185 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.769 8.563 1.424 1.00 0.00 H new ATOM 213 N ILE A 16 -11.198 5.565 3.679 1.00 0.00 N ATOM 214 CA ILE A 16 -10.255 4.799 4.488 1.00 0.00 C ATOM 215 C ILE A 16 -10.393 5.140 5.968 1.00 0.00 C ATOM 216 O ILE A 16 -10.717 6.270 6.331 1.00 0.00 O ATOM 217 CB ILE A 16 -8.779 5.039 4.080 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.665 5.658 2.682 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.997 3.737 4.151 1.00 0.00 C ATOM 220 CD1 ILE A 16 -8.025 7.028 2.687 1.00 0.00 C ATOM 0 H ILE A 16 -11.031 6.571 3.676 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.505 3.753 4.311 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.353 5.752 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.082 4.994 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.659 5.730 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.962 3.918 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.027 3.350 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.441 3.009 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.974 7.410 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.620 7.706 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.018 6.958 3.098 1.00 0.00 H new ATOM 232 N ALA A 17 -10.126 4.154 6.816 1.00 0.00 N ATOM 233 CA ALA A 17 -10.197 4.335 8.260 1.00 0.00 C ATOM 234 C ALA A 17 -9.067 3.574 8.945 1.00 0.00 C ATOM 235 O ALA A 17 -8.973 2.352 8.829 1.00 0.00 O ATOM 236 CB ALA A 17 -11.549 3.878 8.788 1.00 0.00 C ATOM 0 H ALA A 17 -9.856 3.214 6.525 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.084 5.396 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.585 4.020 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.340 4.463 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.692 2.823 8.556 1.00 0.00 H new ATOM 242 N ILE A 18 -8.204 4.300 9.648 1.00 0.00 N ATOM 243 CA ILE A 18 -7.078 3.688 10.335 1.00 0.00 C ATOM 244 C ILE A 18 -7.430 3.378 11.788 1.00 0.00 C ATOM 245 O ILE A 18 -8.000 4.212 12.491 1.00 0.00 O ATOM 246 CB ILE A 18 -5.835 4.611 10.277 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.770 4.029 9.346 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.264 4.849 11.665 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.692 4.738 8.010 1.00 0.00 C ATOM 0 H ILE A 18 -8.265 5.312 9.756 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.845 2.752 9.827 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.152 5.573 9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.798 4.085 9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.982 2.973 9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.393 5.500 11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.019 5.321 12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.970 3.896 12.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.917 4.276 7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.652 4.660 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.450 5.789 8.169 1.00 0.00 H new ATOM 261 N ASN A 19 -7.079 2.176 12.231 1.00 0.00 N ATOM 262 CA ASN A 19 -7.348 1.756 13.593 1.00 0.00 C ATOM 263 C ASN A 19 -6.049 1.602 14.378 1.00 0.00 C ATOM 264 O ASN A 19 -5.522 0.498 14.511 1.00 0.00 O ATOM 265 CB ASN A 19 -8.126 0.439 13.602 1.00 0.00 C ATOM 266 CG ASN A 19 -8.986 0.284 14.841 1.00 0.00 C ATOM 267 OD1 ASN A 19 -9.050 1.180 15.683 1.00 0.00 O ATOM 268 ND2 ASN A 19 -9.652 -0.859 14.960 1.00 0.00 N ATOM 0 H ASN A 19 -6.606 1.475 11.660 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.953 2.526 14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.758 0.388 12.716 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.426 -0.394 13.543 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.246 -1.021 15.773 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.570 -1.575 14.238 1.00 0.00 H new ATOM 275 N GLU A 20 -5.537 2.715 14.898 1.00 0.00 N ATOM 276 CA GLU A 20 -4.298 2.696 15.669 1.00 0.00 C ATOM 277 C GLU A 20 -4.575 2.509 17.159 1.00 0.00 C ATOM 278 O GLU A 20 -3.731 2.825 17.998 1.00 0.00 O ATOM 279 CB GLU A 20 -3.506 3.986 15.446 1.00 0.00 C ATOM 280 CG GLU A 20 -2.809 4.049 14.098 1.00 0.00 C ATOM 281 CD GLU A 20 -1.663 5.041 14.083 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.550 4.671 14.513 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.877 6.189 13.639 1.00 0.00 O ATOM 0 H GLU A 20 -5.960 3.638 14.800 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.706 1.849 15.321 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.181 4.837 15.536 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.761 4.086 16.235 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.432 3.059 13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.533 4.323 13.331 1.00 0.00 H new ATOM 290 N ASP A 21 -5.752 1.981 17.485 1.00 0.00 N ATOM 291 CA ASP A 21 -6.120 1.743 18.873 1.00 0.00 C ATOM 292 C ASP A 21 -5.447 0.474 19.377 1.00 0.00 C ATOM 293 O ASP A 21 -5.150 0.341 20.564 1.00 0.00 O ATOM 294 CB ASP A 21 -7.639 1.624 19.012 1.00 0.00 C ATOM 295 CG ASP A 21 -8.325 2.975 19.041 1.00 0.00 C ATOM 296 OD1 ASP A 21 -7.718 3.959 18.567 1.00 0.00 O ATOM 297 OD2 ASP A 21 -9.468 3.050 19.538 1.00 0.00 O ATOM 0 H ASP A 21 -6.464 1.711 16.807 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.783 2.588 19.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.032 1.038 18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.876 1.080 19.926 1.00 0.00 H new ATOM 302 N VAL A 22 -5.202 -0.453 18.456 1.00 0.00 N ATOM 303 CA VAL A 22 -4.555 -1.711 18.789 1.00 0.00 C ATOM 304 C VAL A 22 -3.052 -1.622 18.531 1.00 0.00 C ATOM 305 O VAL A 22 -2.616 -0.942 17.602 1.00 0.00 O ATOM 306 CB VAL A 22 -5.158 -2.880 17.980 1.00 0.00 C ATOM 307 CG1 VAL A 22 -4.875 -2.714 16.493 1.00 0.00 C ATOM 308 CG2 VAL A 22 -4.635 -4.216 18.490 1.00 0.00 C ATOM 0 H VAL A 22 -5.444 -0.353 17.470 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.725 -1.903 19.848 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.239 -2.867 18.118 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.310 -3.550 15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.315 -1.781 16.141 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.798 -2.693 16.328 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.073 -5.025 17.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.550 -4.243 18.392 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.907 -4.337 19.538 1.00 0.00 H new ATOM 318 N SER A 23 -2.265 -2.300 19.364 1.00 0.00 N ATOM 319 CA SER A 23 -0.807 -2.287 19.236 1.00 0.00 C ATOM 320 C SER A 23 -0.360 -2.406 17.776 1.00 0.00 C ATOM 321 O SER A 23 0.253 -1.487 17.233 1.00 0.00 O ATOM 322 CB SER A 23 -0.193 -3.419 20.064 1.00 0.00 C ATOM 323 OG SER A 23 0.081 -2.993 21.387 1.00 0.00 O ATOM 0 H SER A 23 -2.613 -2.867 20.137 1.00 0.00 H new ATOM 0 HA SER A 23 -0.455 -1.327 19.614 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.875 -4.269 20.086 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.727 -3.762 19.591 1.00 0.00 H new ATOM 0 HG SER A 23 0.471 -3.735 21.895 1.00 0.00 H new ATOM 329 N PRO A 24 -0.657 -3.542 17.121 1.00 0.00 N ATOM 330 CA PRO A 24 -0.276 -3.771 15.721 1.00 0.00 C ATOM 331 C PRO A 24 -0.839 -2.713 14.775 1.00 0.00 C ATOM 332 O PRO A 24 -0.210 -2.363 13.780 1.00 0.00 O ATOM 333 CB PRO A 24 -0.874 -5.148 15.398 1.00 0.00 C ATOM 334 CG PRO A 24 -1.890 -5.394 16.462 1.00 0.00 C ATOM 335 CD PRO A 24 -1.378 -4.693 17.685 1.00 0.00 C ATOM 0 HA PRO A 24 0.805 -3.720 15.590 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.331 -5.156 14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.106 -5.921 15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.865 -5.006 16.168 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.013 -6.461 16.646 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.190 -4.380 18.342 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.721 -5.333 18.273 1.00 0.00 H new ATOM 343 N ALA A 25 -2.023 -2.206 15.089 1.00 0.00 N ATOM 344 CA ALA A 25 -2.661 -1.192 14.259 1.00 0.00 C ATOM 345 C ALA A 25 -2.916 -1.719 12.850 1.00 0.00 C ATOM 346 O ALA A 25 -2.174 -2.564 12.349 1.00 0.00 O ATOM 347 CB ALA A 25 -1.801 0.059 14.216 1.00 0.00 C ATOM 0 H ALA A 25 -2.561 -2.479 15.911 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.626 -0.941 14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.285 0.812 13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.675 0.449 15.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.825 -0.185 13.797 1.00 0.00 H new ATOM 353 N GLU A 26 -3.972 -1.221 12.215 1.00 0.00 N ATOM 354 CA GLU A 26 -4.324 -1.649 10.870 1.00 0.00 C ATOM 355 C GLU A 26 -5.083 -0.556 10.119 1.00 0.00 C ATOM 356 O GLU A 26 -5.561 0.407 10.718 1.00 0.00 O ATOM 357 CB GLU A 26 -5.166 -2.925 10.921 1.00 0.00 C ATOM 358 CG GLU A 26 -4.624 -3.975 11.877 1.00 0.00 C ATOM 359 CD GLU A 26 -5.378 -5.287 11.790 1.00 0.00 C ATOM 360 OE1 GLU A 26 -5.946 -5.575 10.715 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.400 -6.027 12.796 1.00 0.00 O ATOM 0 H GLU A 26 -4.598 -0.520 12.612 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.397 -1.851 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.183 -2.667 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.223 -3.352 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.571 -4.150 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.679 -3.595 12.897 1.00 0.00 H new ATOM 368 N LEU A 27 -5.197 -0.725 8.805 1.00 0.00 N ATOM 369 CA LEU A 27 -5.902 0.225 7.963 1.00 0.00 C ATOM 370 C LEU A 27 -7.147 -0.429 7.370 1.00 0.00 C ATOM 371 O LEU A 27 -7.056 -1.445 6.681 1.00 0.00 O ATOM 372 CB LEU A 27 -4.987 0.723 6.841 1.00 0.00 C ATOM 373 CG LEU A 27 -5.658 1.636 5.812 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.633 2.558 5.168 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.374 0.809 4.755 1.00 0.00 C ATOM 0 H LEU A 27 -4.805 -1.520 8.300 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.203 1.077 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.149 1.259 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.572 -0.141 6.321 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.397 2.251 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.128 3.200 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.165 3.174 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.871 1.961 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.846 1.473 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.654 0.169 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.136 0.191 5.231 1.00 0.00 H new ATOM 387 N THR A 28 -8.310 0.149 7.653 1.00 0.00 N ATOM 388 CA THR A 28 -9.573 -0.391 7.157 1.00 0.00 