USER MOD reduce.3.24.130724 H: found=0, std=0, add=1192, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1192 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: B 30 ASN : amide:sc= 1.5 K(o=2.7,f=-7.4!) USER MOD Set 1.2: B 35 LYS NZ :NH3+ 169:sc= 1.22 (180deg=-0.0385) USER MOD Set 2.1: B 4 MET CE :methyl 168:sc= -0.0444 (180deg=-0.277) USER MOD Set 2.2: B 6 ASN : amide:sc= 0.719 K(o=0.67,f=-0.044) USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.273 USER MOD Set 3.2: A 19 MET CE :methyl -163:sc= -0.0595 (180deg=-0.408) USER MOD Set 4.1: A 4 MET CE :methyl -179:sc= -0.452 (180deg=-0.429) USER MOD Set 4.2: A 6 ASN : amide:sc= -1.02 X(o=-1.5,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : +bothHN:sc= -0.0483 K(o=-0.048,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0345 (180deg=-0.284) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 0.0951 (180deg=-0.476!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.753 F(o=-1.8,f=-0.75) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 76:sc= 1.03 USER MOD Single : A 30 ASN : amide:sc= 0.0893 K(o=0.089,f=-7.7!) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00634) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 2.3 (180deg=2.07) USER MOD Single : A 39 GLN : amide:sc= -1.77! C(o=-1.8!,f=-4.2!) USER MOD Single : A 44 THR OG1 : rot 44:sc= 0.722 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -6.29! C(o=-7.2!,f=-6.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.593 F(o=-1.7,f=-0.59) USER MOD Single : A 64 MET CE :methyl -176:sc= -0.589 (180deg=-0.641) USER MOD Single : A 66 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.17) USER MOD Single : A 67 ASN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0256 K(o=-0.026,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ -147:sc= 1.21 (180deg=0.712) USER MOD Single : B 1 GLY N :NH3+ -134:sc= 0.0372 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc=-0.00932 USER MOD Single : B 3 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.1) USER MOD Single : B 9 LYS NZ :NH3+ 162:sc= -0.0937 (180deg=-0.532) USER MOD Single : B 15 CYS SG : rot 7:sc= 0.206 USER MOD Single : B 19 MET CE :methyl -149:sc= -1.51 (180deg=-2.72) USER MOD Single : B 20 LYS NZ :NH3+ -131:sc= -0.409 (180deg=-1.69!) USER MOD Single : B 21 GLN :FLIP amide:sc= -0.255 F(o=-0.81,f=-0.25) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -72:sc= 0.873 USER MOD Single : B 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : B 39 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.7!) USER MOD Single : B 44 THR OG1 : rot 95:sc= 1.26 USER MOD Single : B 45 HIS : no HD1:sc= -5.75! C(o=-5.7!,f=-7.3!) USER MOD Single : B 54 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.4!) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.586 F(o=-6.5!,f=-0.59) USER MOD Single : B 64 MET CE :methyl -122:sc= 0 (180deg=-1.09) USER MOD Single : B 66 GLN : amide:sc= 1.05 K(o=1.1,f=-0.2) USER MOD Single : B 67 ASN : amide:sc= -0.737 X(o=-0.74,f=-0.38) USER MOD Single : B 70 SER OG : rot 180:sc= -0.115 USER MOD Single : B 72 THR OG1 : rot -28:sc= 0.39 USER MOD Single : B 73 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : B 74 LYS NZ :NH3+ -178:sc= 0.629 (180deg=0.532) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.015 -18.742 3.391 1.00 0.00 N ATOM 2 CA GLY A 1 -9.635 -18.005 4.485 1.00 0.00 C ATOM 3 C GLY A 1 -8.593 -17.463 5.430 1.00 0.00 C ATOM 4 O GLY A 1 -8.703 -17.625 6.650 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.753 -19.190 2.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.462 -18.088 2.