USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 894 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 30 ASN : amide:sc= -5.45! C(o=-6.7!,f=-2.5!) USER MOD Set 1.2: A 32 SER OG : rot -170:sc= -1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00597 (180deg=-0.27) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.462 USER MOD Single : A 19 ASN : amide:sc= -0.447 K(o=-0.45,f=-2.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.49) USER MOD Single : A 23 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.774 K(o=-0.77,f=-4.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -124:sc= 0 (180deg=-0.178) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 43 MET CE :methyl -148:sc= -0.217 (180deg=-1.74) USER MOD Single : A 44 TYR OH : rot 60:sc= -0.332 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.926 X(o=-0.93,f=-0.77!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.0366 (180deg=-0.45) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.3!) USER MOD Single : A 66 MET CE :methyl -177:sc= -0.944 (180deg=-1.02) USER MOD Single : A 68 SER OG : rot 72:sc= 0.484 USER MOD Single : A 73 HIS : no HD1:sc= -4.25! C(o=-4.2!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.279 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -37:sc= 0.606 USER MOD Single : A 84 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-7.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -116:sc= 1.69 (180deg=-1.33) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.00572) USER MOD Single : A 102 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.5) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= -0.0147 (180deg=-0.297) USER MOD Single : A 113 ASN : amide:sc=-0.000502 X(o=-0.0005,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.758 3.296 12.714 1.00 0.00 N ATOM 2 CA MET A 1 21.246 4.654 13.089 1.00 0.00 C ATOM 3 C MET A 1 20.359 5.713 12.430 1.00 0.00 C ATOM 4 O MET A 1 19.193 5.839 12.743 1.00 0.00 O ATOM 5 CB MET A 1 22.691 4.831 12.615 1.00 0.00 C ATOM 6 CG MET A 1 23.615 3.926 13.431 1.00 0.00 C ATOM 7 SD MET A 1 25.320 4.148 12.861 1.00 0.00 S ATOM 8 CE MET A 1 26.091 2.833 13.843 1.00 0.00 C ATOM 0 H1 MET A 1 21.170 2.589 13.357 1.00 0.00 H new ATOM 0 H2 MET A 1 19.721 3.267 12.787 1.00 0.00 H new ATOM 0 H3 MET A 1 21.042 3.083 11.737 1.00 0.00 H new ATOM 0 HA MET A 1 21.206 4.767 14.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.769 4.586 11.556 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.995 5.872 12.725 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.539 4.169 14.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.314 2.884 13.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.160 2.802 13.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.934 3.031 14.903 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.643 1.874 13.583 1.00 0.00 H new ATOM 20 N GLY A 2 20.901 6.477 11.520 1.00 0.00 N ATOM 21 CA GLY A 2 20.083 7.524 10.845 1.00 0.00 C ATOM 22 C GLY A 2 19.073 6.853 9.900 1.00 0.00 C ATOM 23 O GLY A 2 19.254 5.716 9.511 1.00 0.00 O ATOM 0 H GLY A 2 21.873 6.421 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.559 8.126 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 2 20.729 8.200 10.284 1.00 0.00 H new ATOM 27 N PRO A 3 18.018 7.547 9.526 1.00 0.00 N ATOM 28 CA PRO A 3 16.998 6.968 8.606 1.00 0.00 C ATOM 29 C PRO A 3 17.643 6.306 7.378 1.00 0.00 C ATOM 30 O PRO A 3 18.708 6.694 6.941 1.00 0.00 O ATOM 31 CB PRO A 3 16.160 8.207 8.213 1.00 0.00 C ATOM 32 CG PRO A 3 16.669 9.421 9.022 1.00 0.00 C ATOM 33 CD PRO A 3 17.767 8.939 9.987 1.00 0.00 C ATOM 0 HA PRO A 3 16.409 6.173 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.249 8.400 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.104 8.031 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.063 10.185 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.849 9.876 9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.664 9.555 9.921 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.436 8.968 11.025 1.00 0.00 H new ATOM 41 N VAL A 4 17.006 5.309 6.822 1.00 0.00 N ATOM 42 CA VAL A 4 17.583 4.626 5.631 1.00 0.00 C ATOM 43 C VAL A 4 17.290 5.463 4.370 1.00 0.00 C ATOM 44 O VAL A 4 16.278 6.136 4.307 1.00 0.00 O ATOM 45 CB VAL A 4 16.941 3.241 5.490 1.00 0.00 C ATOM 46 CG1 VAL A 4 17.440 2.328 6.613 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.415 3.368 5.581 1.00 0.00 C ATOM 0 H VAL A 4 16.111 4.939 7.143 1.00 0.00 H new ATOM 0 HA VAL A 4 18.661 4.520 5.750 1.00 0.00 H new ATOM 0 HB VAL A 4 17.214 2.816 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.983 1.344 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.524 2.233 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.169 2.756 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.961 2.382 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.142 3.796 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.056 4.016 4.782 1.00 0.00 H new ATOM 57 N PRO A 5 18.149 5.432 3.364 1.00 0.00 N ATOM 58 CA PRO A 5 17.892 6.224 2.127 1.00 0.00 C ATOM 59 C PRO A 5 16.566 5.814 1.455 1.00 0.00 C ATOM 60 O PRO A 5 15.988 4.800 1.791 1.00 0.00 O ATOM 61 CB PRO A 5 19.111 5.883 1.241 1.00 0.00 C ATOM 62 CG PRO A 5 19.952 4.806 1.954 1.00 0.00 C ATOM 63 CD PRO A 5 19.408 4.630 3.383 1.00 0.00 C ATOM 0 HA PRO A 5 17.786 7.292 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.781 5.522 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.711 6.775 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.900 3.863 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.001 5.101 1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.216 3.583 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.110 4.999 4.131 1.00 0.00 H new ATOM 71 N PRO A 6 16.083 6.600 0.522 1.00 0.00 N ATOM 72 CA PRO A 6 14.798 6.283 -0.172 1.00 0.00 C ATOM 73 C PRO A 6 14.827 4.927 -0.896 1.00 0.00 C ATOM 74 O PRO A 6 13.931 4.118 -0.760 1.00 0.00 O ATOM 75 CB PRO A 6 14.668 7.449 -1.177 1.00 0.00 C ATOM 76 CG PRO A 6 15.988 8.245 -1.167 1.00 0.00 C ATOM 77 CD PRO A 6 16.774 7.849 0.091 1.00 0.00 C ATOM 0 HA PRO A 6 13.961 6.194 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.462 7.067 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.833 8.094 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.570 8.029 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.787 9.316 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.828 7.676 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.730 8.623 0.858 1.00 0.00 H new ATOM 85 N SER A 7 15.841 4.687 -1.676 1.00 0.00 N ATOM 86 CA SER A 7 15.923 3.401 -2.425 1.00 0.00 C ATOM 87 C SER A 7 15.960 2.222 -1.452 1.00 0.00 C ATOM 88 O SER A 7 15.376 1.185 -1.699 1.00 0.00 O ATOM 89 CB SER A 7 17.189 3.395 -3.285 1.00 0.00 C ATOM 90 OG SER A 7 18.329 3.300 -2.442 1.00 0.00 O ATOM 0 H SER A 7 16.620 5.327 -1.829 1.00 0.00 H new ATOM 0 HA SER A 7 15.044 3.304 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.166 2.556 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.240 4.304 -3.884 1.00 0.00 H new ATOM 0 HG SER A 7 19.141 3.294 -2.990 1.00 0.00 H new ATOM 96 N THR A 8 16.649 2.360 -0.356 1.00 0.00 N ATOM 97 CA THR A 8 16.726 1.228 0.614 1.00 0.00 C ATOM 98 C THR A 8 15.360 1.012 1.281 1.00 0.00 C ATOM 99 O THR A 8 14.937 -0.107 1.492 1.00 0.00 O ATOM 100 CB THR A 8 17.779 1.537 1.681 1.00 0.00 C ATOM 101 OG1 THR A 8 19.042 1.712 1.055 1.00 0.00 O ATOM 102 CG2 THR A 8 17.860 0.368 2.664 1.00 0.00 C ATOM 0 H THR A 8 17.160 3.201 -0.088 1.00 0.00 H new ATOM 0 HA THR A 8 17.007 0.320 0.080 1.00 0.00 H new ATOM 0 HB THR A 8 17.505 2.447 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.743 1.753 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.609 0.584 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.890 0.225 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.139 -0.539 2.128 1.00 0.00 H new ATOM 110 N ALA A 9 14.667 2.069 1.616 1.00 0.00 N ATOM 111 CA ALA A 9 13.333 1.916 2.269 1.00 0.00 C ATOM 112 C ALA A 9 12.385 1.155 1.339 1.00 0.00 C ATOM 113 O ALA A 9 11.645 0.290 1.765 1.00 0.00 O ATOM 114 CB ALA A 9 12.747 3.298 2.563 1.00 0.00 C ATOM 0 H ALA A 9 14.967 3.032 1.466 1.00 0.00 H new ATOM 0 HA ALA A 9 13.452 1.361 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.773 3.186 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.416 3.843 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.633 3.851 1.631 1.00 0.00 H new ATOM 120 N LEU A 10 12.403 1.469 0.074 1.00 0.00 N ATOM 121 CA LEU A 10 11.506 0.765 -0.884 1.00 0.00 C ATOM 122 C LEU A 10 11.829 -0.730 -0.863 1.00 0.00 C ATOM 123 O LEU A 10 10.949 -1.560 -0.754 1.00 0.00 O ATOM 124 CB LEU A 10 11.729 1.341 -2.288 1.00 0.00 C ATOM 125 CG LEU A 10 10.847 0.632 -3.323 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.361 0.911 -3.050 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.217 1.157 -4.710 1.00 0.00 C ATOM 0 H LEU A 10 13.002 2.184 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 10 10.462 0.906 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.506 2.408 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.778 1.235 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 10 11.010 -0.444 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.752 0.399 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.099 0.548 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.176 1.984 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.600 0.665 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.047 2.233 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.268 0.948 -4.910 1.00 0.00 H new ATOM 139 N ARG A 11 13.080 -1.086 -0.956 1.00 0.00 N ATOM 140 CA ARG A 11 13.434 -2.533 -0.926 1.00 0.00 C ATOM 141 C ARG A 11 12.961 -3.140 0.394 1.00 0.00 C ATOM 142 O ARG A 11 12.411 -4.223 0.429 1.00 0.00 O ATOM 143 CB ARG A 11 14.953 -2.693 -1.041 1.00 0.00 C ATOM 144 CG ARG A 11 15.434 -2.346 -2.460 1.00 0.00 C ATOM 145 CD ARG A 11 15.192 -3.532 -3.406 1.00 0.00 C ATOM 146 NE ARG A 11 15.878 -3.281 -4.703 1.00 0.00 N ATOM 147 CZ ARG A 11 16.042 -4.259 -5.550 1.00 0.00 C ATOM 148 NH1 ARG A 11 15.574 -5.444 -5.275 1.00 0.00 N ATOM 149 NH2 ARG A 11 16.670 -4.051 -6.672 1.00 0.00 N ATOM 0 H ARG A 11 13.867 -0.444 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 11 12.952 -3.042 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.447 -2.046 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.235 -3.717 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.906 -1.466 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.495 -2.096 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.566 -4.452 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.123 -3.669 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 11 16.219 -2.347 -4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.080 -5.606 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.702 -6.209 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.034 -3.123 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.798 -4.816 -7.334 1.00 0.00 H new ATOM 163 N GLU A 12 13.160 -2.450 1.479 1.00 0.00 N ATOM 164 CA GLU A 12 12.710 -2.989 2.788 1.00 0.00 C ATOM 165 C GLU A 12 11.189 -3.143 2.760 1.00 0.00 C ATOM 166 O GLU A 12 10.640 -4.109 3.253 1.00 0.00 O ATOM 167 CB GLU A 12 13.121 -2.024 3.902 1.00 0.00 C ATOM 168 CG GLU A 12 14.641 -2.066 4.068 1.00 0.00 C ATOM 169 CD GLU A 12 15.062 -1.101 5.176 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.190 -0.472 5.751 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.251 -1.009 5.433 1.00 0.00 O ATOM 0 H GLU A 12 13.614 -1.537 1.516 1.00 0.00 H new ATOM 0 HA GLU A 12 13.170 -3.959 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.797 -1.012 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.633 -2.300 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.963 -3.079 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.127 -1.794 3.131 1.00 0.00 H new ATOM 178 N LEU A 13 10.504 -2.197 2.178 1.00 0.00 N ATOM 179 CA LEU A 13 9.021 -2.287 2.107 1.00 0.00 C ATOM 180 C LEU A 13 8.624 -3.406 1.136 1.00 0.00 C ATOM 181 O LEU A 13 7.754 -4.203 1.422 1.00 0.00 O ATOM 182 CB LEU A 13 8.461 -0.943 1.614 1.00 0.00 C ATOM 183 CG LEU A 13 6.926 -0.993 1.525 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.321 -1.288 2.908 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.410 0.360 1.016 1.00 0.00 C ATOM 0 H LEU A 13 10.909 -1.365 1.749 1.00 0.00 H new ATOM 0 HA LEU A 13 8.614 -2.510 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.765 -0.146 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.879 -0.706 0.636 1.00 0.00 H new ATOM 0 HG LEU A 13 6.631 -1.786 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.234 -1.321 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.688 -2.249 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.611 -0.504 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.322 0.333 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.712 1.148 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.828 0.561 0.030 1.00 0.00 H new ATOM 197 N ILE A 14 9.252 -3.477 -0.009 1.00 0.00 N ATOM 198 CA ILE A 14 8.896 -4.549 -0.986 1.00 0.00 C ATOM 199 C ILE A 14 9.135 -5.931 -0.366 1.00 0.00 C ATOM 200 O ILE A 14 8.288 -6.800 -0.417 1.00 0.00 O ATOM 201 CB ILE A 14 9.753 -4.406 -2.253 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.324 -3.147 -3.020 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.565 -5.642 -3.146 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.312 -2.864 -4.154 1.00 0.00 C ATOM 0 H ILE A 14 9.992 -2.843 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 14 7.842 -4.449 