C ATOM 389 C THR A 28 -10.223 0.553 6.153 1.00 0.00 C ATOM 390 O THR A 28 -10.558 1.689 6.485 1.00 0.00 O ATOM 391 CB THR A 28 -10.531 -0.641 8.322 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.888 -1.363 9.357 1.00 0.00 O ATOM 393 CG2 THR A 28 -11.771 -1.412 7.924 1.00 0.00 C ATOM 0 H THR A 28 -8.405 0.990 8.222 1.00 0.00 H new ATOM 0 HA THR A 28 -9.358 -1.333 6.652 1.00 0.00 H new ATOM 0 HB THR A 28 -10.833 0.349 8.662 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.518 -1.511 10.093 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.407 -1.554 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.318 -0.854 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.482 -2.384 7.523 1.00 0.00 H new ATOM 401 N TRP A 29 -10.408 0.076 4.927 1.00 0.00 N ATOM 402 CA TRP A 29 -11.028 0.888 3.881 1.00 0.00 C ATOM 403 C TRP A 29 -12.259 0.206 3.298 1.00 0.00 C ATOM 404 O TRP A 29 -12.273 -1.005 3.095 1.00 0.00 O ATOM 405 CB TRP A 29 -10.044 1.192 2.745 1.00 0.00 C ATOM 406 CG TRP A 29 -10.711 1.839 1.561 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.643 3.152 1.194 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.569 1.200 0.602 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.414 3.373 0.078 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.982 2.187 -0.311 1.00 0.00 C ATOM 411 CE3 TRP A 29 -12.026 -0.111 0.428 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.829 1.903 -1.381 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.867 -0.389 -0.631 1.00 0.00 C ATOM 414 CH2 TRP A 29 -13.260 0.614 -1.525 1.00 0.00 C ATOM 0 H TRP A 29 -10.140 -0.863 4.632 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.327 1.823 4.355 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.256 1.847 3.117 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.565 0.266 2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.067 3.908 1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.543 4.272 -0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.726 -0.892 1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.134 2.675 -2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -13.228 -1.397 -0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.917 0.364 -2.345 1.00 0.00 H new ATOM 425 N ARG A 30 -13.275 1.008 2.996 1.00 0.00 N ATOM 426 CA ARG A 30 -14.502 0.500 2.389 1.00 0.00 C ATOM 427 C ARG A 30 -15.036 1.490 1.364 1.00 0.00 C ATOM 428 O ARG A 30 -14.689 2.671 1.386 1.00 0.00 O ATOM 429 CB ARG A 30 -15.580 0.218 3.437 1.00 0.00 C ATOM 430 CG ARG A 30 -16.117 1.462 4.106 1.00 0.00 C ATOM 431 CD ARG A 30 -17.462 1.206 4.766 1.00 0.00 C ATOM 432 NE ARG A 30 -18.354 2.358 4.655 1.00 0.00 N ATOM 433 CZ ARG A 30 -19.474 2.499 5.360 1.00 0.00 C ATOM 434 NH1 ARG A 30 -19.844 1.563 6.226 1.00 0.00 N ATOM 435 NH2 ARG A 30 -20.227 3.578 5.199 1.00 0.00 N ATOM 0 H ARG A 30 -13.273 2.014 3.162 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.253 -0.440 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.405 -0.314 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.169 -0.445 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.404 1.810 4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.219 2.258 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.932 0.337 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.310 0.965 5.818 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.104 3.098 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -19.269 0.730 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.703 1.677 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.948 4.300 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.085 3.686 5.739 1.00 0.00 H new ATOM 449 N SER A 31 -15.886 1.003 0.474 1.00 0.00 N ATOM 450 CA SER A 31 -16.476 1.850 -0.554 1.00 0.00 C ATOM 451 C SER A 31 -17.278 2.979 0.084 1.00 0.00 C ATOM 452 O SER A 31 -17.576 2.940 1.278 1.00 0.00 O ATOM 453 CB SER A 31 -17.376 1.023 -1.475 1.00 0.00 C ATOM 454 OG SER A 31 -17.998 1.842 -2.450 1.00 0.00 O ATOM 0 H SER A 31 -16.183 0.028 0.441 1.00 0.00 H new ATOM 0 HA SER A 31 -15.671 2.283 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.786 0.250 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.137 0.514 -0.884 1.00 0.00 H new ATOM 0 HG SER A 31 -18.566 1.290 -3.027 1.00 0.00 H new ATOM 460 N THR A 32 -17.633 3.980 -0.714 1.00 0.00 N ATOM 461 CA THR A 32 -18.406 5.106 -0.215 1.00 0.00 C ATOM 462 C THR A 32 -19.801 4.658 0.180 1.00 0.00 C ATOM 463 O THR A 32 -20.429 5.236 1.067 1.00 0.00 O ATOM 464 CB THR A 32 -18.488 6.209 -1.260 1.00 0.00 C ATOM 465 OG1 THR A 32 -17.400 6.134 -2.164 1.00 0.00 O ATOM 466 CG2 THR A 32 -18.499 7.598 -0.661 1.00 0.00 C ATOM 0 H THR A 32 -17.398 4.033 -1.705 1.00 0.00 H new ATOM 0 HA THR A 32 -17.900 5.501 0.666 1.00 0.00 H new ATOM 0 HB THR A 32 -19.434 6.046 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.566 5.422 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.559 8.338 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.362 7.704 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.585 7.755 -0.089 1.00 0.00 H new ATOM 474 N ASP A 33 -20.273 3.615 -0.484 1.00 0.00 N ATOM 475 CA ASP A 33 -21.588 3.066 -0.212 1.00 0.00 C ATOM 476 C ASP A 33 -21.821 1.810 -1.044 1.00 0.00 C ATOM 477 O ASP A 33 -22.863 1.657 -1.681 1.00 0.00 O ATOM 478 CB ASP A 33 -22.673 4.106 -0.504 1.00 0.00 C ATOM 479 CG ASP A 33 -23.117 4.844 0.744 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.784 4.221 1.597 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.797 6.045 0.869 1.00 0.00 O ATOM 0 H ASP A 33 -19.759 3.130 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.639 2.799 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -22.297 4.824 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -23.533 3.613 -0.956 1.00 0.00 H new ATOM 486 N GLY A 34 -20.839 0.912 -1.037 1.00 0.00 N ATOM 487 CA GLY A 34 -20.960 -0.317 -1.802 1.00 0.00 C ATOM 488 C GLY A 34 -20.984 -1.552 -0.924 1.00 0.00 C ATOM 489 O GLY A 34 -20.735 -2.661 -1.397 1.00 0.00 O ATOM 0 H GLY A 34 -19.966 1.013 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.873 -0.281 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.126 -0.389 -2.501 1.00 0.00 H new ATOM 493 N ASP A 35 -21.281 -1.361 0.359 1.00 0.00 N ATOM 494 CA ASP A 35 -21.334 -2.467 1.311 1.00 0.00 C ATOM 495 C ASP A 35 -20.129 -3.384 1.151 1.00 0.00 C ATOM 496 O ASP A 35 -20.211 -4.590 1.387 1.00 0.00 O ATOM 497 CB ASP A 35 -22.630 -3.261 1.138 1.00 0.00 C ATOM 498 CG ASP A 35 -23.720 -2.801 2.086 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.405 -2.516 3.260 1.00 0.00 O ATOM 500 OD2 ASP A 35 -24.890 -2.726 1.654 1.00 0.00 O ATOM 0 H ASP A 35 -21.489 -0.448 0.764 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.311 -2.047 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.980 -3.161 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.430 -4.319 1.305 1.00 0.00 H new ATOM 505 N LYS A 36 -19.012 -2.797 0.749 1.00 0.00 N ATOM 506 CA LYS A 36 -17.784 -3.533 0.553 1.00 0.00 C ATOM 507 C LYS A 36 -16.643 -2.876 1.317 1.00 0.00 C ATOM 508 O LYS A 36 -16.508 -1.654 1.320 1.00 0.00 O ATOM 509 CB LYS A 36 -17.471 -3.632 -0.935 1.00 0.00 C ATOM 510 CG LYS A 36 -16.904 -2.358 -1.525 1.00 0.00 C ATOM 511 CD LYS A 36 -15.406 -2.279 -1.308 1.00 0.00 C ATOM 512 CE LYS A 36 -14.639 -2.469 -2.608 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.083 -3.845 -2.729 1.00 0.00 N ATOM 0 H LYS A 36 -18.937 -1.799 0.551 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.905 -4.543 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.760 -4.443 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.382 -3.896 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.123 -2.318 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.387 -1.495 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.152 -1.312 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.101 -3.041 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.300 -2.269 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.827 -1.744 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.418 -3.882 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.585 -4.097 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.858 -4.519 -2.893 1.00 0.00 H new ATOM 527 N VAL A 37 -15.832 -3.696 1.973 1.00 0.00 N ATOM 528 CA VAL A 37 -14.714 -3.202 2.756 1.00 0.00 C ATOM 529 C VAL A 37 -13.487 -4.089 2.594 1.00 0.00 C ATOM 530 O VAL A 37 -13.586 -5.245 2.184 1.00 0.00 O ATOM 531 CB VAL A 37 -15.066 -3.118 4.258 1.00 0.00 C ATOM 532 CG1 VAL A 37 -13.986 -2.374 5.033 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.427 -2.465 4.469 1.00 0.00 C ATOM 0 H VAL A 37 -15.931 -4.711 1.976 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.493 -2.203 2.381 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.118 -4.137 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.260 -2.330 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.036 -2.897 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.889 -1.362 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.647 -2.420 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.414 -1.456 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.194 -3.052 3.964 1.00 0.00 H new ATOM 543 N HIS A 38 -12.334 -3.534 2.935 1.00 0.00 N ATOM 544 CA HIS A 38 -11.073 -4.254 2.853 1.00 0.00 C ATOM 545 C HIS A 38 -10.084 -3.687 3.865 1.00 0.00 C ATOM 546 O HIS A 38 -9.681 -2.528 3.772 1.00 0.00 O ATOM 547 CB HIS A 38 -10.496 -4.161 1.438 1.00 0.00 C ATOM 548 CG HIS A 38 -10.231 -5.494 0.812 1.00 0.00 C ATOM 549 ND1 HIS A 38 -9.459 -6.468 1.410 1.00 0.00 N ATOM 550 CD2 HIS A 38 -10.643 -6.016 -0.369 1.00 0.00 C ATOM 551 CE1 HIS A 38 -9.405 -7.529 0.625 1.00 0.00 C ATOM 552 NE2 HIS A 38 -10.116 -7.281 -0.460 1.00 0.00 N ATOM 0 H HIS A 38 -12.246 -2.576 3.275 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.253 -5.304 3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.189 -3.604 0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.567 -3.592 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.269 -5.528 -1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.870 -8.444 0.835 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.252 -7.925 -1.239 1.00 0.00 H new ATOM 561 N THR A 39 -9.704 -4.508 4.835 1.00 0.00 N ATOM 562 CA THR A 39 -8.775 -4.091 5.868 1.00 0.00 C ATOM 563 C THR A 39 -7.447 -4.829 5.736 1.00 0.00 C ATOM 564 O THR A 39 -7.420 -6.028 5.460 1.00 0.00 O ATOM 565 CB THR A 39 -9.373 -4.344 7.253 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.747 -3.996 7.284 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.677 -3.574 8.353 1.00 0.00 C ATOM 0 H THR A 39 -10.029 -5.471 4.925 1.00 