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.387 -19.475 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.230 -17.184 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.318 -18.659 5.027 1.00 0.00 H new ATOM 10 N SER A 2 -7.572 -16.849 4.880 1.00 0.00 N ATOM 11 CA SER A 2 -6.503 -16.299 5.648 1.00 0.00 C ATOM 12 C SER A 2 -6.122 -14.972 5.022 1.00 0.00 C ATOM 13 O SER A 2 -5.646 -14.920 3.887 1.00 0.00 O ATOM 14 CB SER A 2 -5.304 -17.271 5.662 1.00 0.00 C ATOM 15 OG SER A 2 -4.262 -16.842 6.554 1.00 0.00 O ATOM 0 H SER A 2 -7.468 -16.721 3.873 1.00 0.00 H new ATOM 0 HA SER A 2 -6.809 -16.145 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.647 -18.262 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.901 -17.361 4.653 1.00 0.00 H new ATOM 0 HG SER A 2 -3.525 -17.488 6.531 1.00 0.00 H new ATOM 21 N HIS A 3 -6.396 -13.916 5.728 1.00 0.00 N ATOM 22 CA HIS A 3 -6.109 -12.575 5.288 1.00 0.00 C ATOM 23 C HIS A 3 -6.026 -11.678 6.501 1.00 0.00 C ATOM 24 O HIS A 3 -6.045 -12.157 7.632 1.00 0.00 O ATOM 25 CB HIS A 3 -7.194 -12.045 4.285 1.00 0.00 C ATOM 26 CG HIS A 3 -8.624 -12.013 4.795 1.00 0.00 C ATOM 27 ND1 HIS A 3 -9.161 -10.951 5.477 1.00 0.00 N ATOM 28 CD2 HIS A 3 -9.629 -12.923 4.687 1.00 0.00 C ATOM 29 CE1 HIS A 3 -10.417 -11.209 5.774 1.00 0.00 C ATOM 30 NE2 HIS A 3 -10.735 -12.389 5.305 1.00 0.00 N ATOM 0 H HIS A 3 -6.835 -13.959 6.648 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.159 -12.575 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.916 -11.035 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.164 -12.666 3.389 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -8.664 -10.093 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.569 -13.887 4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.080 -10.552 6.318 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.648 -12.836 5.385 1.00 0.00 H new ATOM 39 N MET A 4 -5.904 -10.412 6.269 1.00 0.00 N ATOM 40 CA MET A 4 -5.933 -9.412 7.306 1.00 0.00 C ATOM 41 C MET A 4 -6.831 -8.330 6.823 1.00 0.00 C ATOM 42 O MET A 4 -7.505 -8.512 5.804 1.00 0.00 O ATOM 43 CB MET A 4 -4.524 -8.844 7.615 1.00 0.00 C ATOM 44 CG MET A 4 -3.581 -9.833 8.285 1.00 0.00 C ATOM 45 SD MET A 4 -1.986 -9.111 8.751 1.00 0.00 S ATOM 46 CE MET A 4 -1.352 -8.611 7.155 1.00 0.00 C ATOM 0 H MET A 4 -5.778 -10.027 5.333 1.00 0.00 H new ATOM 0 HA MET A 4 -6.291 -9.853 8.237 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.071 -8.502 6.684 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.631 -7.970 8.257 1.00 0.00 H new ATOM 0 HG2 MET A 4 -4.063 -10.235 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.408 -10.671 7.610 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.365 -8.165 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.277 -9.482 6.504 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.027 -7.881 6.708 1.00 0.00 H new ATOM 56 N VAL A 5 -6.901 -7.267 7.544 1.00 0.00 N ATOM 57 CA VAL A 5 -7.596 -6.092 7.124 1.00 0.00 C ATOM 58 C VAL A 5 -6.652 -4.947 7.334 1.00 0.00 C ATOM 59 O VAL A 5 -6.398 -4.541 8.474 1.00 0.00 O ATOM 60 CB VAL A 5 -8.904 -5.810 7.904 1.00 0.00 C ATOM 61 CG1 VAL A 5 -9.548 -4.553 7.341 1.00 0.00 C ATOM 62 CG2 VAL A 5 -9.874 -6.990 7.830 1.00 0.00 C ATOM 0 H VAL A 5 -6.468 -7.184 8.464 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.897 -6.229 6.085 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.661 -5.665 8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.471 -4.343 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.863 -3.712 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.772 -4.701 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.779 -6.753 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.132 -7.185 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.404 -7.875 8.259 1.00 0.00 H new ATOM 72 N ASN A 6 -6.112 -4.451 6.267 1.00 0.00 N ATOM 73 CA ASN A 6 -5.104 -3.415 6.339 1.00 0.00 C ATOM 74 C ASN A 6 -5.290 -2.428 5.231 1.00 0.00 C ATOM 75 O ASN A 6 -4.981 -2.699 4.075 1.00 0.00 O ATOM 76 CB ASN A 6 -3.669 -3.995 6.275 1.00 0.00 C ATOM 77 CG ASN A 6 -3.141 -4.625 7.565 1.00 0.00 C ATOM 78 OD1 ASN A 6 -2.345 -5.558 7.525 1.00 0.00 O ATOM 79 ND2 ASN A 6 -3.538 -4.119 8.707 1.00 0.00 N ATOM 0 H ASN A 6 -6.349 -4.744 5.319 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.226 -2.917 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.638 -4.748 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.989 -3.196 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.185 -4.501 9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.200 -3.343 8.718 1.00 0.00 H new ATOM 86 N VAL A 7 -5.879 -1.339 5.554 1.00 0.00 N ATOM 