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 14 10.803 -4.321 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.321 -3.282 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.282 -2.295 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.174 -5.538 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.872 -6.535 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.516 -5.731 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.001 -1.969 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.308 -2.709 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.332 -3.712 -4.839 1.00 0.00 H new ATOM 216 N GLU A 15 10.291 -6.143 0.196 1.00 0.00 N ATOM 217 CA GLU A 15 10.604 -7.473 0.794 1.00 0.00 C ATOM 218 C GLU A 15 9.614 -7.814 1.913 1.00 0.00 C ATOM 219 O GLU A 15 9.194 -8.945 2.052 1.00 0.00 O ATOM 220 CB GLU A 15 12.025 -7.439 1.363 1.00 0.00 C ATOM 221 CG GLU A 15 13.037 -7.382 0.215 1.00 0.00 C ATOM 222 CD GLU A 15 13.051 -8.726 -0.523 1.00 0.00 C ATOM 223 OE1 GLU A 15 12.604 -9.701 0.057 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.513 -8.757 -1.652 1.00 0.00 O ATOM 0 H GLU A 15 11.037 -5.451 0.268 1.00 0.00 H new ATOM 0 HA GLU A 15 10.524 -8.236 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.147 -6.572 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.204 -8.323 1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.776 -6.579 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.031 -7.158 0.603 1.00 0.00 H new ATOM 231 N GLU A 16 9.249 -6.859 2.722 1.00 0.00 N ATOM 232 CA GLU A 16 8.302 -7.155 3.838 1.00 0.00 C ATOM 233 C GLU A 16 6.900 -7.441 3.296 1.00 0.00 C ATOM 234 O GLU A 16 6.223 -8.345 3.749 1.00 0.00 O ATOM 235 CB GLU A 16 8.242 -5.952 4.782 1.00 0.00 C ATOM 236 CG GLU A 16 7.388 -6.293 6.002 1.00 0.00 C ATOM 237 CD GLU A 16 7.491 -5.160 7.025 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.217 -4.215 6.761 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.843 -5.255 8.053 1.00 0.00 O ATOM 0 H GLU A 16 9.562 -5.890 2.661 1.00 0.00 H new ATOM 0 HA GLU A 16 8.657 -8.036 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.248 -5.675 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.822 -5.091 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.349 -6.436 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.725 -7.230 6.445 1.00 0.00 H new ATOM 246 N LEU A 17 6.449 -6.679 2.340 1.00 0.00 N ATOM 247 CA LEU A 17 5.086 -6.915 1.790 1.00 0.00 C ATOM 248 C LEU A 17 5.009 -8.321 1.192 1.00 0.00 C ATOM 249 O LEU A 17 4.038 -9.028 1.366 1.00 0.00 O ATOM 250 CB LEU A 17 4.779 -5.875 0.705 1.00 0.00 C ATOM 251 CG LEU A 17 4.596 -4.486 1.340 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.452 -3.443 0.226 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.341 -4.465 2.244 1.00 0.00 C ATOM 0 H LEU A 17 6.963 -5.906 1.917 1.00 0.00 H new ATOM 0 HA LEU A 17 4.354 -6.824 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.590 -5.847 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.876 -6.158 0.164 1.00 0.00 H new ATOM 0 HG LEU A 17 5.466 -4.255 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.322 -2.455 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.348 -3.448 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.584 -3.684 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.227 -3.475 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.459 -4.701 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.451 -5.205 3.037 1.00 0.00 H new ATOM 265 N VAL A 18 6.023 -8.729 0.486 1.00 0.00 N ATOM 266 CA VAL A 18 6.013 -10.086 -0.132 1.00 0.00 C ATOM 267 C VAL A 18 6.061 -11.163 0.959 1.00 0.00 C ATOM 268 O VAL A 18 5.420 -12.187 0.862 1.00 0.00 O ATOM 269 CB VAL A 18 7.238 -10.224 -1.039 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.376 -11.671 -1.523 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.087 -9.290 -2.242 1.00 0.00 C ATOM 0 H VAL A 18 6.864 -8.180 0.308 1.00 0.00 H new ATOM 0 HA VAL A 18 5.100 -10.214 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 18 8.132 -9.954 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.251 -11.757 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.491 -12.332 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.484 -11.954 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.959 -9.387 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.189 -9.557 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.005 -8.260 -1.895 1.00 0.00 H new ATOM 281 N ASN A 19 6.838 -10.947 1.981 1.00 0.00 N ATOM 282 CA ASN A 19 6.965 -11.962 3.067 1.00 0.00 C ATOM 283 C ASN A 19 5.612 -12.246 3.733 1.00 0.00 C ATOM 284 O ASN A 19 5.311 -13.372 4.075 1.00 0.00 O ATOM 285 CB ASN A 19 7.950 -11.441 4.115 1.00 0.00 C ATOM 286 CG ASN A 19 9.364 -11.449 3.531 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.635 -12.142 2.570 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.283 -10.702 4.076 1.00 0.00 N ATOM 0 H ASN A 19 7.396 -10.104 2.114 1.00 0.00 H new ATOM 0 HA ASN A 19 7.325 -12.894 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.675 -10.431 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.910 -12.064 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.230 -10.699 3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.055 -10.120 4.882 1.00 0.00 H new ATOM 295 N ILE A 20 4.808 -11.244 3.955 1.00 0.00 N ATOM 296 CA ILE A 20 3.498 -11.478 4.633 1.00 0.00 C ATOM 297 C ILE A 20 2.458 -12.085 3.677 1.00 0.00 C ATOM 298 O ILE A 20 1.445 -12.591 4.117 1.00 0.00 O ATOM 299 CB ILE A 20 2.981 -10.153 5.203 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.800 -9.125 4.079 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.988 -9.615 6.222 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.054 -7.907 4.630 1.00 0.00 C ATOM 0 H ILE A 20 4.998 -10.275 3.698 1.00 0.00 H new ATOM 0 HA ILE A 20 3.654 -12.195 5.439 1.00 0.00 H new ATOM 0 HB ILE A 20 2.018 -10.325 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.771 -8.825 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.242 -9.566 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.624 -8.672 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.110 -10.337 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.949 -9.452 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.922 -7.172 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.078 -8.217 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.630 -7.464 5.442 1.00 0.00 H new ATOM 314 N THR A 21 2.678 -12.031 2.383 1.00 0.00 N ATOM 315 CA THR A 21 1.669 -12.599 1.420 1.00 0.00 C ATOM 316 C THR A 21 2.123 -13.970 0.898 1.00 0.00 C ATOM 317 O THR A 21 1.322 -14.762 0.446 1.00 0.00 O ATOM 318 CB THR A 21 1.510 -11.644 0.228 1.00 0.00 C ATOM 319 OG1 THR A 21 2.770 -11.474 -0.408 1.00 0.00 O ATOM 320 CG2 THR A 21 0.986 -10.281 0.704 1.00 0.00 C ATOM 0 H THR A 21 3.506 -11.621 1.951 1.00 0.00 H new ATOM 0 HA THR A 21 0.721 -12.716 1.944 1.00 0.00 H new ATOM 0 HB THR A 21 0.795 -12.069 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.672 -10.866 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.878 -9.614 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.018 -10.412 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.690 -9.849 1.415 1.00 0.00 H new ATOM 328 N GLN A 22 3.393 -14.258 0.947 1.00 0.00 N ATOM 329 CA GLN A 22 3.876 -15.579 0.443 1.00 0.00 C ATOM 330 C GLN A 22 3.489 -16.700 1.411 1.00 0.00 C ATOM 331 O GLN A 22 3.139 -17.790 1.001 1.00 0.00 O ATOM 332 CB GLN A 22 5.397 -15.539 0.285 1.00 0.00 C ATOM 333 CG GLN A 22 5.763 -14.661 -0.916 1.00 0.00 C ATOM 334 CD GLN A 22 5.374 -15.374 -2.210 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.701 -16.528 -2.403 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.684 -14.731 -3.113 1.00 0.00 N ATOM 0 H GLN A 22 4.118 -13.640 1.312 1.00 0.00 H new ATOM 0 HA GLN A 22 3.410 -15.777 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.857 -15.145 1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.785 -16.548 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.249 -13.702 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.832 -14.450 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.410 -13.762 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.419 -15.198 -3.981 1.00 0.00 H new ATOM 345 N ASN A 23 3.575 -16.453 2.692 1.00 0.00 N ATOM 346 CA ASN A 23 3.240 -17.516 3.695 1.00 0.00 C ATOM 347 C ASN A 23 1.813 -17.340 4.228 1.00 0.00 C ATOM 348 O ASN A 23 1.439 -17.944 5.213 1.00 0.00 O ATOM 349 CB ASN A 23 4.226 -17.427 4.863 1.00 0.00 C ATOM 350 CG ASN A 23 5.613 -17.879 4.397 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.732 -18.703 3.512 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.674 -17.365 4.955 1.00 0.00 N ATOM 0 H ASN A 23 3.863 -15.560 3.091 1.00 0.00 H new ATOM 0 HA ASN A 23 3.310 -18.489 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.272 -16.404 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.886 -18.053 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.603 -17.655 4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.575 -16.673 5.698 1.00 0.00 H new ATOM 359 N GLN A 24 1.009 -16.522 3.604 1.00 0.00 N ATOM 360 CA GLN A 24 -0.383 -16.331 4.112 1.00 0.00 C ATOM 361 C GLN A 24 -1.280 -17.477 3.631 1.00 0.00 C ATOM 362 O GLN A 24 -1.324 -17.795 2.458 1.00 0.00 O ATOM 363 CB GLN A 24 -0.941 -14.981 3.617 1.00 0.00 C ATOM 364 CG GLN A 24 -1.392 -15.074 2.151 1.00 0.00 C ATOM 365 CD GLN A 24 -1.725 -13.675 1.631 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.703 -12.715 2.375 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.040 -13.519 0.374 1.00 0.00 N ATOM 0 H GLN A 24 1.251 -15.982 2.773 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.366 -16.331 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.782 -14.681 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.178 -14.209 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.604 -15.521 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.265 -15.722 2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.059 -14.325 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.268 -12.591 0.017 1.00 0.00 H new ATOM 376 N LYS A 25 -2.013 -18.084 4.526 1.00 0.00 N ATOM 377 CA LYS A 25 -2.931 -19.187 4.121 1.00 0.00 C ATOM 378 C LYS A 25 -4.258 -18.560 3.685 1.00 0.00 C ATOM 379 O LYS A 25 -4.520 -18.390 2.511 1.00 0.00 O ATOM 380 CB LYS A 25 -3.155 -20.128 5.314 1.00 0.00 C ATOM 381 CG LYS A 25 -4.134 -21.258 4.943 1.00 0.00 C ATOM 382 CD LYS A 25 -3.580 -22.088 3.774 1.00 0.00 C ATOM 383 CE LYS A 25 -4.280 -23.448 3.731 1.00 0.00 C ATOM 384 NZ LYS A 25 -3.930 -24.147 2.462 1.00 0.00 N ATOM 0 H LYS A 25 -2.015 -17.863 5.522 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.504 -19.764 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.203 -20.555 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.548 -19.563 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.300 -21.901 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.101 -20.835 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.735 -21.559 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.505 -22.225 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.978 -24.052 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.360 -23.316 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.406 -25.071 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.239 -23.572 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.900 -24.286 2.415 1.00 0.00 H new ATOM 398 N ALA A 26 -5.081 -18.183 4.625 1.00 0.00 N ATOM 399 CA ALA A 26 -6.372 -17.529 4.269 1.00 0.00 C ATOM 400 C ALA A 26 -6.080 -16.045 3.991 1.00 0.00 C ATOM 401 O ALA A 26 -5.058 -15.535 4.407 1.00 0.00 O ATOM 402 CB ALA A 26 -7.367 -17.680 5.444 1.00 0.00 C ATOM 0 H ALA A 26 -4.915 -18.300 5.625 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.817 -17.991 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.312 -17.202 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.538 -18.738 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.953 -17.206 6.334 1.00 0.00 H new ATOM 408 N PRO A 27 -6.956 -15.351 3.302 1.00 0.00 N ATOM 409 CA PRO A 27 -6.723 -13.910 3.009 1.00 0.00 C ATOM 410 C PRO A 27 -6.203 -13.155 4.242 1.00 0.00 C ATOM 411 O PRO A 27 -6.265 -13.649 5.350 1.00 0.00 O ATOM 412 CB PRO A 27 -8.126 -13.439 2.585 1.00 0.00 C ATOM 413 CG PRO A 27 -8.973 -14.689 2.259 1.00 0.00 C ATOM 414 CD PRO A 27 -8.224 -15.933 2.777 1.00 0.00 C ATOM 0 HA PRO A 27 -5.960 -13.732 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.591 -12.862 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.061 -12.785 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.954 -14.615 2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.138 -14.766 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.786 -16.450 3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.040 -16.656 1.982 1.00 0.00 H new ATOM 422 N LEU A 28 -5.682 -11.971 4.059 1.00 0.00 N ATOM 423 CA LEU A 28 -5.152 -11.203 5.225 1.00 0.00 C ATOM 424 C LEU A 28 -6.308 -10.800 6.140 1.00 0.00 C ATOM 425 O LEU A 28 -6.108 -10.442 7.284 1.00 0.00 O ATOM 426 CB LEU A 28 -4.432 -9.940 4.739 1.00 0.00 C ATOM 427 CG LEU A 28 -3.188 -10.308 3.918 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.615 -9.035 3.289 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.120 -10.954 4.819 1.00 0.00 C ATOM 0 H LEU A 28 -5.600 -11.503 3.156 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.449 -11.831 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.110 -9.339 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.142 -9.329 5.594 