0.00 H new ATOM 0 HA THR A 39 -8.592 -3.023 5.746 1.00 0.00 H new ATOM 0 HB THR A 39 -9.236 -5.410 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.146 -4.313 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.150 -3.798 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.627 -3.863 8.391 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.752 -2.505 8.153 1.00 0.00 H new ATOM 575 N VAL A 40 -6.347 -4.112 5.939 1.00 0.00 N ATOM 576 CA VAL A 40 -5.022 -4.713 5.845 1.00 0.00 C ATOM 577 C VAL A 40 -4.197 -4.431 7.099 1.00 0.00 C ATOM 578 O VAL A 40 -4.255 -3.338 7.662 1.00 0.00 O ATOM 579 CB VAL A 40 -4.255 -4.214 4.599 1.00 0.00 C ATOM 580 CG1 VAL A 40 -5.177 -4.147 3.391 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.611 -2.860 4.860 1.00 0.00 C ATOM 0 H VAL A 40 -6.346 -3.118 6.169 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.171 -5.789 5.752 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.460 -4.929 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.617 -3.793 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.578 -5.139 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.998 -3.460 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.078 -2.532 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.383 -2.132 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.910 -2.944 5.691 1.00 0.00 H new ATOM 591 N VAL A 41 -3.430 -5.426 7.525 1.00 0.00 N ATOM 592 CA VAL A 41 -2.589 -5.298 8.706 1.00 0.00 C ATOM 593 C VAL A 41 -1.113 -5.255 8.320 1.00 0.00 C ATOM 594 O VAL A 41 -0.683 -5.959 7.408 1.00 0.00 O ATOM 595 CB VAL A 41 -2.829 -6.465 9.684 1.00 0.00 C ATOM 596 CG1 VAL A 41 -2.299 -7.773 9.112 1.00 0.00 C ATOM 597 CG2 VAL A 41 -2.198 -6.170 11.038 1.00 0.00 C ATOM 0 H VAL A 41 -3.374 -6.335 7.067 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.856 -4.363 9.198 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.904 -6.573 9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.481 -8.580 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.808 -7.993 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.228 -7.683 8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.379 -7.006 11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.124 -6.028 10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.639 -5.265 11.455 1.00 0.00 H new ATOM 607 N LEU A 42 -0.345 -4.422 9.012 1.00 0.00 N ATOM 608 CA LEU A 42 1.079 -4.283 8.733 1.00 0.00 C ATOM 609 C LEU A 42 1.783 -5.633 8.698 1.00 0.00 C ATOM 610 O LEU A 42 2.717 -5.834 7.922 1.00 0.00 O ATOM 611 CB LEU A 42 1.732 -3.382 9.773 1.00 0.00 C ATOM 612 CG LEU A 42 2.138 -2.006 9.248 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.746 -0.920 10.233 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.632 -1.959 8.964 1.00 0.00 C ATOM 0 H LEU A 42 -0.685 -3.832 9.771 1.00 0.00 H new ATOM 0 HA LEU A 42 1.179 -3.831 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.042 -3.251 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.616 -3.883 10.167 1.00 0.00 H new ATOM 0 HG LEU A 42 1.607 -1.827 8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.044 0.052 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.666 -0.936 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.246 -1.095 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.901 -0.971 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.183 -2.163 9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.884 -2.710 8.215 1.00 0.00 H new ATOM 626 N SER A 43 1.330 -6.558 9.536 1.00 0.00 N ATOM 627 CA SER A 43 1.923 -7.892 9.588 1.00 0.00 C ATOM 628 C SER A 43 2.097 -8.453 8.178 1.00 0.00 C ATOM 629 O SER A 43 3.046 -9.186 7.900 1.00 0.00 O ATOM 630 CB SER A 43 1.051 -8.832 10.423 1.00 0.00 C ATOM 631 OG SER A 43 1.840 -9.804 11.086 1.00 0.00 O ATOM 0 H SER A 43 0.558 -6.412 10.186 1.00 0.00 H new ATOM 0 HA SER A 43 2.903 -7.814 10.058 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.487 -8.255 11.156 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.324 -9.327 9.779 1.00 0.00 H new ATOM 0 HG SER A 43 1.260 -10.391 11.614 1.00 0.00 H new ATOM 637 N THR A 44 1.176 -8.087 7.291 1.00 0.00 N ATOM 638 CA THR A 44 1.211 -8.522 5.913 1.00 0.00 C ATOM 639 C THR A 44 1.933 -7.492 5.056 1.00 0.00 C ATOM 640 O THR A 44 2.513 -7.816 4.022 1.00 0.00 O ATOM 641 CB THR A 44 -0.215 -8.696 5.420 1.00 0.00 C ATOM 642 OG1 THR A 44 -0.915 -7.465 5.467 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.004 -9.704 6.223 1.00 0.00 C ATOM 0 H THR A 44 0.387 -7.480 7.515 1.00 0.00 H new ATOM 0 HA THR A 44 1.747 -9.468 5.841 1.00 0.00 H new ATOM 0 HB THR A 44 -0.126 -9.060 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.000 -7.172 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.014 -9.781 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.516 -10.677 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.053 -9.382 7.263 1.00 0.00 H new ATOM 651 N ILE A 45 1.881 -6.245 5.501 1.00 0.00 N ATOM 652 CA ILE A 45 2.519 -5.143 4.798 1.00 0.00 C ATOM 653 C ILE A 45 3.488 -4.407 5.720 1.00 0.00 C ATOM 654 O ILE A 45 3.070 -3.726 6.655 1.00 0.00 O ATOM 655 CB ILE A 45 1.466 -4.156 4.246 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.135 -2.861 3.749 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.399 -3.863 5.294 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.970 -1.670 4.674 1.00 0.00 C ATOM 0 H ILE A 45 1.397 -5.970 6.356 1.00 0.00 H new ATOM 0 HA ILE A 45 3.077 -5.560 3.959 1.00 0.00 H new ATOM 0 HB ILE A 45 0.974 -4.622 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.199 -3.049 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.723 -2.606 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.332 -3.166 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.101 -4.790 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.866 -3.423 6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.472 -0.803 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.910 -1.450 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.409 -1.900 5.645 1.00 0.00 H new ATOM 670 N ASP A 46 4.786 -4.554 5.461 1.00 0.00 N ATOM 671 CA ASP A 46 5.797 -3.905 6.288 1.00 0.00 C ATOM 672 C ASP A 46 6.489 -2.765 5.557 1.00 0.00 C ATOM 673 O ASP A 46 7.606 -2.380 5.900 1.00 0.00 O ATOM 674 CB ASP A 46 6.829 -4.924 6.774 1.00 0.00 C ATOM 675 CG ASP A 46 6.231 -5.948 7.718 1.00 0.00 C ATOM 676 OD1 ASP A 46 5.923 -5.582 8.872 1.00 0.00 O ATOM 677 OD2 ASP A 46 6.070 -7.115 7.304 1.00 0.00 O ATOM 0 H ASP A 46 5.158 -5.112 4.692 1.00 0.00 H new ATOM 0 HA ASP A 46 5.282 -3.479 7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.263 -5.436 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.642 -4.401 7.277 1.00 0.00 H new ATOM 682 N LYS A 47 5.809 -2.216 4.565 1.00 0.00 N ATOM 683 CA LYS A 47 6.346 -1.094 3.794 1.00 0.00 C ATOM 684 C LYS A 47 5.236 -0.328 3.080 1.00 0.00 C ATOM 685 O LYS A 47 4.358 -0.920 2.453 1.00 0.00 O ATOM 686 CB LYS A 47 7.395 -1.557 2.770 1.00 0.00 C ATOM 687 CG LYS A 47 7.923 -2.965 2.996 1.00 0.00 C ATOM 688 CD LYS A 47 8.953 -3.346 1.945 1.00 0.00 C ATOM 689 CE LYS A 47 10.283 -2.653 2.190 1.00 0.00 C ATOM 690 NZ LYS A 47 11.237 -3.528 2.927 1.00 0.00 N ATOM 0 H LYS A 47 4.883 -2.525 4.270 1.00 0.00 H new ATOM 0 HA LYS A 47 6.831 -0.428 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.958 -1.503 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.234 -0.861 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.370 -3.033 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.096 -3.674 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.098 -4.426 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.580 -3.080 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.721 -2.361 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.116 -1.738 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.132 -3.019 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.830 -3.787 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.416 -4.390 2.373 1.00 0.00 H new ATOM 704 N LEU A 48 5.295 0.998 3.176 1.00 0.00 N ATOM 705 CA LEU A 48 4.310 1.866 2.538 1.00 0.00 C ATOM 706 C LEU A 48 5.010 2.884 1.635 1.00 0.00 C ATOM 707 O LEU A 48 5.806 3.697 2.106 1.00 0.00 O ATOM 708 CB LEU A 48 3.478 2.599 3.597 1.00 0.00 C ATOM 709 CG LEU A 48 2.243 3.331 3.064 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.651 4.585 2.307 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.419 2.413 2.174 1.00 0.00 C ATOM 0 H LEU A 48 6.019 1.497 3.693 1.00 0.00 H new ATOM 0 HA LEU A 48 3.646 1.248 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.157 1.877 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.118 3.321 4.103 1.00 0.00 H new ATOM 0 HG LEU A 48 1.627 3.628 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.760 5.092 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.196 5.252 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.289 4.311 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.546 2.951 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.025 2.084 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.094 1.545 2.748 1.00 0.00 H new ATOM 723 N GLN A 49 4.713 2.837 0.341 1.00 0.00 N ATOM 724 CA GLN A 49 5.317 3.757 -0.622 1.00 0.00 C ATOM 725 C GLN A 49 4.315 4.838 -1.027 1.00 0.00 C ATOM 726 O GLN A 49 3.240 4.539 -1.546 1.00 0.00 O ATOM 727 CB GLN A 49 5.785 2.988 -1.860 1.00 0.00 C ATOM 728 CG GLN A 49 7.231 2.521 -1.779 1.00 0.00 C ATOM 729 CD GLN A 49 7.556 1.843 -0.462 1.00 0.00 C ATOM 730 OE1 GLN A 49 7.460 0.622 -0.339 1.00 0.00 O ATOM 731 NE2 GLN A 49 7.945 2.634 0.531 1.00 0.00 N ATOM 0 H GLN A 49 4.057 2.171 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 49 6.177 4.235 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.140 2.121 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.666 3.623 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.431 1.830 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.893 3.376 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.011 3.641 0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.178 2.234 1.440 1.00 0.00 H new ATOM 740 N ALA A 50 4.673 6.094 -0.777 1.00 0.00 N ATOM 741 CA ALA A 50 3.806 7.222 -1.105 1.00 0.00 C ATOM 742 C ALA A 50 4.532 8.237 -1.982 1.00 0.00 C ATOM 743 O ALA A 50 5.757 8.210 -2.096 1.00 0.00 O ATOM 744 CB ALA A 50 3.313 7.890 0.170 1.00 0.00 C ATOM 0 H ALA A 50 5.560 6.357 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 50 2.951 6.842 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.667 8.730 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.752 7.169 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.166 8.250 0.745 1.00 0.00 H new ATOM 750 N THR A 51 3.768 9.134 -2.598 1.00 0.00 N ATOM 751 CA THR A 51 4.339 10.160 -3.463 1.00 0.00 C ATOM 752 C THR A 51 4.893 11.319 -2.636 1.00 0.00 C ATOM 753 O THR A 51 4.569 11.460 -1.456 1.00 0.00 O ATOM 754 CB THR A 51 3.285 10.676 -4.447 1.00 0.00 C ATOM 755 OG1 THR A 51 2.010 10.136 -4.150 1.00 0.00 O ATOM 756 CG2 THR A 51 3.600 10.341 -5.888 1.00 0.00 C ATOM 0 H THR A 51 2.752 9.171 -2.514 1.00 0.00 H new ATOM 0 HA THR A 51 5.158 9.712 -4.025 1.00 0.00 H new ATOM 0 HB THR A 51 3.289 11.760 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.344 10.513 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.815 10.735 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.555 10.788 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.658 9.259 -6.006 1.00 0.00 H new ATOM 764 N PRO A 52 5.740 12.167 -3.246 1.00 0.00 N ATOM 765 CA PRO A 52 6.338 13.315 -2.558 1.00 0.00 C ATOM 766 C PRO A 52 5.317 14.408 -2.260 1.00 0.00 C ATOM 767 O PRO A 52 4.235 14.438 -2.846 1.00 0.00 O ATOM 768 CB PRO A 52 7.388 13.818 -3.550 1.00 0.00 C ATOM 769 CG PRO A 52 6.895 13.375 -4.883 1.00 0.00 C ATOM 770 CD PRO A 52 6.181 12.072 -4.650 1.00 0.00 C ATOM 0 HA PRO A 52 6.749 13.039 -1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.487 14.903 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.370 13.399 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.223 14.116 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.722 13.247 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.337 11.950 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.841 11.219 -4.806 1.00 0.00 H new ATOM 778 N ALA A 53 5.668 15.303 -1.342 1.00 0.00 N ATOM 779 CA ALA A 53 4.782 16.397 -0.963 1.00 0.00 C ATOM 780 C ALA A 53 4.453 17.282 -2.161 1.00 0.00 C ATOM 781 O ALA A 53 3.347 17.812 -2.267 1.00 0.00 O ATOM 782 CB ALA A 53 5.413 17.224 0.147 1.00 0.00 C ATOM 0 H ALA A 53 6.560 15.292 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 53 3.850 15.966 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.742 18.038 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.590 16.591 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.360 17.637 -0.200 1.00 0.00 H new ATOM 788 N SER A 54 5.419 17.438 -3.060 1.00 0.00 N ATOM 789 CA SER A 54 5.229 18.261 -4.250 1.00 0.00 C ATOM 790 C SER A 54 4.848 17.405 -5.455 1.00 0.00 C ATOM 791 O SER A 54 5.083 17.791 -6.600 1.00 0.00 O ATOM 792 CB SER A 54 6.501 19.053 -4.555 1.00 0.00 C ATOM 793 OG SER A 54 6.928 19.790 -3.422 1.00 0.00 O ATOM 0 H SER A 54 6.340 17.006 -2.988 1.00 0.00 H new ATOM 0 HA SER A 54 4.413 18.956 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.291 18.371 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.319 19.733 -5.387 1.00 0.00 H new ATOM 0 HG SER A 54 7.744 20.286 -3.643 1.00 0.00 H new ATOM 799 N SER A 55 4.261 16.241 -5.192 1.00 0.00 N ATOM 800 CA SER A 55 3.851 15.336 -6.255 1.00 0.00 C ATOM 801 C SER A 55 2.626 15.872 -6.987 1.00 0.00 C ATOM 802 O SER A 55 1.967 16.801 -6.519 1.00 0.00 O ATOM 803 CB SER A 55 3.550 13.949 -5.685 1.00 0.00 C ATOM 804 OG SER A 55 2.279 13.919 -5.058 1.00 0.00 O ATOM 0 H SER A 55 4.060 15.904 -4.250 1.00 0.00 H new ATOM 0 HA SER A 55 4.673 15.260 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.582 13.209 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.321 13.673 -4.965 1.00 0.00 H new ATOM 0 HG SER A 55 2.385 14.071 -4.096 1.00 0.00 H new ATOM 810 N GLU A 56 2.323 15.278 -8.136 1.00 0.00 N ATOM 811 CA GLU A 56 1.173 15.693 -8.932 1.00 0.00 C ATOM 812 C GLU A 56 0.080 14.627 -8.911 1.00 0.00 C ATOM 813 O GLU A 56 -0.771 14.580 -9.799 1.00 0.00 O ATOM 814 CB GLU A 56 1.599 15.973 -10.374 1.00 0.00 C ATOM 815 CG GLU A 56 0.569 16.756 -11.172 1.00 0.00 C ATOM 816 CD GLU A 56 0.424 16.248 -12.593 1.00 0.00 C ATOM 817 OE1 GLU A 56 1.262 16.614 -13.444 1.00 0.00 O ATOM 818 OE2 GLU A 56 -0.529 15.484 -12.856 1.00 0.00 O ATOM 0 H GLU A 56 2.858 14.508 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 56 0.772 16.607 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.538 16.527 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.793 15.026 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.396 16.698 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.854 17.808 -11.193 1.00 0.00 H new ATOM 825 N LYS A 57 0.108 13.773 -7.891 1.00 0.00 N ATOM 826 CA LYS A 57 -0.876 12.712 -7.754 1.00 0.00 C ATOM 827 C LYS A 57 -0.865 12.141 -6.339 1.00 0.00 C ATOM 828 O LYS A 57 -0.006 11.329 -5.994 1.00 0.00 O ATOM 829 CB LYS A 57 -0.598 11.605 -8.772 1.00 0.00 C ATOM 830 CG LYS A 57 -1.739 11.376 -9.749 1.00 0.00 C ATOM 831 CD LYS A 57 -2.929 10.717 -9.071 1.00 0.00 C ATOM 832 CE LYS A 57 -2.931 9.212 -9.287 1.00 0.00 C ATOM 833 NZ LYS A 57 -3.857 8.809 -10.381 1.00 0.00 N ATOM 0 H LYS A 57 0.805 13.799 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.864 13.132 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.303 11.855 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.395 10.676 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.046 12.328 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.395 10.749 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.905 10.932 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.853 11.143 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.921 8.878 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.222 8.713 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.829 7.776 -10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.825 9.105 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.564 9.265 -11.269 1.00 0.00 H new ATOM 847 N MET A 58 -1.821 12.574 -5.525 1.00 0.00 N ATOM 848 CA MET A 58 -1.920 12.110 -4.147 1.00 0.00 C ATOM 849 C MET A 58 -2.324 10.640 -4.090 1.00 0.00 C ATOM 850 O MET A 58 -3.494 10.301 -4.265 1.00 0.00 O ATOM 851 CB MET A 58 -2.930 12.959 -3.370 1.00 0.00 C ATOM 852 CG MET A 58 -4.224 13.217 -4.127 1.00 0.00 C ATOM 853 SD MET A 58 -4.302 14.876 -4.828 1.00 0.00 S ATOM 854 CE MET A 58 -4.274 15.874 -3.342 1.00 0.00 C ATOM 0 H MET A 58 -2.539 13.246 -5.796 1.00 0.00 H new ATOM 0 HA MET A 58 -0.937 12.214 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.163 12.460 -2.429 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.470 13.915 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.324 12.484 -4.927 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.069 13.071 -3.454 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.766 16.816 -3.546 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.296 16.075 -3.020 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.744 15.339 -2.554 1.00 0.00 H new ATOM 864 N MET A 59 -1.348 9.770 -3.843 1.00 0.00 N ATOM 865 CA MET A 59 -1.604 8.335 -3.759 1.00 0.00 C ATOM 866 C MET A 59 -0.447 7.610 -3.080 1.00 0.00 C ATOM 867 O MET A 59 0.696 8.064 -3.131 1.00 0.00 O ATOM 868 CB MET A 59 -1.837 7.737 -5.151 1.00 0.00 C ATOM 869 CG MET A 59 -1.091 8.447 -6.268 1.00 0.00 C ATOM 870 SD MET A 59 -0.180 7.310 -7.333 1.00 0.00 S ATOM 871 CE MET A 59 1.500 7.598 -6.781 1.00 0.00 C ATOM 0 H MET A 59 -0.373 10.033 -3.698 1.00 0.00 H new ATOM 0 HA MET A 59 -2.504 8.200 -3.160 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.537 6.689 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.904 7.761 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.801 9.012 -6.871 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.397 9.167 -5.835 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.107 6.716 -6.987 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.915 8.456 -7.310 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.502 7.797 -5.709 1.00 0.00 H new ATOM 881 N LEU A 60 -0.754 6.480 -2.448 1.00 0.00 N ATOM 882 CA LEU A 60 0.259 5.682 -1.766 1.00 0.00 C ATOM 883 C LEU A 60 -0.051 4.193 -1.877 1.00 0.00 C ATOM 884 O LEU A 60 -1.203 3.778 -1.748 1.00 0.00 O ATOM 885 CB LEU A 60 0.372 6.083 -0.291 1.00 0.00 C ATOM 886 CG LEU A 60 -0.902 6.649 0.336 1.00 0.00 C ATOM 887 CD1 LEU A 60 -0.807 6.615 1.853 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.145 8.067 -0.153 1.00 0.00 C ATOM 0 H LEU A 60 -1.698 6.097 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 60 1.214 5.876 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.681 5.209 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.165 6.825 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.746 6.029 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.722 7.021 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.675 5.586 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.044 7.214 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.055 8.458 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.301 8.698 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.253 8.064 -1.238 1.00 0.00 H new ATOM 900 N ARG A 61 0.985 3.393 -2.102 1.00 0.00 N ATOM 901 CA ARG A 61 0.825 1.948 -2.213 1.00 0.00 C ATOM 902 C ARG A 61 1.572 1.246 -1.083 1.00 0.00 C ATOM 903 O ARG A 61 2.654 1.673 -0.683 1.00 0.00 O ATOM 904 CB ARG A 61 1.323 1.447 -3.576 1.00 0.00 C ATOM 905 CG ARG A 61 2.808 1.116 -3.616 1.00 0.00 C ATOM 906 CD ARG A 61 3.191 0.404 -4.904 1.00 0.00 C ATOM 907 NE ARG A 61 4.244 -0.585 -4.683 1.00 0.00 N ATOM 908 CZ ARG A 61 5.307 -0.740 -5.473 1.00 0.00 C ATOM 909 NH1 ARG A 61 5.459 0.009 -6.558 1.00 0.00 N ATOM 910 NH2 ARG A 61 6.221 -1.653 -5.176 1.00 0.00 N ATOM 0 H ARG A 61 1.945 3.721 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.236 1.713 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.757 0.558 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.111 2.206 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.388 2.034 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.064 0.488 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.313 -0.087 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.528 1.136 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 61 4.160 -1.197 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.759 0.712 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.276 -0.118 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.110 -2.234 -4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.035 -1.774 -5.778 1.00 0.00 H new ATOM 924 N LEU A 62 0.990 0.172 -0.575 1.00 0.00 N ATOM 925 CA LEU A 62 1.599 -0.588 0.509 1.00 0.00 C ATOM 926 C LEU A 62 2.104 -1.931 0.012 1.00 0.00 C ATOM 927 O LEU A 62 1.457 -2.605 -0.788 1.00 0.00 O ATOM 928 CB LEU A 62 0.629 -0.765 1.678 1.00 0.00 C ATOM 929 CG LEU A 62 -0.582 0.174 1.683 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.796 -0.514 1.078 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.885 0.645 3.098 1.00 0.00 C ATOM 0 H LEU A 62 0.094 -0.196 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 62 2.454 -0.019 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.268 -1.794 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.180 -0.623 2.