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.470 -11.020 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.730 -9.285 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.364 -8.581 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.342 -8.331 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.245 -11.209 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.832 -10.253 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.525 -11.859 5.272 1.00 0.00 H new ATOM 441 N CYS A 29 -7.516 -10.849 5.649 1.00 0.00 N ATOM 442 CA CYS A 29 -8.684 -10.463 6.495 1.00 0.00 C ATOM 443 C CYS A 29 -9.891 -11.323 6.121 1.00 0.00 C ATOM 444 O CYS A 29 -9.844 -12.111 5.199 1.00 0.00 O ATOM 445 CB CYS A 29 -9.011 -8.987 6.265 1.00 0.00 C ATOM 446 SG CYS A 29 -7.584 -7.975 6.732 1.00 0.00 S ATOM 0 H CYS A 29 -7.746 -11.139 4.699 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.442 -10.620 7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.264 -8.818 5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.882 -8.700 6.854 1.00 0.00 H new ATOM 451 N ASN A 30 -10.968 -11.183 6.837 1.00 0.00 N ATOM 452 CA ASN A 30 -12.181 -11.990 6.537 1.00 0.00 C ATOM 453 C ASN A 30 -12.753 -11.590 5.173 1.00 0.00 C ATOM 454 O ASN A 30 -13.932 -11.328 5.039 1.00 0.00 O ATOM 455 CB ASN A 30 -13.222 -11.734 7.624 1.00 0.00 C ATOM 456 CG ASN A 30 -13.278 -10.235 7.919 1.00 0.00 C ATOM 457 OD1 ASN A 30 -13.795 -9.823 8.938 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.762 -9.394 7.063 1.00 0.00 N ATOM 0 H ASN A 30 -11.061 -10.540 7.623 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.920 -13.048 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.200 -12.090 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.965 -12.286 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.793 -8.392 7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.328 -9.739 6.207 1.00 0.00 H new ATOM 465 N GLY A 31 -11.935 -11.547 4.158 1.00 0.00 N ATOM 466 CA GLY A 31 -12.448 -11.172 2.810 1.00 0.00 C ATOM 467 C GLY A 31 -12.640 -9.656 2.720 1.00 0.00 C ATOM 468 O GLY A 31 -13.543 -9.177 2.065 1.00 0.00 O ATOM 0 H GLY A 31 -10.937 -11.754 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.749 -11.504 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.395 -11.678 2.620 1.00 0.00 H new ATOM 472 N SER A 32 -11.798 -8.896 3.366 1.00 0.00 N ATOM 473 CA SER A 32 -11.938 -7.413 3.305 1.00 0.00 C ATOM 474 C SER A 32 -11.763 -6.942 1.858 1.00 0.00 C ATOM 475 O SER A 32 -11.077 -7.565 1.067 1.00 0.00 O ATOM 476 CB SER A 32 -10.872 -6.759 4.184 1.00 0.00 C ATOM 477 OG SER A 32 -11.044 -7.182 5.530 1.00 0.00 O ATOM 0 H SER A 32 -11.021 -9.237 3.932 1.00 0.00 H new ATOM 0 HA SER A 32 -12.927 -7.130 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.877 -7.030 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.948 -5.674 4.120 1.00 0.00 H new ATOM 0 HG SER A 32 -10.469 -6.648 6.117 1.00 0.00 H new ATOM 483 N MET A 33 -12.387 -5.846 1.510 1.00 0.00 N ATOM 484 CA MET A 33 -12.280 -5.309 0.118 1.00 0.00 C ATOM 485 C MET A 33 -11.893 -3.829 0.195 1.00 0.00 C ATOM 486 O MET A 33 -12.244 -3.136 1.130 1.00 0.00 O ATOM 487 CB MET A 33 -13.631 -5.472 -0.586 1.00 0.00 C ATOM 488 CG MET A 33 -13.923 -6.964 -0.785 1.00 0.00 C ATOM 489 SD MET A 33 -15.559 -7.177 -1.534 1.00 0.00 S ATOM 490 CE MET A 33 -15.109 -6.767 -3.240 1.00 0.00 C ATOM 0 H MET A 33 -12.972 -5.294 2.137 1.00 0.00 H new ATOM 0 HA MET A 33 -11.521 -5.851 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.421 -5.011 0.007 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.616 -4.961 -1.549 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.160 -7.411 -1.423 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.882 -7.483 0.173 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.738 -5.951 -3.596 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.063 -6.462 -3.277 1.00 0.00 H new ATOM 0 HE3 MET A 33 -15.255 -7.641 -3.875 1.00 0.00 H new ATOM 500 N VAL A 34 -11.149 -3.349 -0.770 1.00 0.00 N ATOM 501 CA VAL A 34 -10.701 -1.916 -0.758 1.00 0.00 C ATOM 502 C VAL A 34 -11.003 -1.261 -2.104 1.00 0.00 C ATOM 503 O VAL A 34 -11.223 -1.927 -3.097 1.00 0.00 O ATOM 504 CB VAL A 34 -9.195 -1.856 -0.495 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.899 -2.359 0.917 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.463 -2.743 -1.505 1.00 0.00 C ATOM 0 H VAL A 34 -10.829 -3.890 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.236 -1.383 0.028 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.855 -0.825 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.826 -2.315 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.418 -1.733 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.242 -3.389 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.390 -2.700 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.808 -3.772 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.669 -2.390 -2.516 1.00 0.00 H new ATOM 516 N TRP A 35 -11.024 0.043 -2.138 1.00 0.00 N ATOM 517 CA TRP A 35 -11.321 0.758 -3.407 1.00 0.00 C ATOM 518 C TRP A 35 -10.135 0.647 -4.361 1.00 0.00 C ATOM 519 O TRP A 35 -9.007 0.907 -3.995 1.00 0.00 O ATOM 520 CB TRP A 35 -11.548 2.241 -3.110 1.00 0.00 C ATOM 521 CG TRP A 35 -12.805 2.425 -2.332 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.884 2.463 -0.982 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.158 2.610 -2.829 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.202 2.662 -0.618 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.027 2.759 -1.723 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.711 2.662 -4.122 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.397 2.955 -1.892 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.091 2.857 -4.295 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.932 3.004 -3.182 1.00 0.00 C ATOM 0 H TRP A 35 -10.847 0.646 -1.335 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.207 0.313 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.703 2.640 -2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.604 2.801 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.053 2.355 -0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.526 2.729 0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.071 2.551 -4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.040 3.068 -1.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.507 2.894 -5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.992 3.155 -3.322 1.00 0.00 H new ATOM 540 N SER A 36 -10.381 0.303 -5.593 1.00 0.00 N ATOM 541 CA SER A 36 -9.263 0.228 -6.565 1.00 0.00 C ATOM 542 C SER A 36 -8.795 1.657 -6.829 1.00 0.00 C ATOM 543 O SER A 36 -9.590 2.576 -6.838 1.00 0.00 O ATOM 544 CB SER A 36 -9.752 -0.408 -7.868 1.00 0.00 C ATOM 545 OG SER A 36 -8.673 -0.474 -8.790 1.00 0.00 O ATOM 0 H SER A 36 -11.302 0.072 -5.965 1.00 0.00 H new ATOM 0 HA SER A 36 -8.447 -0.379 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.142 -1.407 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.570 0.178 -8.288 1.00 0.00 H new ATOM 0 HG SER A 36 -8.981 -0.882 -9.626 1.00 0.00 H new ATOM 551 N ILE A 37 -7.518 1.862 -7.028 1.00 0.00 N ATOM 552 CA ILE A 37 -7.000 3.249 -7.272 1.00 0.00 C ATOM 553 C ILE A 37 -6.108 3.267 -8.512 1.00 0.00 C ATOM 554 O ILE A 37 -5.614 2.249 -8.954 1.00 0.00 O ATOM 555 CB ILE A 37 -6.183 3.712 -6.060 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.109 2.661 -5.715 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.116 3.905 -4.860 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.005 3.304 -4.870 1.00 0.00 C ATOM 0 H ILE A 37 -6.808 1.130 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.846 3.919 -7.427 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.693 4.656 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.560 1.832 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.685 2.247 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.536 4.234 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.867 4.657 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.609 2.961 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.249 2.557 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.545 4.118 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.434 3.696 -3.948 1.00 0.00 H new ATOM 570 N ASN A 38 -5.889 4.426 -9.067 1.00 0.00 N ATOM 571 CA ASN A 38 -5.019 4.524 -10.268 1.00 0.00 C ATOM 572 C ASN A 38 -3.573 4.622 -9.790 1.00 0.00 C ATOM 573 O ASN A 38 -3.220 5.511 -9.040 1.00 0.00 O ATOM 574 CB ASN A 38 -5.387 5.782 -11.060 1.00 0.00 C ATOM 575 CG ASN A 38 -6.881 5.756 -11.398 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.560 6.759 -11.284 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.425 4.645 -11.812 1.00 0.00 N ATOM 0 H ASN A 38 -6.277 5.311 -8.739 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.148 3.653 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.151 6.673 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.797 5.834 -11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.419 4.618 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.856 3.804 -11.908 1.00 0.00 H new ATOM 584 N LEU A 39 -2.736 3.704 -10.188 1.00 0.00 N ATOM 585 CA LEU A 39 -1.323 3.742 -9.720 1.00 0.00 C ATOM 586 C LEU A 39 -0.523 4.748 -10.554 1.00 0.00 C ATOM 587 O LEU A 39 -0.250 4.528 -11.717 1.00 0.00 O ATOM 588 CB LEU A 39 -0.696 2.345 -9.858 1.00 0.00 C ATOM 589 CG LEU A 39 -1.295 1.371 -8.823 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.972 1.829 -7.388 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.817 1.280 -9.014 1.00 0.00 C ATOM 0 H LEU A 39 -2.968 2.933 -10.814 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.302 4.048 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.866 1.963 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.383 2.411 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.851 0.387 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.405 1.127 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.109 1.864 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.391 2.821 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.235 0.591 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.260 2.267 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.037 0.918 -10.018 1.00 0.00 H new ATOM 603 N THR A 40 -0.141 5.853 -9.959 1.00 0.00 N ATOM 604 CA THR A 40 0.648 6.885 -10.698 1.00 0.00 C ATOM 605 C THR A 40 1.731 7.461 -9.777 1.00 0.00 C ATOM 606 O THR A 40 2.729 6.826 -9.502 1.00 0.00 O ATOM 607 CB THR A 40 -0.282 8.018 -11.145 1.00 0.00 C ATOM 608 OG1 THR A 40 -1.143 8.372 -10.070 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.116 7.559 -12.340 1.00 0.00 C ATOM 0 H THR A 40 -0.344 6.084 -8.987 1.00 0.00 H new ATOM 0 HA THR A 40 1.113 6.425 -11.570 1.00 0.00 H new ATOM 0 HB THR A 40 0.314 8.883 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.738 9.098 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.776 8.367 -12.655 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.454 7.289 -13.163 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.713 6.693 -12.056 1.00 0.00 H new ATOM 617 N ALA A 41 1.542 8.668 -9.308 1.00 0.00 N ATOM 618 CA ALA A 41 2.559 9.306 -8.415 1.00 0.00 C ATOM 619 C ALA A 41 2.222 9.051 -6.942 1.00 0.00 C ATOM 620 O ALA A 41 2.812 8.206 -6.299 1.00 0.00 O ATOM 621 CB ALA A 41 2.575 10.814 -8.670 1.00 0.00 C ATOM 0 H ALA A 41 0.723 9.243 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 41 3.536 8.874 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.314 11.285 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.832 11.004 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.590 11.229 -8.458 1.00 0.00 H new ATOM 627 N GLY A 42 1.296 9.800 -6.401 1.00 0.00 N ATOM 628 CA GLY A 42 0.925 9.638 -4.960 1.00 0.00 C ATOM 629 C GLY A 42 0.309 8.260 -4.708 1.00 0.00 C ATOM 630 O GLY A 42 -0.693 8.135 -4.032 1.00 0.00 O ATOM 0 H GLY A 42 0.776 10.523 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.809 9.765 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.217 10.416 -4.673 1.00 0.00 H new ATOM 634 N MET A 43 0.895 7.226 -5.238 1.00 0.00 N ATOM 635 CA MET A 43 0.339 5.864 -5.017 1.00 0.00 C ATOM 636 C MET A 43 0.344 5.553 -3.519 1.00 0.00 C ATOM 637 O MET A 43 -0.578 4.964 -2.992 1.00 0.00 O ATOM 638 CB MET A 43 1.213 4.847 -5.747 1.00 0.00 C ATOM 639 CG MET A 43 1.258 5.205 -7.231 1.00 0.00 C ATOM 640 SD MET A 43 2.027 3.860 -8.166 1.00 0.00 S ATOM 641 CE MET A 43 3.621 3.874 -7.318 1.00 0.00 C ATOM 0 H MET A 43 1.735 7.264 -5.815 1.00 0.00 H new ATOM 0 HA MET A 43 -0.682 5.814 -5.396 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.220 4.847 -5.329 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.812 3.842 -5.614 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.249 5.386 -7.601 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.821 6.127 -7.375 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.407 3.583 -8.015 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.824 4.876 -6.941 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.596 3.171 -6.485 1.00 0.00 H new ATOM 651 N TYR A 44 1.387 5.940 -2.833 1.00 0.00 N ATOM 652 CA TYR A 44 1.471 5.664 -1.368 1.00 0.00 C ATOM 653 C TYR A 44 0.323 6.363 -0.631 1.00 0.00 C ATOM 654 O TYR A 44 -0.329 5.784 0.215 1.00 0.00 O ATOM 655 CB TYR A 44 2.802 6.193 -0.831 1.00 0.00 C ATOM 656 CG TYR A 44 3.941 5.379 -1.401 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.544 5.765 -2.604 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.395 4.237 -0.726 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.599 5.010 -3.131 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.450 3.485 -1.255 1.00 0.00 C ATOM 661 CZ TYR A 44 6.052 3.872 -2.456 1.00 0.00 C ATOM 662 OH TYR A 44 7.093 3.131 -2.973 1.00 0.00 O ATOM 0 H TYR A 44 2.187 6.437 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 44 1.400 4.589 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.922 7.243 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.813 6.139 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.196 6.644 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.931 3.938 0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.063 5.307 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.799 2.605 -0.735 1.00 0.00 H new ATOM 0 HH TYR A 44 7.891 3.695 -3.047 1.00 0.00 H new ATOM 672 N CYS A 45 0.082 7.608 -0.935 1.00 0.00 N ATOM 673 CA CYS A 45 -1.012 8.351 -0.244 1.00 0.00 C ATOM 674 C CYS A 45 -2.372 7.767 -0.634 1.00 0.00 C ATOM 675 O CYS A 45 -3.206 7.505 0.211 1.00 0.00 O ATOM 676 CB CYS A 45 -0.951 9.824 -0.646 1.00 0.00 C ATOM 677 SG CYS A 45 0.462 10.636 0.159 1.00 0.00 S ATOM 0 H CYS A 45 0.596 8.145 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.885 8.258 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.860 9.910 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.877 10.324 -0.363 1.00 0.00 H new ATOM 682 N ALA A 46 -2.610 7.563 -1.901 1.00 0.00 N ATOM 683 CA ALA A 46 -3.921 6.996 -2.329 1.00 0.00 C ATOM 684 C ALA A 46 -4.108 5.621 -1.685 1.00 0.00 C ATOM 685 O ALA A 46 -5.157 5.301 -1.162 1.00 0.00 O ATOM 686 CB ALA A 46 -3.940 6.854 -3.851 1.00 0.00 C ATOM 0 H ALA A 46 -1.955 7.764 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.728 7.659 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.898 6.440 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.800 7.833 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.136 6.188 -4.164 1.00 0.00 H new ATOM 692 N ALA A 47 -3.094 4.807 -1.713 1.00 0.00 N ATOM 693 CA ALA A 47 -3.205 3.461 -1.097 1.00 0.00 C ATOM 694 C ALA A 47 -3.469 3.612 0.404 1.00 0.00 C ATOM 695 O ALA A 47 -4.208 2.851 0.994 1.00 0.00 O ATOM 696 CB ALA A 47 -1.895 2.699 -1.318 1.00 0.00 C ATOM 0 H ALA A 47 -2.191 5.017 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.027 2.910 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.970 1.709 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.709 2.598 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.073 3.247 -0.856 1.00 0.00 H new ATOM 702 N LEU A 48 -2.850 4.577 1.030 1.00 0.00 N ATOM 703 CA LEU A 48 -3.040 4.756 2.499 1.00 0.00 C ATOM 704 C LEU A 48 -4.512 5.023 2.838 1.00 0.00 C ATOM 705 O LEU A 48 -5.069 4.386 3.708 1.00 0.00 O ATOM 706 CB LEU A 48 -2.184 5.939 2.964 1.00 0.00 C ATOM 707 CG LEU A 48 -2.348 6.167 4.477 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.915 4.913 5.257 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.470 7.355 4.889 1.00 0.00 C ATOM 0 H LEU A 48 -2.222 5.248 0.588 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.737 3.841 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.136 5.750 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.474 6.839 2.422 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.394 6.372 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.037 5.089 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.532 4.066 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.869 4.694 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.574 7.531 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.428 7.135 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.783 8.245 4.343 1.00 0.00 H new ATOM 721 N GLU A 49 -5.154 5.948 2.175 1.00 0.00 N ATOM 722 CA GLU A 49 -6.584 6.223 2.505 1.00 0.00 C ATOM 723 C GLU A 49 -7.414 4.960 2.287 1.00 0.00 C ATOM 724 O GLU A 49 -8.307 4.656 3.054 1.00 0.00 O ATOM 725 CB GLU A 49 -7.127 7.366 1.640 1.00 0.00 C ATOM 726 CG GLU A 49 -6.714 7.161 0.185 1.00 0.00 C ATOM 727 CD GLU A 49 -7.316 8.272 -0.678 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.509 8.220 -0.931 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.573 9.157 -1.071 1.00 0.00 O ATOM 0 H GLU A 49 -4.757 6.519 1.429 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.652 6.522 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.214 7.406 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.747 8.321 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.627 7.168 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.055 6.187 -0.167 1.00 0.00 H new ATOM 736 N SER A 50 -7.134 4.216 1.256 1.00 0.00 N ATOM 737 CA SER A 50 -7.922 2.977 1.017 1.00 0.00 C ATOM 738 C SER A 50 -7.748 2.033 2.212 1.00 0.00 C ATOM 739 O SER A 50 -8.681 1.397 2.659 1.00 0.00 O ATOM 740 CB SER A 50 -7.409 2.288 -0.250 1.00 0.00 C ATOM 741 OG SER A 50 -7.707 3.096 -1.382 1.00 0.00 O ATOM 0 H SER A 50 -6.401 4.409 0.574 1.00 0.00 H new ATOM 0 HA SER A 50 -8.976 3.228 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.334 2.126 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.873 1.308 -0.357 1.00 0.00 H new ATOM 0 HG SER A 50 -7.377 2.656 -2.194 1.00 0.00 H new ATOM 747 N LEU A 51 -6.552 1.938 2.727 1.00 0.00 N ATOM 748 CA LEU A 51 -6.297 1.040 3.892 1.00 0.00 C ATOM 749 C LEU A 51 -6.955 1.600 5.161 1.00 0.00 C ATOM 750 O LEU A 51 -7.443 0.859 5.992 1.00 0.00 O ATOM 751 CB LEU A 51 -4.792 0.908 4.110 1.00 0.00 C ATOM 752 CG LEU A 51 -4.155 0.157 2.930 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.636 0.234 3.064 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.601 -1.322 2.920 1.00 0.00 C ATOM 0 H LEU A 51 -5.735 2.447 2.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.727 0.061 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.342 1.896 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.596 0.374 5.040 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.476 0.617 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.170 -0.295 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.322 1.278 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.330 -0.226 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.139 -1.836 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.294 -1.801 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.686 -1.374 2.826 1.00 0.00 H new ATOM 766 N ILE A 52 -6.963 2.899 5.328 1.00 0.00 N ATOM 767 CA ILE A 52 -7.580 3.490 6.555 1.00 0.00 C ATOM 768 C ILE A 52 -9.018 2.980 6.689 1.00 0.00 C ATOM 769 O ILE A 52 -9.602 3.020 7.754 1.00 0.00 O ATOM 770 CB ILE A 52 -7.566 5.030 6.451 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.128 5.565 6.613 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.460 5.658 7.523 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.526 5.171 7.977 1.00 0.00 C ATOM 0 H ILE A 52 -6.571 3.573 4.671 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.011 3.193 7.436 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.948 5.301 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.501 5.174 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.130 6.651 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.433 6.744 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.484 5.308 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.100 5.371 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.513 5.565 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.139 5.584 8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.500 4.085 8.063 1.00 0.00 H new ATOM 785 N ASN A 53 -9.593 2.498 5.621 1.00 0.00 N ATOM 786 CA ASN A 53 -10.993 1.983 5.693 1.00 0.00 C ATOM 787 C ASN A 53 -10.979 0.524 6.155 1.00 0.00 C ATOM 788 O ASN A 53 -11.990 -0.023 6.549 1.00 0.00 O ATOM 789 CB ASN A 53 -11.636 2.076 4.309 1.00 0.00 C ATOM 790 CG ASN A 53 -11.875 3.545 3.963 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.012 4.371 4.844 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.929 3.911 2.710 1.00 0.00 N ATOM 0 H ASN A 53 -9.155 2.438 4.702 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.566 2.580 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.989 1.615 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.579 1.529 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.086 4.890 2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.814 3.218 1.971 1.00 0.00 H new ATOM 799 N VAL A 54 -9.838 -0.109 6.118 1.00 0.00 N ATOM 800 CA VAL A 54 -9.750 -1.533 6.565 1.00 0.00 C ATOM 801 C VAL A 54 -9.434 -1.557 8.063 1.00 0.00 C ATOM 802 O VAL A 54 -8.427 -1.033 8.497 1.00 0.00 O ATOM 803 CB VAL A 54 -8.636 -2.242 5.790 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.667 -3.742 6.094 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.842 -2.027 4.291 1.00 0.00 C ATOM 0 H VAL A 54 -8.959 0.298 5.797 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.694 -2.044 6.378 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.672 -1.831 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.872 -4.242 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.519 -3.900 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.631 -4.154 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.049 -2.532 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.808 -2.436 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.816 -0.960 4.070 1.00 0.00 H new ATOM 815 N SER A 55 -10.297 -2.145 8.857 1.00 0.00 N ATOM 816 CA SER A 55 -10.068 -2.192 10.339 1.00 0.00 C ATOM 817 C SER A 55 -10.180 -3.632 10.842 1.00 0.00 C ATOM 818 O SER A 55 -10.912 -4.438 10.302 1.00 0.00 O ATOM 819 CB SER A 55 -11.130 -1.339 11.036 1.00 0.00 C ATOM 820 OG SER A 55 -10.955 0.024 10.670 1.00 0.00 O ATOM 0 H SER A 55 -11.155 -2.597 8.542 1.00 0.00 H new ATOM 0 HA SER A 55 -9.071 -1.810 10.559 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.127 -1.678 10.754 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.049 -1.450 12.117 1.00 0.00 H new ATOM 0 HG SER A 55 -11.635 0.572 11.114 1.00 0.00 H new ATOM 826 N GLY A 56 -9.462 -3.956 11.885 1.00 0.00 N ATOM 827 CA GLY A 56 -9.522 -5.337 12.446 1.00 0.00 C ATOM 828 C GLY A 56 -8.478 -6.229 11.770 1.00 0.00 C ATOM 829 O GLY A 56 -8.640 -7.430 11.683 1.00 0.00 O ATOM 0 H GLY A 56 -8.833 -3.319 12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.345 -5.308 13.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.518 -5.754 12.298 1.00 0.00 H new ATOM 833 N CYS A 57 -7.401 -5.656 11.295 1.00 0.00 N ATOM 834 CA CYS A 57 -6.340 -6.475 10.631 1.00 0.00 C ATOM 835 C CYS A 57 -4.962 -5.913 10.997 1.00 0.00 C ATOM 836 O CYS A 57 -4.497 -4.949 10.421 1.00 0.00 O ATOM 837 CB CYS A 57 -6.536 -6.426 9.114 1.00 0.00 C ATOM 838 SG CYS A 57 -7.943 -7.469 8.655 1.00 0.00 S ATOM 0 H CYS A 57 -7.210 -4.655 11.338 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.408 -7.509 10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.710 -5.399 8.792 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.634 -6.770 8.608 1.00 0.00 H new ATOM 843 N SER A 58 -4.309 -6.512 11.959 1.00 0.00 N ATOM 844 CA SER A 58 -2.962 -6.026 12.380 1.00 0.00 C ATOM 845 C SER A 58 -1.943 -6.297 11.272 1.00 0.00 C ATOM 846 O SER A 58 -0.993 -5.560 11.094 1.00 0.00 O ATOM 847 CB SER A 58 -2.532 -6.752 13.655 1.00 0.00 C ATOM 848 OG SER A 58 -1.355 -6.139 14.168 1.00 0.00 O ATOM 0 H SER A 58 -4.654 -7.322 12.474 1.00 0.00 H new ATOM 0 HA SER A 58 -3.011 -4.954 12.569 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.330 -6.713 14.397 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.345 -7.805 13.443 1.00 0.00 H new ATOM 0 HG SER A 58 -1.076 -6.600 14.987 1.00 0.00 H new ATOM 854 N ALA A 59 -2.124 -7.357 10.538 1.00 0.00 N ATOM 855 CA ALA A 59 -1.158 -7.692 9.453 1.00 0.00 C ATOM 856 C ALA A 59 -0.919 -6.479 8.548 1.00 0.00 C ATOM 857 O ALA A 59 0.124 -6.366 7.935 1.00 0.00 O ATOM 858 CB ALA A 59 -1.716 -8.842 8.613 1.00 0.00 C ATOM 0 H ALA A 59 -2.901 -8.009 10.642 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.212 -7.984 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.011 -9.088 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.868 -9.715 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.667 -8.543 8.173 1.00 0.00 H new ATOM 864 N ILE A 60 -1.870 -5.577 8.443 1.00 0.00 N ATOM 865 CA ILE A 60 -1.682 -4.381 7.553 1.00 0.00 C ATOM 866 C ILE A 60 -1.437 -3.117 8.388 1.00 0.00 C ATOM 867 O ILE A 60 -1.083 -2.082 7.859 1.00 0.00 O ATOM 868 CB ILE A 60 -2.927 -4.200 6.671 1.00 0.00 C ATOM 869 CG1 ILE A 60 -4.177 -3.976 7.533 1.00 0.00 C ATOM 870 CG2 ILE A 60 -3.123 -5.458 5.825 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.353 -3.600 6.628 1.00 0.00 C ATOM 0 H ILE A 60 -2.764 -5.616 8.932 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.810 -4.545 6.921 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.782 -3.329 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.411 -4.879 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.995 -3.185 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.005 -5.339 5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.246 -5.614 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.258 -6.319 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.243 -3.440 7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.116 -2.686 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.538 -4.406 5.918 1.00 0.00 H new ATOM 883 N GLU A 61 -1.608 -3.182 9.682 1.00 0.00 N ATOM 884 CA GLU A 61 -1.367 -1.963 10.512 1.00 0.00 C ATOM 885 C GLU A 61 0.085 -1.514 10.338 1.00 0.00 C ATOM 886 O GLU A 61 0.364 -0.341 10.183 1.00 0.00 O ATOM 887 CB GLU A 61 -1.637 -2.276 11.986 1.00 0.00 C ATOM 888 CG GLU A 61 -3.146 -2.366 12.227 1.00 0.00 C ATOM 889 CD GLU A 61 -3.769 -0.975 12.113 1.00 0.00 C ATOM 890 OE1 GLU A 61 -3.035 -0.008 12.215 