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.343 1.045 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.645 0.169 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.577 -0.801 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.037 -1.404 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.748 1.311 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.102 -0.216 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.022 1.178 3.497 1.00 0.00 H new ATOM 943 N ILE A 63 3.289 -2.286 0.477 1.00 0.00 N ATOM 944 CA ILE A 63 3.943 -3.518 0.082 1.00 0.00 C ATOM 945 C ILE A 63 3.514 -4.686 0.965 1.00 0.00 C ATOM 946 O ILE A 63 3.456 -4.564 2.182 1.00 0.00 O ATOM 947 CB ILE A 63 5.474 -3.338 0.178 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.073 -3.081 -1.201 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.130 -4.533 0.843 1.00 0.00 C ATOM 950 CD1 ILE A 63 5.943 -1.640 -1.639 1.00 0.00 C ATOM 0 H ILE A 63 3.825 -1.726 1.140 1.00 0.00 H new ATOM 0 HA ILE A 63 3.652 -3.744 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 63 5.671 -2.467 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.127 -3.359 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.581 -3.723 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.207 -4.375 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.732 -4.653 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.923 -5.432 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.387 -1.519 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.889 -1.365 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.459 -0.995 -0.928 1.00 0.00 H new ATOM 962 N GLY A 64 3.242 -5.828 0.340 1.00 0.00 N ATOM 963 CA GLY A 64 2.850 -7.006 1.088 1.00 0.00 C ATOM 964 C GLY A 64 4.056 -7.787 1.567 1.00 0.00 C ATOM 965 O GLY A 64 4.111 -9.008 1.421 1.00 0.00 O ATOM 0 H GLY A 64 3.286 -5.957 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.244 -6.710 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.227 -7.645 0.462 1.00 0.00 H new ATOM 969 N LYS A 65 5.022 -7.060 2.136 1.00 0.00 N ATOM 970 CA LYS A 65 6.269 -7.623 2.655 1.00 0.00 C ATOM 971 C LYS A 65 6.800 -8.764 1.789 1.00 0.00 C ATOM 972 O LYS A 65 6.231 -9.098 0.751 1.00 0.00 O ATOM 973 CB LYS A 65 6.102 -8.079 4.106 1.00 0.00 C ATOM 974 CG LYS A 65 4.898 -8.977 4.348 1.00 0.00 C ATOM 975 CD LYS A 65 5.309 -10.411 4.647 1.00 0.00 C ATOM 976 CE LYS A 65 4.680 -11.390 3.666 1.00 0.00 C ATOM 977 NZ LYS A 65 5.665 -11.882 2.664 1.00 0.00 N ATOM 0 H LYS A 65 4.957 -6.048 2.250 1.00 0.00 H new ATOM 0 HA LYS A 65 7.011 -6.825 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.003 -8.610 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.017 -7.199 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.315 -8.585 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.251 -8.960 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.395 -10.496 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.011 -10.671 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.265 -12.236 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.850 -10.906 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.370 -12.817 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.712 -11.216 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.603 -11.958 3.107 1.00 0.00 H new ATOM 991 N VAL A 66 7.917 -9.343 2.208 1.00 0.00 N ATOM 992 CA VAL A 66 8.534 -10.419 1.468 1.00 0.00 C ATOM 993 C VAL A 66 9.273 -11.375 2.399 1.00 0.00 C ATOM 994 O VAL A 66 9.555 -11.044 3.550 1.00 0.00 O ATOM 995 CB VAL A 66 9.507 -9.865 0.432 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.972 -10.957 -0.522 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.877 -8.706 -0.332 1.00 0.00 C ATOM 0 H VAL A 66 8.411 -9.079 3.061 1.00 0.00 H new ATOM 0 HA VAL A 66 7.740 -10.969 0.962 1.00 0.00 H new ATOM 0 HB VAL A 66 10.384 -9.489 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.665 -10.534 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.474 -11.743 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.111 -11.377 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.587 -8.325 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.978 -9.052 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.614 -7.911 0.365 1.00 0.00 H new ATOM 1311 N ARG A 86 1.495 -6.001 -4.276 1.00 0.00 N ATOM 1312 CA ARG A 86 1.286 -4.658 -3.749 1.00 0.00 C ATOM 1313 C ARG A 86 -0.070 -4.095 -4.151 1.00 0.00 C ATOM 1314 O ARG A 86 -0.765 -4.649 -5.002 1.00 0.00 O ATOM 1315 CB ARG A 86 2.396 -3.722 -4.225 1.00 0.00 C ATOM 1316 CG ARG A 86 3.693 -3.892 -3.458 1.00 0.00 C ATOM 1317 CD ARG A 86 4.827 -4.343 -4.365 1.00 0.00 C ATOM 1318 NE ARG A 86 4.576 -5.662 -4.942 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.217 -6.141 -6.005 1.00 0.00 C ATOM 1320 NH1 ARG A 86 6.149 -5.415 -6.610 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.927 -7.351 -6.464 1.00 0.00 N ATOM 0 HA ARG A 86 1.310 -4.729 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.582 -3.900 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.058 -2.690 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.961 -2.949 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.552 -4.622 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.961 -3.616 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.757 -4.367 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 86 3.867 -6.250 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.377 -4.484 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.637 -5.788 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.213 -7.914 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.418 -7.719 -7.279 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.429 -2.979 -3.527 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.693 -2.306 -3.801 1.00 0.00 C ATOM 1337 C HIS A 87 -1.529 -0.801 -3.628 1.00 0.00 C ATOM 1338 O HIS A 87 -0.899 -0.346 -2.673 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.799 -2.827 -2.877 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.307 -3.284 -1.538 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.311 -2.811 -0.752 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -2.853 -4.353 -0.859 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -1.274 -3.595 0.374 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -2.215 -4.517 0.286 1.00 0.00 N flip ATOM 0 H HIS A 87 0.144 -2.517 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.981 -2.518 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.538 -2.039 -2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.309 -3.656 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.674 -4.961 -1.209 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.586 -3.477 1.198 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -2.415 -5.234 0.983 1.00 0.00 H new ATOM 1353 N MET A 88 -2.083 -0.032 -4.557 1.00 0.00 N ATOM 1354 CA MET A 88 -1.972 1.420 -4.496 1.00 0.00 C ATOM 1355 C MET A 88 -3.289 2.072 -4.091 1.00 0.00 C ATOM 1356 O MET A 88 -4.369 1.546 -4.362 1.00 0.00 O ATOM 1357 CB MET A 88 -1.506 1.969 -5.843 1.00 0.00 C ATOM 1358 CG MET A 88 -2.538 1.833 -6.953 1.00 0.00 C ATOM 1359 SD MET A 88 -2.863 3.395 -7.801 1.00 0.00 S ATOM 1360 CE MET A 88 -3.324 2.820 -9.436 1.00 0.00 C ATOM 0 H MET A 88 -2.610 -0.386 -5.356 1.00 0.00 H new ATOM 0 HA MET A 88 -1.234 1.663 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.249 3.022 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.595 1.449 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.191 1.097 -7.678 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.469 1.452 -6.533 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.678 3.285 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.214 1.737 -9.485 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.361 3.089 -9.637 1.00 0.00 H new ATOM 1370 N PHE A 89 -3.184 3.228 -3.443 1.00 0.00 N ATOM 1371 CA PHE A 89 -4.355 3.972 -2.996 1.00 0.00 C ATOM 1372 C PHE A 89 -4.337 5.391 -3.557 1.00 0.00 C ATOM 1373 O PHE A 89 -3.410 6.159 -3.298 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.402 4.023 -1.468 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.276 2.970 -0.851 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.853 1.653 -0.779 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.519 3.300 -0.337 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.655 0.684 -0.205 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -7.326 2.337 0.236 1.00 0.00 C ATOM 1380 CZ PHE A 89 -6.893 1.027 0.303 1.00 0.00 C ATOM 0 H PHE A 89 -2.294 3.671 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.244 3.459 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.389 3.914 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.759 5.005 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.886 1.380 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.861 4.323 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.314 -0.340 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.294 2.608 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.521 0.272 0.752 1.00 0.00 H new ATOM 1390 N SER A 90 -5.366 5.734 -4.322 1.00 0.00 N ATOM 1391 CA SER A 90 -5.469 7.063 -4.915 1.00 0.00 C ATOM 1392 C SER A 90 -6.266 7.995 -4.010 1.00 0.00 C ATOM 1393 O SER A 90 -7.443 7.759 -3.741 1.00 0.00 O ATOM 1394 CB SER A 90 -6.130 6.981 -6.292 1.00 0.00 C ATOM 1395 OG SER A 90 -5.858 5.738 -6.916 1.00 0.00 O ATOM 0 H SER A 90 -6.141 5.111 -4.547 1.00 0.00 H new ATOM 0 HA SER A 90 -4.462 7.465 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.207 7.112 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.768 7.794 -6.921 1.00 0.00 H new ATOM 0 HG SER A 90 -6.293 5.710 -7.794 1.00 0.00 H new ATOM 1401 N PHE A 91 -5.618 9.054 -3.541 1.00 0.00 N ATOM 1402 CA PHE A 91 -6.268 10.018 -2.663 1.00 0.00 C ATOM 1403 C PHE A 91 -6.721 11.243 -3.448 1.00 0.00 C ATOM 1404 O PHE A 91 -6.283 11.466 -4.577 1.00 0.00 O ATOM 1405 CB PHE A 91 -5.320 10.439 -1.539 1.00 0.00 C ATOM 1406 CG PHE A 91 -4.982 9.323 -0.591 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -4.348 8.179 -1.046 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.298 9.419 0.755 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -4.035 7.152 -0.177 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -4.988 8.393 1.628 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.356 7.258 1.161 1.00 0.00 C ATOM 0 H PHE A 91 -4.643 9.267 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.145 9.541 