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.972 -0.902 11.925 1.00 0.00 O ATOM 0 H GLU A 61 -1.900 -4.014 10.195 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.037 -1.166 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.158 -3.216 12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.204 -1.500 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.601 -3.039 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.342 -2.783 13.215 1.00 0.00 H new ATOM 898 N LYS A 62 1.011 -2.434 10.343 1.00 0.00 N ATOM 899 CA LYS A 62 2.439 -2.050 10.152 1.00 0.00 C ATOM 900 C LYS A 62 2.614 -1.463 8.753 1.00 0.00 C ATOM 901 O LYS A 62 3.324 -0.499 8.553 1.00 0.00 O ATOM 902 CB LYS A 62 3.324 -3.289 10.294 1.00 0.00 C ATOM 903 CG LYS A 62 3.328 -3.736 11.752 1.00 0.00 C ATOM 904 CD LYS A 62 4.208 -4.975 11.910 1.00 0.00 C ATOM 905 CE LYS A 62 4.204 -5.413 13.377 1.00 0.00 C ATOM 906 NZ LYS A 62 4.862 -4.366 14.210 1.00 0.00 N ATOM 0 H LYS A 62 0.842 -3.432 10.471 1.00 0.00 H new ATOM 0 HA LYS A 62 2.724 -1.312 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.953 -4.091 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.339 -3.065 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.699 -2.932 12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.311 -3.957 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.838 -5.781 11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.226 -4.756 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.181 -5.573 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.729 -6.362 13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.150 -4.777 15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.701 -4.003 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.195 -3.586 14.378 1.00 0.00 H new ATOM 920 N THR A 63 1.963 -2.041 7.782 1.00 0.00 N ATOM 921 CA THR A 63 2.085 -1.528 6.392 1.00 0.00 C ATOM 922 C THR A 63 1.608 -0.079 6.341 1.00 0.00 C ATOM 923 O THR A 63 2.189 0.750 5.671 1.00 0.00 O ATOM 924 CB THR A 63 1.231 -2.391 5.459 1.00 0.00 C ATOM 925 OG1 THR A 63 1.686 -3.738 5.515 1.00 0.00 O ATOM 926 CG2 THR A 63 1.339 -1.874 4.024 1.00 0.00 C ATOM 0 H THR A 63 1.350 -2.849 7.893 1.00 0.00 H new ATOM 0 HA THR A 63 3.126 -1.572 6.072 1.00 0.00 H new ATOM 0 HB THR A 63 0.190 -2.342 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.140 -4.293 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.729 -2.494 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.987 -0.843 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.379 -1.916 3.699 1.00 0.00 H new ATOM 934 N GLN A 64 0.556 0.237 7.042 1.00 0.00 N ATOM 935 CA GLN A 64 0.052 1.637 7.025 1.00 0.00 C ATOM 936 C GLN A 64 1.141 2.581 7.542 1.00 0.00 C ATOM 937 O GLN A 64 1.363 3.644 6.995 1.00 0.00 O ATOM 938 CB GLN A 64 -1.188 1.743 7.915 1.00 0.00 C ATOM 939 CG GLN A 64 -2.357 0.999 7.260 1.00 0.00 C ATOM 940 CD GLN A 64 -3.575 1.048 8.187 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.434 1.173 9.387 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.774 0.956 7.678 1.00 0.00 N ATOM 0 H GLN A 64 0.025 -0.411 7.624 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.211 1.917 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.980 1.320 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.450 2.790 8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.599 1.453 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.078 -0.036 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.894 0.851 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.591 0.989 8.288 1.00 0.00 H new ATOM 951 N ARG A 65 1.828 2.204 8.585 1.00 0.00 N ATOM 952 CA ARG A 65 2.906 3.087 9.120 1.00 0.00 C ATOM 953 C ARG A 65 3.971 3.290 8.041 1.00 0.00 C ATOM 954 O ARG A 65 4.375 4.400 7.756 1.00 0.00 O ATOM 955 CB ARG A 65 3.555 2.423 10.338 1.00 0.00 C ATOM 956 CG ARG A 65 4.666 3.322 10.903 1.00 0.00 C ATOM 957 CD ARG A 65 5.301 2.642 12.115 1.00 0.00 C ATOM 958 NE ARG A 65 4.314 2.575 13.247 1.00 0.00 N ATOM 959 CZ ARG A 65 3.818 3.651 13.796 1.00 0.00 C ATOM 960 NH1 ARG A 65 4.255 4.832 13.455 1.00 0.00 N ATOM 961 NH2 ARG A 65 2.906 3.540 14.723 1.00 0.00 N ATOM 0 H ARG A 65 1.692 1.328 9.089 1.00 0.00 H new ATOM 0 HA ARG A 65 2.478 4.047 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.802 2.237 11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.969 1.455 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.421 3.509 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.255 4.290 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.628 1.637 11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.188 3.193 12.428 1.00 0.00 H new ATOM 0 HE ARG A 65 4.023 1.662 13.597 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.990 4.921 12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.861 5.667 13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.585 2.617 15.015 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.514 4.376 15.156 1.00 0.00 H new ATOM 975 N MET A 66 4.440 2.224 7.448 1.00 0.00 N ATOM 976 CA MET A 66 5.490 2.357 6.401 1.00 0.00 C ATOM 977 C MET A 66 4.950 3.210 5.247 1.00 0.00 C ATOM 978 O MET A 66 5.650 4.038 4.701 1.00 0.00 O ATOM 979 CB MET A 66 5.879 0.969 5.888 1.00 0.00 C ATOM 980 CG MET A 66 6.646 0.216 6.985 1.00 0.00 C ATOM 981 SD MET A 66 7.355 -1.307 6.307 1.00 0.00 S ATOM 982 CE MET A 66 5.809 -2.224 6.101 1.00 0.00 C ATOM 0 H MET A 66 4.141 1.269 7.644 1.00 0.00 H new ATOM 0 HA MET A 66 6.371 2.840 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.987 0.411 5.604 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.496 1.059 4.994 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.438 0.848 7.387 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.976 -0.021 7.812 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.027 -3.228 5.738 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.294 -2.289 7.059 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.173 -1.708 5.382 1.00 0.00 H new ATOM 992 N LEU A 67 3.708 3.026 4.879 1.00 0.00 N ATOM 993 CA LEU A 67 3.135 3.847 3.771 1.00 0.00 C ATOM 994 C LEU A 67 3.129 5.314 4.196 1.00 0.00 C ATOM 995 O LEU A 67 3.420 6.200 3.417 1.00 0.00 O ATOM 996 CB LEU A 67 1.701 3.401 3.472 1.00 0.00 C ATOM 997 CG LEU A 67 1.695 2.009 2.819 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.257 1.493 2.767 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.256 2.079 1.387 1.00 0.00 C ATOM 0 H LEU A 67 3.070 2.348 5.295 1.00 0.00 H new ATOM 0 HA LEU A 67 3.740 3.717 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.121 3.379 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.220 4.122 2.810 1.00 0.00 H new ATOM 0 HG LEU A 67 2.321 1.339 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.241 0.506 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.143 1.427 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.354 2.178 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.243 1.084 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.642 2.752 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.280 2.451 1.415 1.00 0.00 H new ATOM 1011 N SER A 68 2.804 5.576 5.432 1.00 0.00 N ATOM 1012 CA SER A 68 2.785 6.984 5.915 1.00 0.00 C ATOM 1013 C SER A 68 4.178 7.579 5.743 1.00 0.00 C ATOM 1014 O SER A 68 4.334 8.723 5.366 1.00 0.00 O ATOM 1015 CB SER A 68 2.393 7.027 7.395 1.00 0.00 C ATOM 1016 OG SER A 68 1.058 6.563 7.541 1.00 0.00 O ATOM 0 H SER A 68 2.551 4.875 6.128 1.00 0.00 H new ATOM 0 HA SER A 68 2.057 7.557 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.072 6.407 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.480 8.044 7.777 1.00 0.00 H new ATOM 0 HG SER A 68 1.031 5.594 7.396 1.00 0.00 H new ATOM 1022 N GLY A 69 5.197 6.811 6.017 1.00 0.00 N ATOM 1023 CA GLY A 69 6.583 7.340 5.871 1.00 0.00 C ATOM 1024 C GLY A 69 6.739 7.999 4.495 1.00 0.00 C ATOM 1025 O GLY A 69 7.466 8.960 4.338 1.00 0.00 O ATOM 0 H GLY A 69 5.131 5.844 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.792 8.064 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.305 6.531 5.982 1.00 0.00 H new ATOM 1029 N PHE A 70 6.050 7.505 3.499 1.00 0.00 N ATOM 1030 CA PHE A 70 6.148 8.120 2.138 1.00 0.00 C ATOM 1031 C PHE A 70 5.063 9.188 2.007 1.00 0.00 C ATOM 1032 O PHE A 70 5.040 9.966 1.073 1.00 0.00 O ATOM 1033 CB PHE A 70 5.926 7.045 1.071 1.00 0.00 C ATOM 1034 CG PHE A 70 7.112 6.112 1.028 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.187 6.397 0.180 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.137 4.964 1.829 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.287 5.537 0.131 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.240 4.103 1.780 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.314 4.390 0.931 1.00 0.00 C ATOM 0 H PHE A 70 5.424 6.703 3.567 1.00 0.00 H new ATOM 0 HA PHE A 70 7.134 8.564 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.018 6.483 1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.784 7.512 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.167 7.283 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.307 4.743 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.116 5.758 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.262 3.217 2.398 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.165 3.726 0.893 1.00 0.00 H new ATOM 1049 N CYS A 71 4.164 9.222 2.952 1.00 0.00 N ATOM 1050 CA CYS A 71 3.054 10.222 2.936 1.00 0.00 C ATOM 1051 C CYS A 71 2.993 10.904 4.314 1.00 0.00 C ATOM 1052 O CYS A 71 2.166 10.562 5.136 1.00 0.00 O ATOM 1053 CB CYS A 71 1.741 9.483 2.657 1.00 0.00 C ATOM 1054 SG CYS A 71 1.611 9.134 0.882 1.00 0.00 S ATOM 0 H CYS A 71 4.150 8.587 3.750 1.00 0.00 H new ATOM 0 HA CYS A 71 3.217 10.976 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.706 8.553 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.894 10.087 2.983 1.00 0.00 H new ATOM 1059 N PRO A 72 3.882 11.843 4.581 1.00 0.00 N ATOM 1060 CA PRO A 72 3.915 12.535 5.909 1.00 0.00 C ATOM 1061 C PRO A 72 2.567 13.144 6.330 1.00 0.00 C ATOM 1062 O PRO A 72 2.452 13.710 7.399 1.00 0.00 O ATOM 1063 CB PRO A 72 4.980 13.626 5.682 1.00 0.00 C ATOM 1064 CG PRO A 72 5.773 13.252 4.420 1.00 0.00 C ATOM 1065 CD PRO A 72 4.914 12.282 3.593 1.00 0.00 C ATOM 0 HA PRO A 72 4.138 11.847 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.508 14.601 5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.644 13.697 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.008 14.144 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.722 12.787 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.466 12.772 2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.498 11.443 3.216 1.00 0.00 H new ATOM 1073 N HIS A 73 1.548 13.031 5.515 1.00 0.00 N ATOM 1074 CA HIS A 73 0.218 13.606 5.895 1.00 0.00 C ATOM 1075 C HIS A 73 -0.668 12.492 6.465 1.00 0.00 C ATOM 1076 O HIS A 73 -0.966 11.520 5.801 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.441 14.232 4.657 1.00 0.00 C ATOM 1078 CG HIS A 73 -0.922 13.157 3.724 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.248 12.755 3.679 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.267 12.395 2.793 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.347 11.791 2.747 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.168 11.533 2.177 1.00 0.00 N ATOM 0 H HIS A 73 1.577 12.568 4.607 1.00 0.00 H new ATOM 0 HA HIS A 73 0.349 14.379 6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.278 14.861 4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.272 14.877 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.788 12.455 2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.267 11.287 2.491 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.970 10.850 1.446 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.083 12.627 7.694 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.942 11.580 8.315 1.00 0.00 C ATOM 1092 C LYS A 74 -3.364 11.682 7.762 1.00 0.00 C ATOM 1093 O LYS A 74 -3.894 12.762 7.588 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.957 11.783 9.831 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.582 11.427 10.404 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.586 11.626 11.919 1.00 0.00 C ATOM 1097 CE LYS A 74 0.795 11.273 12.480 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.789 11.430 13.962 1.00 0.00 N ATOM 0 H LYS A 74 -0.863 13.420 8.297 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.544 10.592 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.206 12.817 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.726 11.158 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.335 10.393 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.185 12.052 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.836 12.659 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.349 10.997 12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.055 10.249 12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.554 11.920 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.727 11.190 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.559 12.414 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.076 10.795 14.375 1.00 0.00 H new ATOM 1112 N VAL A 75 -3.986 10.559 7.481 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.381 10.570 6.933 1.00 0.00 C ATOM 1114 C VAL A 75 -6.339 9.980 7.965 1.00 0.00 C ATOM 1115 O VAL A 75 -6.116 8.909 8.495 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.435 9.722 5.659 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -6.850 9.762 5.078 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.448 10.280 4.634 1.00 0.00 C ATOM 0 H VAL A 75 -3.584 9.630 7.609 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.671 11.596 6.706 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.169 8.692 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.888 9.158 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.555 9.364 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.117 10.792 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.486 9.677 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.714 11.310 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.440 10.251 5.047 1.00 0.00 H new ATOM 1128 N SER A 76 -7.414 10.667 8.248 1.00 0.00 N ATOM 1129 CA SER A 76 -8.401 10.147 9.241 1.00 0.00 C ATOM 1130 C SER A 76 -9.519 9.403 8.503 1.00 0.00 C ATOM 1131 O SER A 76 -9.704 9.559 7.313 1.00 0.00 O ATOM 1132 CB SER A 76 -8.991 11.318 10.029 1.00 0.00 C ATOM 1133 OG SER A 76 -9.587 12.239 9.127 1.00 0.00 O ATOM 0 H SER A 76 -7.652 11.568 7.834 1.00 0.00 H new ATOM 0 HA SER A 76 -7.906 9.462 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.734 10.955 10.740 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.210 11.812 10.608 1.00 0.00 H new ATOM 0 HG SER A 76 -9.967 12.989 9.630 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.259 8.586 9.202 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.359 7.818 8.547 1.00 0.00 C ATOM 1141 C ALA A 77 -12.383 8.774 7.928 1.00 0.00 C ATOM 1142 O ALA A 77 -13.319 8.350 7.281 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.051 6.933 9.586 1.00 0.00 C ATOM 0 H ALA A 77 -10.150 8.416 10.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.934 7.198 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.854 6.372 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.327 6.239 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.465 7.557 10.378 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.217 10.059 8.121 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.187 11.048 7.543 1.00 0.00 C ATOM 1151 C GLY A 78 -12.545 11.785 6.365 1.00 0.00 C ATOM 1152 O GLY A 78 -13.224 12.274 5.483 1.00 0.00 O ATOM 0 H GLY A 78 -11.451 10.469 8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.089 10.534 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.490 11.763 8.308 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.242 11.883 6.350 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.550 12.607 5.239 1.00 0.00 C ATOM 1158 C GLN A 79 -10.200 11.642 4.101 1.00 0.00 C ATOM 1159 O GLN A 79 -9.458 10.697 4.284 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.259 13.228 5.775 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.597 14.351 6.754 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.302 14.964 7.288 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.279 14.309 7.331 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.300 16.203 7.697 1.00 0.00 N ATOM 0 H GLN A 79 -10.624 11.492 7.061 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.216 13.380 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.657 12.467 6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.662 13.618 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.196 15.114 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.196 13.963 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.158 16.753 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.440 16.621 8.053 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.715 11.892 2.920 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.408 11.023 1.739 1.00 0.00 C ATOM 1175 C PHE A 80 -9.982 11.917 0.576 1.00 0.00 C ATOM 1176 O PHE A 80 -10.479 13.015 0.422 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.650 10.226 1.342 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.024 9.296 2.468 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.335 8.089 2.635 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.057 9.640 3.347 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.679 7.224 3.680 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.402 8.775 4.393 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.713 7.567 4.559 1.00 0.00 C ATOM 0 H PHE A 80 -11.343 12.671 2.722 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.609 10.326 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.476 10.903 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.456 9.656 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.537 7.825 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.588 10.572 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.147 6.293 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.199 9.039 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.980 6.900 5.365 1.00 0.00 H new ATOM 1193 N SER A 81 -9.050 11.469 -0.232 1.00 0.00 N ATOM 1194 CA SER A 81 -8.574 12.302 -1.386 1.00 0.00 C ATOM 1195 C SER A 81 -8.738 11.548 -2.711 1.00 0.00 C ATOM 1196 O SER A 81 -8.905 12.155 -3.750 1.00 0.00 O ATOM 1197 CB SER A 81 -7.094 12.630 -1.189 1.00 0.00 C ATOM 1198 OG SER A 81 -6.942 13.453 -0.040 1.00 0.00 O ATOM 0 H SER A 81 -8.596 10.560 -0.143 1.00 0.00 H new ATOM 0 HA SER A 81 -9.170 13.214 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.519 11.711 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.703 13.140 -2.069 1.00 0.00 H new ATOM 0 HG SER A 81 -5.993 13.663 0.089 1.00 0.00 H new ATOM 1204 N SER A 82 -8.645 10.236 -2.694 1.00 0.00 N ATOM 1205 CA SER A 82 -8.741 9.446 -3.972 1.00 0.00 C ATOM 1206 C SER A 82 -10.041 8.635 -4.069 1.00 0.00 C ATOM 1207 O SER A 82 -10.257 7.935 -5.038 1.00 0.00 O ATOM 1208 CB SER A 82 -7.549 8.489 -4.049 1.00 0.00 C ATOM 1209 OG SER A 82 -7.502 7.906 -5.342 1.00 0.00 O ATOM 0 H SER A 82 -8.507 9.677 -1.852 1.00 0.00 H new ATOM 0 HA SER A 82 -8.736 10.154 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.623 9.026 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.641 7.712 -3.290 1.00 0.00 H new ATOM 0 HG SER A 82 -8.414 7.742 -5.660 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.910 8.700 -3.100 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.174 7.901 -3.200 1.00 0.00 C ATOM 1217 C LEU A 83 -13.245 8.702 -3.952 1.00 0.00 C ATOM 1218 O LEU A 83 -14.415 8.378 -3.900 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.703 7.563 -1.800 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.677 6.746 -0.995 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.326 6.291 0.317 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -11.220 5.514 -1.794 1.00 0.00 C ATOM 0 H LEU A 83 -10.808 9.261 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.954 6.980 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.937 8.484 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.632 7.000 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.806 7.369 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.608 5.711 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.635 7.164 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.197 5.674 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.495 4.949 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.081 4.882 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.760 5.836 -2.728 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.868 9.745 -4.647 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.891 10.550 -5.384 1.00 0.00 C ATOM 1236 C HIS A 84 -14.318 9.805 -6.652 1.00 0.00 C ATOM 1237 O HIS A 84 -15.387 10.028 -7.184 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.297 11.907 -5.778 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.452 12.428 -4.655 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.659 12.048 -3.342 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.387 13.293 -4.634 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.739 12.675 -2.591 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.938 13.448 -3.327 1.00 0.00 N ATOM 0 H HIS A 84 -11.906 10.072 -4.736 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.756 10.702 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.696 11.804 -6.682 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.096 12.614 -6.004 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -13.379 11.408 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.962 13.779 -5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.657 12.567 -1.520 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.488 8.928 -7.141 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.839 8.174 -8.376 1.00 0.00 C ATOM 1253 C VAL A 85 -14.845 7.071 -8.031 1.00 0.00 C ATOM 1254 O VAL A 85 -14.781 6.470 -6.977 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.568 7.553 -8.958 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.849 7.037 -10.368 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.466 8.616 -9.008 1.00 0.00 C ATOM 0 H VAL A 85 -12.579 8.700 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.285 8.847 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.246 6.722 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.942 6.595 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.635 6.283 -10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.170 7.864 -11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.557 8.179 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.789 9.446 -9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.267 8.981 -8.000 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.779 6.798 -8.907 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.788 5.734 -8.616 1.00 0.00 C ATOM 1269 C ARG A 86 -16.262 4.391 -9.122 1.00 0.00 C ATOM 1270 O ARG A 86 -16.892 3.719 -9.915 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.100 6.059 -9.332 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.726 7.310 -8.714 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.039 7.631 -9.436 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.466 9.030 -9.107 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.633 9.419 -7.873 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.642 8.550 -6.900 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -20.849 10.680 -7.615 1.00 0.00 N ATOM 0 H ARG A 86 -15.886 7.264 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.962 5.685 -7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.916 6.219 -10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.788 5.218 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.912 7.151 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.038 8.152 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.909 7.524 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.813 6.924 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.630 9.693 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.518 7.558 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.773 8.863 -5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.887 11.357 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.980 10.988 -6.652 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.109 3.995 -8.661 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.529 2.693 -9.096 1.00 0.00 C ATOM 1293 C ASP A 87 -15.106 1.572 -8.230 1.00 0.00 C ATOM 1294 O ASP A 87 -15.713 1.818 -7.209 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.009 2.738 -8.940 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.418 3.691 -9.982 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.085 3.942 -10.974 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.307 4.151 -9.774 1.00 0.00 O ATOM 0 H ASP A 87 -14.540 4.520 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.777 2.508 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.745 3.071 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.590 1.740 -9.065 1.00 0.00 H new ATOM 1303 N THR A 88 -14.924 0.340 -8.624 1.00 0.00 N ATOM 1304 CA THR A 88 -15.467 -0.792 -7.816 1.00 0.00 C ATOM 1305 C THR A 88 -14.395 -1.260 -6.832 1.00 0.00 C ATOM 1306 O THR A 88 -13.224 -0.990 -7.004 1.00 0.00 O ATOM 1307 CB THR A 88 -15.855 -1.948 -8.747 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.726 -2.339 -9.517 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.981 -1.499 -9.680 1.00 0.00 C ATOM 0 H THR A 88 -14.423 0.068 -9.470 1.00 0.00 H new ATOM 0 HA THR A 88 -16.350 -0.464 -7.268 1.00 0.00 H new ATOM 0 HB THR A 88 -16.196 -2.794 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.975 -3.079 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.256 -2.321 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.848 -1.204 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.643 -0.652 -10.276 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.790 -1.947 -5.795 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.796 -2.423 -4.787 1.00 0.00 C ATOM 1319 C LYS A 89 -13.174 -3.744 -5.246 1.00 0.00 C ATOM 1320 O LYS A 89 -13.733 -4.463 -6.051 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.496 -2.660 -3.447 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.131 -1.366 -2.937 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.819 -1.645 -1.597 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.461 -0.365 -1.070 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.474 0.120 -2.048 1.00 0.00 N ATOM 0 H LYS A 89 -15.759 -2.200 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.020 -1.665 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.262 -3.427 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.778 -3.032 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.370 -0.595 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.854 -0.990 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.577 -2.419 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.093 -2.022 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.932 -0.552 