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.399 10.825 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.774 11.256 -0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.095 8.089 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.792 10.305 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.539 6.266 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.240 8.479 2.675 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.113 6.455 1.841 1.00 0.00 H new ATOM 1421 N ASN A 92 -7.604 12.032 -2.846 1.00 0.00 N ATOM 1422 CA ASN A 92 -8.119 13.232 -3.494 1.00 0.00 C ATOM 1423 C ASN A 92 -7.606 14.493 -2.803 1.00 0.00 C ATOM 1424 O ASN A 92 -7.526 15.557 -3.417 1.00 0.00 O ATOM 1425 CB ASN A 92 -9.652 13.223 -3.497 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.234 11.828 -3.658 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -10.976 11.352 -2.799 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.898 11.166 -4.760 1.00 0.00 N ATOM 0 H ASN A 92 -7.977 11.863 -1.912 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.762 13.236 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.015 13.658 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.013 13.858 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.258 10.225 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.280 11.599 -5.446 1.00 0.00 H new ATOM 1435 N ASN A 93 -7.257 14.370 -1.524 1.00 0.00 N ATOM 1436 CA ASN A 93 -6.751 15.504 -0.758 1.00 0.00 C ATOM 1437 C ASN A 93 -5.326 15.246 -0.277 1.00 0.00 C ATOM 1438 O ASN A 93 -4.968 14.118 0.061 1.00 0.00 O ATOM 1439 CB ASN A 93 -7.664 15.788 0.437 1.00 0.00 C ATOM 1440 CG ASN A 93 -8.006 17.259 0.566 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -7.241 18.126 0.143 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -9.161 17.549 1.154 1.00 0.00 N ATOM 0 H ASN A 93 -7.316 13.498 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.740 16.376 -1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.583 15.212 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.177 15.449 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.444 18.522 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.765 16.799 1.490 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.516 16.300 -0.253 1.00 0.00 N ATOM 1450 CA ARG A 94 -3.127 16.193 0.182 1.00 0.00 C ATOM 1451 C ARG A 94 -3.038 15.847 1.667 1.00 0.00 C ATOM 1452 O ARG A 94 -2.102 15.176 2.101 1.00 0.00 O ATOM 1453 CB ARG A 94 -2.383 17.500 -0.093 1.00 0.00 C ATOM 1454 CG ARG A 94 -1.741 17.557 -1.470 1.00 0.00 C ATOM 1455 CD ARG A 94 -1.720 18.975 -2.017 1.00 0.00 C ATOM 1456 NE ARG A 94 -1.749 18.998 -3.478 1.00 0.00 N ATOM 1457 CZ ARG A 94 -0.711 18.670 -4.244 1.00 0.00 C ATOM 1458 NH1 ARG A 94 0.436 18.293 -3.695 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -0.822 18.718 -5.565 1.00 0.00 N ATOM 0 H ARG A 94 -4.798 17.240 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.660 15.388 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.079 18.333 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.611 17.635 0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.723 17.173 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.289 16.910 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.576 19.526 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.825 19.487 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.614 19.282 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.527 18.253 -2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.227 18.043 -4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.702 19.006 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.027 18.467 -6.153 1.00 0.00 H new ATOM 1473 N THR A 95 -4.010 16.316 2.442 1.00 0.00 N ATOM 1474 CA THR A 95 -4.032 16.059 3.875 1.00 0.00 C ATOM 1475 C THR A 95 -4.476 14.632 4.171 1.00 0.00 C ATOM 1476 O THR A 95 -3.997 14.009 5.118 1.00 0.00 O ATOM 1477 CB THR A 95 -4.957 17.053 4.580 1.00 0.00 C ATOM 1478 OG1 THR A 95 -4.811 18.350 4.031 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.703 17.153 6.069 1.00 0.00 C ATOM 0 H THR A 95 -4.792 16.876 2.101 1.00 0.00 H new ATOM 0 HA THR A 95 -3.018 16.186 4.254 1.00 0.00 H new ATOM 0 HB THR A 95 -5.966 16.670 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.412 18.971 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.392 17.874 6.508 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.856 16.178 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.677 17.479 6.242 1.00 0.00 H new ATOM 1487 N VAL A 96 -5.389 14.116 3.357 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.885 12.759 3.539 1.00 0.00 C ATOM 1489 C VAL A 96 -4.747 11.751 3.439 1.00 0.00 C ATOM 1490 O VAL A 96 -4.588 10.889 4.303 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.961 12.408 2.494 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.532 11.023 2.756 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.065 13.454 2.495 1.00 0.00 C ATOM 0 H VAL A 96 -5.799 14.615 2.568 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.330 12.711 4.533 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.495 12.402 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.290 10.794 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.733 10.284 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.983 10.997 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.817 13.190 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.528 13.493 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.642 14.429 2.254 1.00 0.00 H new ATOM 1503 N MET A 97 -3.957 11.869 2.379 1.00 0.00 N ATOM 1504 CA MET A 97 -2.831 10.972 2.162 1.00 0.00 C ATOM 1505 C MET A 97 -1.752 11.189 3.217 1.00 0.00 C ATOM 1506 O MET A 97 -1.195 10.231 3.752 1.00 0.00 O ATOM 1507 CB MET A 97 -2.242 11.181 0.764 1.00 0.00 C ATOM 1508 CG MET A 97 -1.856 12.621 0.471 1.00 0.00 C ATOM 1509 SD MET A 97 -0.124 12.964 0.838 1.00 0.00 S ATOM 1510 CE MET A 97 0.683 12.134 -0.529 1.00 0.00 C ATOM 0 H MET A 97 -4.076 12.578 1.656 1.00 0.00 H new ATOM 0 HA MET A 97 -3.196 9.948 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.361 10.549 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 97 -2.968 10.851 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.051 12.839 -0.579 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.487 13.289 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.707 12.496 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.693 11.059 -0.348 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.141 12.341 -1.452 1.00 0.00 H new ATOM 1520 N ASP A 98 -1.459 12.451 3.510 1.00 0.00 N ATOM 1521 CA ASP A 98 -0.441 12.789 4.498 1.00 0.00 C ATOM 1522 C ASP A 98 -0.869 12.383 5.903 1.00 0.00 C ATOM 1523 O ASP A 98 -0.066 11.856 6.671 1.00 0.00 O ATOM 1524 CB ASP A 98 -0.138 14.288 4.457 1.00 0.00 C ATOM 1525 CG ASP A 98 0.960 14.629 3.469 1.00 0.00 C ATOM 1526 OD1 ASP A 98 2.027 13.982 3.521 1.00 0.00 O ATOM 1527 OD2 ASP A 98 0.753 15.543 2.644 1.00 0.00 O ATOM 0 H ASP A 98 -1.912 13.256 3.078 1.00 0.00 H new ATOM 0 HA ASP A 98 0.462 12.232 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.044 14.832 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.155 14.624 5.452 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.130 12.635 6.242 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.633 12.294 7.569 1.00 0.00 C ATOM 1534 C ASN A 99 -2.436 10.809 7.859 1.00 0.00 C ATOM 1535 O ASN A 99 -1.891 10.439 8.899 1.00 0.00 O ATOM 1536 CB ASN A 99 -4.115 12.655 7.684 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.328 14.092 8.118 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.518 14.657 8.853 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.423 14.691 7.665 1.00 0.00 N ATOM 0 H ASN A 99 -2.816 13.069 5.624 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.068 12.868 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.601 12.493 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.594 11.987 8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.620 15.658 7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.067 14.185 7.058 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.862 9.960 6.930 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.702 8.525 7.092 1.00 0.00 C ATOM 1548 C ILE A 100 -1.256 8.109 6.841 1.00 0.00 C ATOM 1549 O ILE A 100 -0.722 7.243 7.532 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.644 7.726 6.171 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.084 7.823 6.678 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.195 6.275 6.075 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -6.059 6.977 5.893 1.00 0.00 C ATOM 0 H ILE A 100 -3.318 10.242 6.062 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.969 8.293 8.123 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.604 8.155 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.113 7.520 7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.405 8.864 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.873 5.727 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.185 6.233 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.206 5.824 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.060 7.095 6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.059 7.295 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.763 5.930 5.953 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.623 8.732 5.846 1.00 0.00 N ATOM 1566 CA LYS A 101 0.762 8.416 5.516 1.00 0.00 C ATOM 1567 C LYS A 101 1.628 8.550 6.751 1.00 0.00 C ATOM 1568 O LYS A 101 2.377 7.641 7.102 1.00 0.00 O ATOM 1569 CB LYS A 101 1.279 9.333 4.403 1.00 0.00 C ATOM 1570 CG LYS A 101 2.751 9.131 4.078 1.00 0.00 C ATOM 1571 CD LYS A 101 3.628 10.123 4.825 1.00 0.00 C ATOM 1572 CE LYS A 101 3.580 11.501 4.185 1.00 0.00 C ATOM 1573 NZ LYS A 101 3.957 11.458 2.745 1.00 0.00 N ATOM 0 H LYS A 101 -1.046 9.452 5.260 1.00 0.00 H new ATOM 0 HA LYS A 101 0.808 7.388 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.690 9.163 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.120 10.371 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.046 8.115 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.906 9.243 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.300 10.191 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.657 9.763 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.576 11.913 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.254 12.172 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.289 12.397 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.716 10.761 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.129 11.186 2.177 1.00 0.00 H new ATOM 1587 N MET A 102 