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.699 0.398 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.179 1.044 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.557 -0.562 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.395 0.217 -1.575 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.014 -4.065 -4.725 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.321 -5.340 -5.098 1.00 0.00 C ATOM 1341 C ILE A 90 -10.851 -6.052 -3.822 1.00 0.00 C ATOM 1342 O ILE A 90 -10.740 -5.451 -2.773 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.117 -5.019 -5.982 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.258 -3.954 -5.296 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.603 -4.501 -7.337 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.992 -3.703 -6.114 1.00 0.00 C ATOM 0 H ILE A 90 -11.511 -3.491 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.007 -5.989 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.522 -5.919 -6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.824 -3.028 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.993 -4.280 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.744 -4.272 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.215 -5.263 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.196 -3.599 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.385 -2.944 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.422 -4.628 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.266 -3.357 -7.111 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.580 -7.328 -3.899 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.127 -8.072 -2.682 1.00 0.00 C ATOM 1360 C GLU A 91 -8.748 -7.565 -2.249 1.00 0.00 C ATOM 1361 O GLU A 91 -7.948 -7.146 -3.062 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.048 -9.569 -2.995 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.462 -10.125 -3.172 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.393 -11.619 -3.493 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.302 -12.102 -3.748 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.432 -12.256 -3.473 1.00 0.00 O ATOM 0 H GLU A 91 -10.652 -7.888 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.840 -7.908 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.465 -9.732 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.537 -10.094 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.042 -9.965 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.974 -9.594 -3.975 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.468 -7.587 -0.970 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.145 -7.088 -0.490 1.00 0.00 C ATOM 1375 C VAL A 92 -6.015 -7.874 -1.170 1.00 0.00 C ATOM 1376 O VAL A 92 -5.001 -7.318 -1.542 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.042 -7.259 1.033 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.613 -6.953 1.496 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.004 -6.295 1.728 1.00 0.00 C ATOM 0 H VAL A 92 -9.095 -7.927 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.053 -6.031 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.300 -8.287 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.547 -7.076 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.918 -7.638 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.357 -5.927 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.927 -6.420 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.747 -5.270 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.025 -6.507 1.410 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.175 -9.161 -1.326 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.101 -9.972 -1.973 1.00 0.00 C ATOM 1391 C ALA A 93 -4.729 -9.355 -3.324 1.00 0.00 C ATOM 1392 O ALA A 93 -3.570 -9.295 -3.690 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.600 -11.403 -2.184 1.00 0.00 C ATOM 0 H ALA A 93 -7.000 -9.685 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.221 -9.984 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.817 -11.996 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.858 -11.844 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.481 -11.390 -2.825 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.695 -8.893 -4.069 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.380 -8.282 -5.391 1.00 0.00 C ATOM 1401 C GLN A 94 -4.787 -6.891 -5.169 1.00 0.00 C ATOM 1402 O GLN A 94 -3.869 -6.476 -5.848 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.663 -8.164 -6.218 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.133 -9.560 -6.621 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.418 -9.449 -7.444 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.140 -8.478 -7.337 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.733 -10.408 -8.271 1.00 0.00 N ATOM 0 H GLN A 94 -6.684 -8.912 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.664 -8.907 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.437 -7.660 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.483 -7.558 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.359 -10.062 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.309 -10.166 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.127 -11.223 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.585 -10.342 -8.827 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.305 -6.173 -4.215 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.785 -4.809 -3.931 1.00 0.00 C ATOM 1418 C PHE A 95 -3.302 -4.878 -3.552 1.00 0.00 C ATOM 1419 O PHE A 95 -2.487 -4.141 -4.072 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.573 -4.219 -2.765 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.023 -2.866 -2.400 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -5.530 -1.715 -3.010 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -4.006 -2.764 -1.443 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -5.020 -0.459 -2.662 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -3.495 -1.510 -1.096 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.003 -0.357 -1.705 1.00 0.00 C ATOM 0 H PHE A 95 -6.073 -6.475 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.895 -4.186 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.625 -4.132 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.519 -4.886 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.314 -1.795 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.616 -3.655 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.411 0.432 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.709 -1.431 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.610 0.613 -1.437 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.946 -5.743 -2.642 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.517 -5.833 -2.229 1.00 0.00 C ATOM 1438 C VAL A 96 -0.648 -6.209 -3.434 1.00 0.00 C ATOM 1439 O VAL A 96 0.361 -5.587 -3.700 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.354 -6.907 -1.146 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.134 -7.065 -0.797 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.135 -6.498 0.106 1.00 0.00 C ATOM 0 H VAL A 96 -3.579 -6.388 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.205 -4.865 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.741 -7.856 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.248 -7.828 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.687 -7.362 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.524 -6.116 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.018 -7.263 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.753 -5.548 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.191 -6.392 -0.142 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.019 -7.234 -4.153 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.197 -7.659 -5.324 1.00 0.00 C ATOM 1454 C LYS A 97 -0.161 -6.570 -6.406 1.00 0.00 C ATOM 1455 O LYS A 97 0.868 -6.324 -7.004 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.775 -8.954 -5.900 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.518 -10.100 -4.917 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.092 -11.401 -5.481 1.00 0.00 C ATOM 1459 CE LYS A 97 -0.748 -12.567 -4.549 1.00 0.00 C ATOM 1460 NZ LYS A 97 0.655 -13.000 -4.804 1.00 0.00 N ATOM 0 H LYS A 97 -1.854 -7.795 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 97 0.827 -7.826 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.845 -8.842 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.315 -9.175 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.552 -10.209 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.977 -9.876 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.173 -11.316 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.687 -11.587 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.864 -12.263 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.434 -13.397 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.692 -14.037 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.990 -12.584 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.264 -12.682 -4.023 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.257 -5.907 -6.666 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.230 -4.846 -7.718 1.00 0.00 C ATOM 1476 C ASP A 98 -0.215 -3.784 -7.316 1.00 0.00 C ATOM 1477 O ASP A 98 0.581 -3.326 -8.112 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.610 -4.194 -7.835 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.597 -5.186 -8.449 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.143 -6.127 -9.078 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.788 -4.988 -8.280 1.00 0.00 O ATOM 0 H ASP A 98 -2.156 -6.049 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.958 -5.290 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.959 -3.880 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.548 -3.298 -8.452 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.236 -3.403 -6.075 1.00 0.00 N ATOM 1487 CA LEU A 99 0.719 -2.381 -5.577 1.00 0.00 C ATOM 1488 C LEU A 99 2.152 -2.919 -5.709 1.00 0.00 C ATOM 1489 O LEU A 99 3.077 -2.183 -5.985 1.00 0.00 O ATOM 1490 CB LEU A 99 0.387 -2.077 -4.110 1.00 0.00 C ATOM 1491 CG LEU A 99 1.346 -1.024 -3.543 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.235 0.284 -4.345 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.980 -0.759 -2.078 1.00 0.00 C ATOM 0 H LEU A 99 -0.884 -3.761 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 99 0.639 -1.464 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.640 -1.720 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.453 -2.991 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 99 2.370 -1.392 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.921 1.023 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.490 0.094 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.215 0.662 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.656 -0.011 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.045 -0.394 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.069 -1.684 -1.508 1.00 0.00 H new ATOM 1505 N LEU A 100 2.339 -4.197 -5.498 1.00 0.00 N ATOM 1506 CA LEU A 100 3.710 -4.792 -5.589 1.00 0.00 C ATOM 1507 C LEU A 100 4.331 -4.537 -6.968 1.00 0.00 C ATOM 1508 O LEU A 100 5.500 -4.213 -7.070 1.00 0.00 O ATOM 1509 CB LEU A 100 3.621 -6.303 -5.324 1.00 0.00 C ATOM 1510 CG LEU A 100 5.004 -6.963 -5.454 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.995 -6.322 -4.473 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.870 -8.456 -5.135 1.00 0.00 C ATOM 0 H LEU A 100 1.598 -4.858 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 100 4.348 -4.321 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.222 -6.479 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.927 -6.760 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 100 5.375 -6.824 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.969 -6.799 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.087 -5.258 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.633 -6.453 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.845 -8.936 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.496 -8.579 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.174 -8.917 -5.836 1.00 0.00 H new ATOM 1524 N LEU A 101 3.591 -4.683 -8.035 1.00 0.00 N ATOM 1525 CA LEU A 101 4.210 -4.442 -9.376 1.00 0.00 C ATOM 1526 C LEU A 101 4.720 -2.999 -9.456 1.00 0.00 C ATOM 1527 O LEU A 101 5.821 -2.745 -9.901 1.00 0.00 O ATOM 1528 CB LEU A 101 3.182 -4.650 -10.503 1.00 0.00 C ATOM 1529 CG LEU A 101 2.791 -6.133 -10.675 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.030 -7.028 -10.822 1.00 0.00 C ATOM 1531 CD2 LEU A 101 1.959 -6.596 -9.477 1.00 0.00 C ATOM 0 H LEU A 101 2.607 -4.952 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 101 5.030 -5.149 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.288 -4.064 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.593 -4.274 -11.440 1.00 0.00 H new ATOM 0 HG LEU A 101 2.201 -6.219 -11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.717 -8.065 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.601 -6.718 -11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.653 -6.937 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.687 -7.644 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.542 -6.482 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.054 -5.992 -9.407 1.00 0.00 H new ATOM 1543 N HIS A 102 3.925 -2.051 -9.047 1.00 0.00 N ATOM 1544 CA HIS A 102 4.360 -0.625 -9.123 1.00 0.00 C ATOM 1545 C HIS A 102 5.515 -0.341 -8.155 1.00 0.00 C ATOM 1546 O HIS A 102 6.422 0.399 -8.471 1.00 0.00 O ATOM 1547 CB HIS A 102 3.177 0.293 -8.796 1.00 0.00 C ATOM 1548 CG HIS A 102 2.252 0.359 -9.980 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.391 1.320 -10.968 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.181 -0.411 -10.352 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.427 1.106 -11.880 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.660 0.061 -11.554 1.00 0.00 N ATOM 0 H HIS A 102 2.992 -2.200 -8.663 1.00 0.00 H new ATOM 0 HA HIS A 102 4.711 -0.431 -10.137 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.642 -0.082 -7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.536 1.291 -8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.799 -1.255 -9.797 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.289 1.705 -12.768 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.135 -0.311 -12.074 1.00 0.00 H new ATOM 1560 N LEU A 103 5.488 -0.884 -6.973 1.00 0.00 N ATOM 1561 CA LEU A 103 6.590 -0.581 -6.018 1.00 0.00 C ATOM 1562 C LEU A 103 7.941 -0.940 -6.638 1.00 0.00 C ATOM 1563 O LEU A 103 8.823 -0.114 -6.713 1.00 0.00 O ATOM 1564 CB LEU A 103 6.384 -1.382 -4.730 1.00 0.00 C ATOM 1565 CG LEU A 103 5.171 -0.834 -3.955 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.816 -1.802 -2.818 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.487 0.559 -3.365 1.00 0.00 C ATOM 0 H LEU A 103 4.764 -1.515 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 103 6.580 0.485 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.228 -2.434 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.278 -1.324 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 103 4.329 -0.740 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.958 -1.417 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.571 -2.779 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.667 -1.898 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.618 0.929 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.335 0.482 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.731 1.249 -4.172 1.00 0.00 H new ATOM 1579 N LYS A 104 8.123 -2.147 -7.095 1.00 0.00 N ATOM 1580 CA LYS A 104 9.440 -2.496 -7.704 1.00 0.00 C ATOM 1581 C LYS A 104 9.625 -1.765 -9.040 1.00 0.00 C ATOM 1582 O LYS A 104 10.730 -1.612 -9.521 1.00 0.00 O ATOM 1583 CB LYS A 104 9.552 -4.010 -7.915 1.00 0.00 C ATOM 1584 CG LYS A 104 8.431 -4.508 -8.828 1.00 0.00 C ATOM 1585 CD LYS A 104 8.583 -6.024 -9.015 1.00 0.00 C ATOM 1586 CE LYS A 104 7.471 -6.566 -9.922 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.946 -7.805 -10.600 1.00 0.00 N ATOM 0 H LYS A 104 7.432 -2.897 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 104 10.226 -2.179 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.520 -4.251 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.501 -4.522 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.459 -4.277 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.477 -4.002 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.557 -6.247 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.545 -6.522 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.578 -6.779 -9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.193 -5.816 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.193 -8.174 -11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.786 -7.587 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.190 -8.520 -9.885 1.00 0.00 H new ATOM 1601 N LYS A 105 8.559 -1.328 -9.657 1.00 0.00 N ATOM 1602 CA LYS A 105 8.698 -0.632 -10.972 1.00 0.00 C ATOM 1603 C LYS A 105 9.459 0.692 -10.813 1.00 0.00 C ATOM 1604 O LYS A 105 10.380 0.977 -11.553 1.00 0.00 O ATOM 1605 CB LYS A 105 7.312 -0.349 -11.553 1.00 0.00 C ATOM 1606 CG LYS A 105 7.458 0.156 -12.989 1.00 0.00 C ATOM 1607 CD LYS A 105 6.073 0.439 -13.573 1.00 0.00 C ATOM 1608 CE LYS A 105 6.212 0.834 -15.043 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.923 2.139 -15.140 1.00 0.00 N ATOM 0 H LYS A 105 7.604 -1.421 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 105 9.259 -1.280 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.706 -1.254 -11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.795 0.394 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.064 1.062 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.976 -0.587 -13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.440 -0.444 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.587 1.239 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.763 0.066 -15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.228 0.908 -15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.798 2.532 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.532 2.800 -14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.936 1.997 -14.954 1.00 0.00 H new ATOM 1623 N LEU A 106 9.087 1.505 -9.862 1.00 0.00 N ATOM 1624 CA LEU A 106 9.797 2.806 -9.672 1.00 0.00 C ATOM 1625 C LEU A 106 11.276 2.546 -9.360 1.00 0.00 C ATOM 1626 O LEU A 106 12.121 3.389 -9.589 1.00 0.00 O ATOM 1627 CB LEU A 106 9.154 3.592 -8.509 1.00 0.00 C ATOM 1628 CG LEU A 106 7.863 4.323 -8.956 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.207 5.620 -9.707 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.012 3.424 -9.863 1.00 0.00 C ATOM 0 H LEU A 106 8.324 1.327 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 106 9.717 3.392 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.921 2.908 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.868 4.319 -8.122 1.00 0.00 H new ATOM 0 HG LEU A 106 7.293 4.566 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.287 6.118 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.777 6.279 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.801 5.383 -10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.111 3.959 -10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.586 3.153 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.733 2.520 -9.321 1.00 0.00 H new ATOM 1642 N PHE A 107 11.600 1.400 -8.824 1.00 0.00 N ATOM 1643 CA PHE A 107 13.026 1.127 -8.485 1.00 0.00 C ATOM 1644 C PHE A 107 13.891 1.199 -9.745 1.00 0.00 C ATOM 1645 O PHE A 107 14.987 1.724 -9.718 1.00 0.00 O ATOM 1646 CB PHE A 107 13.167 -0.264 -7.866 1.00 0.00 C ATOM 1647 CG PHE A 107 14.622 -0.495 -7.539 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.175 0.091 -6.395 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.420 -1.282 -8.380 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.525 -0.107 -6.091 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.772 -1.481 -8.074 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.324 -0.892 -6.930 1.00 0.00 C ATOM 0 H PHE A 107 10.946 0.648 -8.608 1.00 0.00 H new ATOM 0 HA PHE A 107 13.357 1.880 -7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.559 -0.341 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.809 -1.025 -8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.559 0.696 -5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.993 -1.734 -9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.952 0.346 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.388 -2.088 -8.720 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.367 -1.044 -6.695 1.00 0.00 H new ATOM 1662 N ARG A 108 13.421 0.682 -10.846 1.00 0.00 N ATOM 1663 CA ARG A 108 14.242 0.736 -12.088 1.00 0.00 C ATOM 1664 C ARG A 108 14.474 2.197 -12.473 1.00 0.00 C ATOM 1665 O ARG A 108 15.433 2.528 -13.141 1.00 0.00 O ATOM 1666 CB ARG A 108 13.525 0.015 -13.244 1.00 0.00 C ATOM 1667 CG ARG A 108 13.500 -1.502 -12.997 1.00 0.00 C ATOM 1668 CD ARG A 108 13.298 -2.244 -14.323 1.00 0.00 C ATOM 1669 NE ARG A 108 12.294 -1.521 -15.172 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.084 -1.282 -14.749 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.665 -1.790 -13.624 1.00 0.00 N ATOM 1672 NH2 ARG A 108 10.270 -0.571 -15.481 1.00 0.00 N ATOM 0 H ARG A 108 12.512 0.228 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 108 15.194 0.239 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.506 0.391 -13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.033 0.228 -14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.433 -1.819 -12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.697 -1.753 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.247 -2.320 -14.854 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.958 -3.262 -14.131 1.00 0.00 H new ATOM 0 HE ARG A 108 12.565 -1.208 -16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.285 -2.379 -13.068 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.717 -1.599 -13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.581 -0.205 -16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.323 -0.382 -15.153 1.00 0.00 H new ATOM 1686 N GLU A 109 13.596 3.076 -12.069 1.00 0.00 N ATOM 1687 CA GLU A 109 13.760 4.515 -12.427 1.00 0.00 C ATOM 1688 C GLU A 109 14.624 5.224 -11.379 1.00 0.00 C ATOM 1689 O GLU A 109 15.105 6.318 -11.600 1.00 0.00 O ATOM 1690 CB GLU A 109 12.377 5.167 -12.486 1.00 0.00 C ATOM 1691 CG GLU A 109 11.604 4.601 -13.679 1.00 0.00 C ATOM 1692 CD GLU A 109 10.216 5.246 -13.750 1.00 0.00 C ATOM 1693 OE1 GLU A 109 9.857 5.942 -12.814 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.533 5.027 -14.737 1.00 0.00 O ATOM 0 H GLU A 109 12.773 2.860 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 109 14.252 4.598 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.832 4.977 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.475 6.248 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.151 4.791 -14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.508 3.520 -13.582 1.00 0.00 H new ATOM 1701 N GLY A 110 14.835 4.614 -10.244 1.00 0.00 N ATOM 1702 CA GLY A 110 15.679 5.264 -9.201 1.00 0.00 C ATOM 1703 C GLY A 110 15.002 6.548 -8.719 1.00 0.00 C ATOM 1704 O GLY A 110 15.497 7.227 -7.840 1.00 0.00 O ATOM 0 H GLY A 110 14.461 3.698 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.828 4.583 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.665 5.491 -9.606 1.00 0.00 H new ATOM 1708 N ARG A 111 13.873 6.891 -9.284 1.00 0.00 N ATOM 1709 CA ARG A 111 13.169 8.136 -8.852 1.00 0.00 C ATOM 1710 C ARG A 111 12.143 7.774 -7.784 1.00 0.00 C ATOM 1711 O ARG A 111 11.056 7.317 -8.079 1.00 0.00 O ATOM 1712 CB ARG A 111 12.453 8.771 -10.047 1.00 0.00 C ATOM 1713 CG ARG A 111 13.486 9.343 -11.020 1.00 0.00 C ATOM 1714 CD ARG A 111 12.764 9.982 -12.204 1.00 0.00 C ATOM 1715 NE ARG A 111 12.049 11.200 -11.734 1.00 0.00 N ATOM 1716 CZ ARG A 111 11.577 12.053 -12.597 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.688 11.815 -13.875 1.00 0.00 N ATOM 1718 NH2 ARG A 111 10.983 13.138 -12.182 1.00 0.00 N ATOM 0 H ARG A 111 13.409 6.364 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 111 13.893 8.846 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.836 8.027 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.784 9.561 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.107 10.083 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.151 8.553 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.478 10.242 -12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.058 9.276 -12.641 1.00 0.00 H new ATOM 0 HE ARG A 111 11.929 11.367 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.144 10.961 -14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.319 12.483 -14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.889 13.317 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.613 13.807 -12.857 1.00 0.00 H new ATOM 1732 N PHE A 112 12.490 7.965 -6.543 1.00 0.00 N ATOM 1733 CA PHE A 112 11.556 7.628 -5.433 1.00 0.00 C ATOM 1734 C PHE A 112 10.731 8.864 -5.066 1.00 0.00 C ATOM 1735 O PHE A 112 11.240 9.966 -5.006 1.00 0.00 O ATOM 1736 CB PHE A 112 12.388 7.171 -4.237 1.00 0.00 C ATOM 1737 CG PHE A 112 13.327 6.092 -4.714 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.884 4.770 -4.796 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.633 6.419 -5.099 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.746 3.771 -5.262 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.496 5.419 -5.563 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.052 4.096 -5.645 1.00 0.00 C ATOM 0 H PHE A 112 13.390 8.344 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 112 10.872 6.834 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.948 8.008 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.742 6.793 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.876 4.519 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.974 7.442 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.403 2.749 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.504 5.670 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.717 3.325 -6.004 1.00 0.00 H new ATOM 1752 N ASN A 113 9.462 8.692 -4.825 1.00 0.00 N ATOM 1753 CA ASN A 113 8.609 9.857 -4.465 1.00 0.00 C ATOM 1754 C ASN A 113 8.832 10.988 -5.470 1.00 0.00 C ATOM 1755 CB ASN A 113 8.977 10.341 -3.062 1.00 0.00 C ATOM 1756 CG ASN A 113 7.962 11.391 -2.608 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.288 12.556 -2.490 1.00 0.00 O ATOM 1758 ND2 ASN A 113 6.735 11.026 -2.356 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.711 11.800 -5.233 1.00 0.00 O ATOM 0 H ASN A 113 8.979 7.795 -4.862 1.00 0.00 H new ATOM 0 HA ASN A 113 7.561 9.559 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.986 9.502 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.981 10.765 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.048 11.719 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.463 10.048 -2.456 1.00 0.00 H new TER 1766 ASN A 113