1.492 9.681 7.422 1.00 0.00 N ATOM 1588 CA MET A 102 2.238 9.932 8.647 1.00 0.00 C ATOM 1589 C MET A 102 1.894 8.870 9.683 1.00 0.00 C ATOM 1590 O MET A 102 2.740 8.453 10.474 1.00 0.00 O ATOM 1591 CB MET A 102 1.927 11.326 9.194 1.00 0.00 C ATOM 1592 CG MET A 102 0.499 11.502 9.688 1.00 0.00 C ATOM 1593 SD MET A 102 0.347 12.817 10.912 1.00 0.00 S ATOM 1594 CE MET A 102 -1.399 12.723 11.297 1.00 0.00 C ATOM 0 H MET A 102 0.873 10.441 7.141 1.00 0.00 H new ATOM 0 HA MET A 102 3.304 9.885 8.424 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.612 11.542 10.014 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.122 12.061 8.413 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.150 11.722 8.841 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.150 10.565 10.122 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.568 13.087 12.310 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.961 13.336 10.592 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.733 11.688 11.223 1.00 0.00 H new ATOM 1604 N THR A 103 0.642 8.429 9.653 1.00 0.00 N ATOM 1605 CA THR A 103 0.162 7.407 10.562 1.00 0.00 C ATOM 1606 C THR A 103 0.834 6.077 10.247 1.00 0.00 C ATOM 1607 O THR A 103 1.421 5.441 11.121 1.00 0.00 O ATOM 1608 CB THR A 103 -1.364 7.283 10.436 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.015 8.019 11.454 1.00 0.00 O ATOM 1610 CG2 THR A 103 -1.873 5.863 10.503 1.00 0.00 C ATOM 0 H THR A 103 -0.063 8.771 8.999 1.00 0.00 H new ATOM 0 HA THR A 103 0.409 7.685 11.586 1.00 0.00 H new ATOM 0 HB THR A 103 -1.593 7.680 9.447 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.037 7.489 12.278 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.959 5.861 10.407 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.435 5.281 9.692 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.593 5.421 11.459 1.00 0.00 H new ATOM 1618 N LEU A 104 0.744 5.673 8.984 1.00 0.00 N ATOM 1619 CA LEU A 104 1.338 4.425 8.533 1.00 0.00 C ATOM 1620 C LEU A 104 2.849 4.485 8.637 1.00 0.00 C ATOM 1621 O LEU A 104 3.506 3.489 8.930 1.00 0.00 O ATOM 1622 CB LEU A 104 0.913 4.121 7.094 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.396 3.333 6.958 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.319 3.988 5.937 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.108 1.889 6.572 1.00 0.00 C ATOM 0 H LEU A 104 0.262 6.197 8.253 1.00 0.00 H new ATOM 0 HA LEU A 104 0.981 3.622 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.811 5.063 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.710 3.560 6.606 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.902 3.339 7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.241 3.412 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.552 5.004 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.825 4.018 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.047 1.343 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.421 1.866 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.508 1.423 7.341 1.00 0.00 H new ATOM 1637 N GLN A 105 3.390 5.664 8.402 1.00 0.00 N ATOM 1638 CA GLN A 105 4.823 5.877 8.474 1.00 0.00 C ATOM 1639 C GLN A 105 5.351 5.555 9.868 1.00 0.00 C ATOM 1640 O GLN A 105 6.478 5.084 10.022 1.00 0.00 O ATOM 1641 CB GLN A 105 5.131 7.325 8.123 1.00 0.00 C ATOM 1642 CG GLN A 105 5.771 7.502 6.756 1.00 0.00 C ATOM 1643 CD GLN A 105 7.285 7.526 6.819 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.870 7.994 7.796 1.00 0.00 O ATOM 1645 NE2 GLN A 105 7.929 7.020 5.774 1.00 0.00 N ATOM 0 H GLN A 105 2.854 6.496 8.157 1.00 0.00 H new ATOM 0 HA GLN A 105 5.315 5.212 7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.207 7.902 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.795 7.740 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.451 6.691 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.415 8.431 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.404 6.642 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.949 7.009 5.760 1.00 0.00 H new ATOM 1654 N GLN A 106 4.534 5.817 10.884 1.00 0.00 N ATOM 1655 CA GLN A 106 4.933 5.551 12.255 1.00 0.00 C ATOM 1656 C GLN A 106 4.806 4.074 12.573 1.00 0.00 C ATOM 1657 O GLN A 106 5.682 3.482 13.204 1.00 0.00 O ATOM 1658 CB GLN A 106 4.097 6.380 13.232 1.00 0.00 C ATOM 1659 CG GLN A 106 4.714 7.728 13.569 1.00 0.00 C ATOM 1660 CD GLN A 106 5.030 8.549 12.333 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.710 8.080 11.420 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.538 9.782 12.300 1.00 0.00 N ATOM 0 H GLN A 106 3.599 6.211 10.781 1.00 0.00 H new ATOM 0 HA GLN A 106 5.978 5.839 12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.107 6.540 12.805 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.960 5.812 14.152 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.030 8.287 14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.629 7.572 14.141 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.979 10.129 13.080 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.719 10.382 11.495 1.00 0.00 H new ATOM 1671 N ILE A 107 3.712 3.484 12.121 1.00 0.00 N ATOM 1672 CA ILE A 107 3.464 2.077 12.342 1.00 0.00 C ATOM 1673 C ILE A 107 4.455 1.258 11.531 1.00 0.00 C ATOM 1674 O ILE A 107 5.110 0.357 12.053 1.00 0.00 O ATOM 1675 CB ILE A 107 2.025 1.694 11.958 1.00 0.00 C ATOM 1676 CG1 ILE A 107 1.083 2.892 12.149 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.565 0.497 12.782 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.283 2.539 12.691 1.00 0.00 C ATOM 0 H ILE A 107 2.981 3.964 11.597 1.00 0.00 H new ATOM 0 HA ILE A 107 3.591 1.867 13.404 1.00 0.00 H new ATOM 0 HB ILE A 107 2.001 1.413 10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.555 3.604 12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.960 3.397 11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.545 0.233 12.503 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.224 -0.350 12.592 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.597 0.751 13.842 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.879 3.446 12.793 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.780 1.853 12.005 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.176 2.063 13.666 1.00 0.00 H new ATOM 1690 N ILE A 108 4.593 1.612 10.255 1.00 0.00 N ATOM 1691 CA ILE A 108 5.540 0.944 9.375 1.00 0.00 C ATOM 1692 C ILE A 108 6.924 1.034 9.983 1.00 0.00 C ATOM 1693 O ILE A 108 7.686 0.068 10.000 1.00 0.00 O ATOM 1694 CB ILE A 108 5.534 1.574 7.964 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.946 0.539 6.918 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.434 2.800 7.889 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.358 0.030 7.104 1.00 0.00 C ATOM 0 H ILE A 108 4.059 2.359 9.810 1.00 0.00 H new ATOM 0 HA ILE A 108 5.248 -0.101 9.270 1.00 0.00 H new ATOM 0 HB ILE A 108 4.517 1.903 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.255 -0.303 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.854 0.979 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.402 3.214 6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.087 3.550 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.458 2.515 8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.586 -0.701 6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.057 0.863 7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.450 -0.439 8.084 1.00 0.00 H new ATOM 1709 N SER A 109 7.212 2.208 10.518 1.00 0.00 N ATOM 1710 CA SER A 109 8.481 2.452 11.182 1.00 0.00 C ATOM 1711 C SER A 109 8.565 1.579 12.427 1.00 0.00 C ATOM 1712 O SER A 109 9.631 1.076 12.784 1.00 0.00 O ATOM 1713 CB SER A 109 8.618 3.928 11.560 1.00 0.00 C ATOM 1714 OG SER A 109 9.162 4.681 10.489 1.00 0.00 O ATOM 0 H SER A 109 6.582 3.010 10.505 1.00 0.00 H new ATOM 0 HA SER A 109 9.296 2.202 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.642 4.329 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.257 4.024 12.438 1.00 0.00 H new ATOM 0 HG SER A 109 8.435 5.087 9.972 1.00 0.00 H new ATOM 1720 N ARG A 110 7.416 1.399 13.075 1.00 0.00 N ATOM 1721 CA ARG A 110 7.320 0.583 14.274 1.00 0.00 C ATOM 1722 C ARG A 110 7.556 -0.887 13.936 1.00 0.00 C ATOM 1723 O ARG A 110 8.410 -1.544 14.533 1.00 0.00 O ATOM 1724 CB ARG A 110 5.939 0.790 14.918 1.00 0.00 C ATOM 1725 CG ARG A 110 5.153 -0.485 15.193 1.00 0.00 C ATOM 1726 CD ARG A 110 4.074 -0.257 16.239 1.00 0.00 C ATOM 1727 NE ARG A 110 4.639 0.006 17.560 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.920 0.397 18.610 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.609 0.570 18.498 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.514 0.614 19.776 1.00 0.00 N ATOM 0 H ARG A 110 6.532 1.814 12.782 1.00 0.00 H new ATOM 0 HA ARG A 110 8.088 0.886 14.986 1.00 0.00 H new ATOM 0 HB2 ARG A 110 6.071 1.326 15.858 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.345 1.431 14.267 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.697 -0.839 14.269 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.832 -1.267 15.533 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.449 0.584 15.938 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.427 -1.133 16.289 1.00 0.00 H new ATOM 0 HE ARG A 110 5.644 -0.117 17.685 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.147 0.403 17.604 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.063 0.870 19.306 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.521 0.481 19.868 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.964 0.914 20.581 1.00 0.00 H new ATOM 1744 N TYR A 111 6.791 -1.395 12.974 1.00 0.00 N ATOM 1745 CA TYR A 111 6.916 -2.788 12.555 1.00 0.00 C ATOM 1746 C TYR A 111 8.345 -3.104 12.121 1.00 0.00 C ATOM 1747 O TYR A 111 8.786 -4.250 12.193 1.00 0.00 O ATOM 1748 CB TYR A 111 5.945 -3.094 11.412 1.00 0.00 C ATOM 1749 CG TYR A 111 4.557 -3.465 11.879 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.629 -2.487 12.209 1.00 0.00 C ATOM 1751 CD2 TYR A 111 4.176 -4.796 11.991 1.00 0.00 C ATOM 1752 CE1 TYR A 111 2.360 -2.822 12.637 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.909 -5.141 12.417 1.00 0.00 C ATOM 1754 CZ TYR A 111 2.004 -4.152 12.739 1.00 0.00 C ATOM 1755 OH TYR A 111 0.740 -4.494 13.163 1.00 0.00 O ATOM 0 H TYR A 111 6.080 -0.865 12.471 1.00 0.00 H new ATOM 0 HA TYR A 111 6.668 -3.417 13.410 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.879 -2.223 10.760 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.348 -3.911 10.813 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.905 -1.446 12.130 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.882 -5.574 11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.650 -2.049 12.890 1.00 0.00 H new ATOM 0 HE2 TYR A 111 2.628 -6.181 12.498 1.00 0.00 H new ATOM 0 HH TYR A 111 0.104 -3.802 12.887 1.00 0.00 H new ATOM 1765 N LYS A 112 9.064 -2.079 11.673 1.00 0.00 N ATOM 1766 CA LYS A 112 10.443 -2.249 11.232 1.00 0.00 C ATOM 1767 C LYS A 112 11.364 -2.510 12.419 1.00 0.00 C ATOM 1768 O LYS A 112 12.341 -3.251 12.308 1.00 0.00 O ATOM 1769 CB LYS A 112 10.912 -1.008 10.471 1.00 0.00 C ATOM 1770 CG LYS A 112 10.163 -0.774 9.169 1.00 0.00 C ATOM 1771 CD LYS A 112 10.973 -1.236 7.969 1.00 0.00 C ATOM 1772 CE LYS A 112 10.716 -0.359 6.753 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.545 -1.165 5.513 1.00 0.00 N ATOM 0 H LYS A 112 8.714 -1.123 11.606 1.00 0.00 H new ATOM 0 HA LYS A 112 10.483 -3.112 10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.794 -0.133 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.976 -1.104 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.212 -1.307 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.932 0.286 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.035 -1.216 8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.720 -2.270 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.822 0.242 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.547 0.334 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.626 -0.545 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.281 -1.898 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.608 -1.616 5.518 1.00 0.00 H new ATOM 1787 N ASP A 113 11.047 -1.895 13.553 1.00 0.00 N ATOM 1788 CA ASP A 113 11.846 -2.060 14.762 1.00 0.00 C ATOM 1789 C ASP A 113 11.509 -3.373 15.461 1.00 0.00 C ATOM 1790 O ASP A 113 12.367 -3.990 16.093 1.00 0.00 O ATOM 1791 CB ASP A 113 11.615 -0.887 15.716 1.00 0.00 C ATOM 1792 CG ASP A 113 12.678 -0.799 16.793 1.00 0.00 C ATOM 1793 OD1 ASP A 113 13.769 -0.262 16.507 1.00 0.00 O ATOM 1794 OD2 ASP A 113 12.420 -1.268 17.922 1.00 0.00 O ATOM 0 H ASP A 113 10.242 -1.278 13.661 1.00 0.00 H new ATOM 0 HA ASP A 113 12.897 -2.082 14.473 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.600 0.043 15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.636 -0.990 16.184 1.00 0.00 H new ATOM 1799 N ALA A 114 10.254 -3.795 15.345 1.00 0.00 N ATOM 1800 CA ALA A 114 9.804 -5.035 15.965 1.00 0.00 C ATOM 1801 C ALA A 114 10.585 -6.231 15.433 1.00 0.00 C ATOM 1802 O ALA A 114 10.962 -7.125 16.190 1.00 0.00 O ATOM 1803 CB ALA A 114 8.313 -5.229 15.733 1.00 0.00 C ATOM 0 H ALA A 114 9.531 -3.296 14.827 1.00 0.00 H new ATOM 0 HA ALA A 114 9.988 -4.964 17.037 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.990 -6.159 16.201 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.765 -4.394 16.169 1.00 0.00 H new ATOM 0 HB3 ALA A 114 8.114 -5.274 14.662 1.00 0.00 H new ATOM 1809 N ASP A 115 10.824 -6.240 14.126 1.00 0.00 N ATOM 1810 CA ASP A 115 11.561 -7.328 13.491 1.00 0.00 C ATOM 1811 C ASP A 115 13.041 -7.267 13.856 1.00 0.00 C ATOM 1812 O ASP A 115 13.853 -7.878 13.130 1.00 0.00 O ATOM 1813 CB ASP A 115 11.395 -7.266 11.972 1.00 0.00 C ATOM 1814 CG ASP A 115 10.201 -8.064 11.488 1.00 0.00 C ATOM 1815 OD1 ASP A 115 9.059 -7.692 11.831 1.00 0.00 O ATOM 1816 OD2 ASP A 115 10.407 -9.062 10.765 1.00 0.00 O ATOM 1817 OXT ASP A 115 13.375 -6.609 14.863 1.00 0.00 O ATOM 0 H ASP A 115 10.519 -5.507 13.486 1.00 0.00 H new ATOM 0 HA ASP A 115 11.154 -8.271 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.283 -6.227 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.299 -7.644 11.495 1.00 0.00 H new ATOM 2088 N PHE B 475 2.148 3.910 -11.797 1.00 0.00 N ATOM 2089 CA PHE B 475 1.900 4.311 -10.422 1.00 0.00 C ATOM 2090 C PHE B 475 3.004 3.813 -9.504 1.00 0.00 C ATOM 2091 O PHE B 475 3.244 4.392 -8.445 1.00 0.00 O ATOM 2092 CB PHE B 475 0.510 3.844 -9.938 1.00 0.00 C ATOM 2093 CG PHE B 475 0.371 2.375 -9.596 1.00 0.00 C ATOM 2094 CD1 PHE B 475 1.268 1.723 -8.761 1.00 0.00 C ATOM 2095 CD2 PHE B 475 -0.693 1.653 -10.105 1.00 0.00 C ATOM 2096 CE1 PHE B 475 1.106 0.386 -8.452 1.00 0.00 C ATOM 2097 CE2 PHE B 475 -0.861 0.317 -9.797 1.00 0.00 C ATOM 2098 CZ PHE B 475 0.040 -0.317 -8.971 1.00 0.00 C ATOM 0 HA PHE B 475 1.904 5.400 -10.388 1.00 0.00 H new ATOM 0 HB2 PHE B 475 0.243 4.426 -9.056 1.00 0.00 H new ATOM 0 HB3 PHE B 475 -0.219 4.084 -10.712 1.00 0.00 H new ATOM 0 HD1 PHE B 475 2.104 2.268 -8.347 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -1.404 2.142 -10.754 1.00 0.00 H new ATOM 0 HE1 PHE B 475 1.815 -0.108 -7.804 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -1.699 -0.230 -10.204 1.00 0.00 H new ATOM 0 HZ PHE B 475 -0.088 -1.362 -8.730 1.00 0.00 H new ATOM 2108 N GLU B 476 3.675 2.734 -9.902 1.00 0.00 N ATOM 2109 CA GLU B 476 4.741 2.180 -9.083 1.00 0.00 C ATOM 2110 C GLU B 476 5.972 3.073 -9.086 1.00 0.00 C ATOM 2111 O GLU B 476 6.731 3.094 -8.117 1.00 0.00 O ATOM 2112 CB GLU B 476 5.111 0.774 -9.537 1.00 0.00 C ATOM 2113 CG GLU B 476 4.018 -0.249 -9.284 1.00 0.00 C ATOM 2114 CD GLU B 476 4.452 -1.662 -9.619 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.106 -1.850 -10.667 1.00 0.00 O ATOM 2116 OE2 GLU B 476 4.138 -2.582 -8.834 1.00 0.00 O ATOM 0 H GLU B 476 3.500 2.235 -10.774 1.00 0.00 H new ATOM 0 HA GLU B 476 4.363 2.127 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU B 476 5.341 0.793 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.018 0.461 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU B 476 3.719 -0.204 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU B 476 3.141 0.008 -9.878 1.00 0.00 H new ATOM 2123 N GLN B 477 6.165 3.825 -10.162 1.00 0.00 N ATOM 2124 CA GLN B 477 7.309 4.727 -10.241 1.00 0.00 C ATOM 2125 C GLN B 477 7.176 5.806 -9.185 1.00 0.00 C ATOM 2126 O GLN B 477 8.162 6.220 -8.576 1.00 0.00 O ATOM 2127 CB GLN B 477 7.444 5.331 -11.646 1.00 0.00 C ATOM 2128 CG GLN B 477 6.412 6.402 -11.970 1.00 0.00 C ATOM 2129 CD GLN B 477 7.027 7.780 -12.123 1.00 0.00 C ATOM 2130 OE1 GLN B 477 7.196 8.480 -11.007 1.00 0.00 O flip ATOM 2131 NE2 GLN B 477 7.348 8.209 -13.231 1.00 0.00 N flip ATOM 0 H GLN B 477 5.556 3.830 -10.980 1.00 0.00 H new ATOM 0 HA GLN B 477 8.221 4.161 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN B 477 8.441 5.760 -11.750 1.00 0.00 H new ATOM 0 HB3 GLN B 477 7.363 4.531 -12.382 1.00 0.00 H new ATOM 0 HG2 GLN B 477 5.895 6.135 -12.891 1.00 0.00 H new ATOM 0 HG3 GLN B 477 5.662 6.429 -11.180 1.00 0.00 H new ATOM 0 HE21 GLN B 477 7.200 7.636 -14.062 1.00 0.00 H new ATOM 0 HE22 GLN B 477 7.762 9.137 -13.318 1.00 0.00 H new ATOM 2140 N MET B 478 5.943 6.218 -8.927 1.00 0.00 N ATOM 2141 CA MET B 478 5.687 7.197 -7.892 1.00 0.00 C ATOM 2142 C MET B 478 5.789 6.502 -6.539 1.00 0.00 C ATOM 2143 O MET B 478 5.914 7.143 -5.495 1.00 0.00 O ATOM 2144 CB MET B 478 4.300 7.817 -8.069 1.00 0.00 C ATOM 2145 CG MET B 478 4.255 8.916 -9.119 1.00 0.00 C ATOM 2146 SD MET B 478 2.905 8.701 -10.296 1.00 0.00 S ATOM 2147 CE MET B 478 1.686 9.826 -9.622 1.00 0.00 C ATOM 0 H MET B 478 5.112 5.889 -9.419 1.00 0.00 H new ATOM 0 HA MET B 478 6.420 8.001 -7.955 1.00 0.00 H new ATOM 0 HB2 MET B 478 3.593 7.034 -8.344 1.00 0.00 H new ATOM 0 HB3 MET B 478 3.969 8.224 -7.114 1.00 0.00 H new ATOM 0 HG2 MET B 478 4.149 9.881 -8.624 1.00 0.00 H new ATOM 0 HG3 MET B 478 5.202 8.936 -9.658 1.00 0.00 H new ATOM 0 HE1 MET B 478 0.783 9.272 -9.364 1.00 0.00 H new ATOM 0 HE2 MET B 478 2.087 10.304 -8.728 1.00 0.00 H new ATOM 0 HE3 MET B 478 1.445 10.588 -10.363 1.00 0.00 H new ATOM 2157 N PHE B 479 5.725 5.168 -6.582 1.00 0.00 N ATOM 2158 CA PHE B 479 5.796 4.344 -5.392 1.00 0.00 C ATOM 2159 C PHE B 479 7.153 3.676 -5.230 1.00 0.00 C ATOM 2160 O PHE B 479 7.249 2.598 -4.643 1.00 0.00 O ATOM 2161 CB PHE B 479 4.706 3.284 -5.437 1.00 0.00 C ATOM 2162 CG PHE B 479 3.332 3.876 -5.409 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.070 5.004 -4.651 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.311 3.317 -6.144 1.00 0.00 C ATOM 2165 CE1 PHE B 479 1.812 5.559 -4.626 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.045 3.867 -6.125 1.00 0.00 C ATOM 2167 CZ PHE B 479 0.797 4.992 -5.362 1.00 0.00 C ATOM 0 H PHE B 479 5.622 4.638 -7.447 1.00 0.00 H new ATOM 0 HA PHE B 479 5.650 4.999 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.822 2.686 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE B 479 4.825 2.609 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE B 479 3.863 5.454 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.503 2.438 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE B 479 1.621 6.439 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.251 3.420 -6.705 1.00 0.00 H new ATOM 0 HZ PHE B 479 -0.192 5.426 -5.343 1.00 0.00 H new ATOM 2177 N THR B 480 8.206 4.316 -5.721 1.00 0.00 N ATOM 2178 CA THR B 480 9.535 3.762 -5.582 1.00 0.00 C ATOM 2179 C THR B 480 10.403 4.726 -4.787 1.00 0.00 C ATOM 2180 O THR B 480 10.859 5.748 -5.299 1.00 0.00 O ATOM 2181 CB THR B 480 10.156 3.493 -6.954 1.00 0.00 C ATOM 2182 OG1 THR B 480 11.428 2.885 -6.818 1.00 0.00 O ATOM 2183 CG2 THR B 480 10.332 4.743 -7.789 1.00 0.00 C ATOM 0 H THR B 480 8.162 5.209 -6.213 1.00 0.00 H new ATOM 0 HA THR B 480 9.470 2.812 -5.051 1.00 0.00 H new ATOM 0 HB THR B 480 9.454 2.832 -7.463 1.00 0.00 H new ATOM 0 HG1 THR B 480 11.808 2.720 -7.706 1.00 0.00 H new ATOM 0 HG21 THR B 480 10.777 4.480 -8.749 1.00 0.00 H new ATOM 0 HG22 THR B 480 9.361 5.209 -7.955 1.00 0.00 H new ATOM 0 HG23 THR B 480 10.985 5.441 -7.265 1.00 0.00 H new ATOM 2191 N ASP B 481 10.604 4.380 -3.513 1.00 0.00 N ATOM 2192 CA ASP B 481 11.392 5.185 -2.582 1.00 0.00 C ATOM 2193 C ASP B 481 11.252 6.681 -2.864 1.00 0.00 C ATOM 2194 O ASP B 481 12.190 7.327 -3.331 1.00 0.00 O ATOM 2195 CB ASP B 481 12.865 4.775 -2.637 1.00 0.00 C ATOM 2196 CG ASP B 481 13.542 4.867 -1.284 1.00 0.00 C ATOM 2197 OD1 ASP B 481 14.082 5.947 -0.962 1.00 0.00 O ATOM 2198 OD2 ASP B 481 13.533 3.859 -0.546 1.00 0.00 O ATOM 0 H ASP B 481 10.222 3.530 -3.099 1.00 0.00 H new ATOM 0 HA ASP B 481 11.004 4.998 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP B 481 12.941 3.753 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.391 5.413 -3.347 1.00 0.00 H new ATOM 2203 N ALA B 482 10.073 7.223 -2.577 1.00 0.00 N ATOM 2204 CA ALA B 482 9.808 8.639 -2.799 1.00 0.00 C ATOM 2205 C ALA B 482 9.634 9.378 -1.476 1.00 0.00 C ATOM 2206 O ALA B 482 8.910 10.371 -1.399 1.00 0.00 O ATOM 2207 CB ALA B 482 8.574 8.815 -3.670 1.00 0.00 C ATOM 0 H ALA B 482 9.286 6.702 -2.190 1.00 0.00 H new ATOM 0 HA ALA B 482 10.667 9.068 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA B 482 8.388 9.877 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA B 482 8.735 8.328 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA B 482 7.713 8.365 -3.176 1.00 0.00 H new