87 CA VAL A 7 -6.009 -0.258 4.638 1.00 0.00 C ATOM 88 C VAL A 7 -5.269 0.954 5.209 1.00 0.00 C ATOM 89 O VAL A 7 -5.447 1.286 6.390 1.00 0.00 O ATOM 90 CB VAL A 7 -7.513 0.050 4.305 1.00 0.00 C ATOM 91 CG1 VAL A 7 -8.349 0.223 5.569 1.00 0.00 C ATOM 92 CG2 VAL A 7 -7.657 1.279 3.418 1.00 0.00 C ATOM 0 H VAL A 7 -6.291 -1.165 6.471 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.556 -0.528 3.684 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.889 -0.815 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.383 0.435 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.310 -0.693 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.953 1.051 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.712 1.457 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.235 2.146 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.126 1.115 2.480 1.00 0.00 H new ATOM 102 N LEU A 8 -4.424 1.572 4.416 1.00 0.00 N ATOM 103 CA LEU A 8 -3.656 2.714 4.878 1.00 0.00 C ATOM 104 C LEU A 8 -3.151 3.552 3.713 1.00 0.00 C ATOM 105 O LEU A 8 -3.202 3.122 2.554 1.00 0.00 O ATOM 106 CB LEU A 8 -2.499 2.321 5.850 1.00 0.00 C ATOM 107 CG LEU A 8 -1.353 1.453 5.325 1.00 0.00 C ATOM 108 CD1 LEU A 8 -0.296 1.313 6.392 1.00 0.00 C ATOM 109 CD2 LEU A 8 -1.819 0.077 4.892 1.00 0.00 C ATOM 0 H LEU A 8 -4.248 1.306 3.447 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.342 3.329 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.064 3.244 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.944 1.801 6.698 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.944 1.951 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.520 0.695 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.087 2.299 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.730 0.844 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.967 -0.498 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.269 -0.439 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.556 0.177 4.096 1.00 0.00 H new ATOM 121 N LYS A 9 -2.649 4.719 4.034 1.00 0.00 N ATOM 122 CA LYS A 9 -2.250 5.715 3.062 1.00 0.00 C ATOM 123 C LYS A 9 -0.723 5.777 2.964 1.00 0.00 C ATOM 124 O LYS A 9 -0.026 5.753 3.985 1.00 0.00 O ATOM 125 CB LYS A 9 -2.854 7.052 3.538 1.00 0.00 C ATOM 126 CG LYS A 9 -2.799 8.260 2.585 1.00 0.00 C ATOM 127 CD LYS A 9 -1.414 8.873 2.448 1.00 0.00 C ATOM 128 CE LYS A 9 -1.445 10.100 1.554 1.00 0.00 C ATOM 129 NZ LYS A 9 -2.270 11.190 2.127 1.00 0.00 N ATOM 0 H LYS A 9 -2.502 5.012 5.000 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.610 5.475 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.900 6.874 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.349 7.334 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.147 7.950 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.490 9.024 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.035 9.146 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.726 8.136 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.428 10.460 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.839 9.825 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.052 12.083 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.278 10.965 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.060 11.288 3.141 1.00 0.00 H new ATOM 143 N GLY A 10 -0.213 5.861 1.743 1.00 0.00 N ATOM 144 CA GLY A 10 1.205 5.925 1.536 1.00 0.00 C ATOM 145 C GLY A 10 1.585 5.717 0.078 1.00 0.00 C ATOM 146 O GLY A 10 0.966 6.294 -0.829 1.00 0.00 O ATOM 0 H GLY A 10 -0.770 5.886 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.576 6.894 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.694 5.167 2.148 1.00 0.00 H new ATOM 150 N VAL A 11 2.589 4.903 -0.131 1.00 0.00 N ATOM 151 CA VAL A 11 3.103 4.566 -1.430 1.00 0.00 C ATOM 152 C VAL A 11 3.195 3.045 -1.537 1.00 0.00 C ATOM 153 O VAL A 11 3.618 2.361 -0.599 1.00 0.00 O ATOM 154 CB VAL A 11 4.527 5.175 -1.688 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.031 4.858 -3.086 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.540 6.665 -1.471 1.00 0.00 C ATOM 0 H VAL A 11 3.088 4.441 0.629 1.00 0.00 H new ATOM 0 HA VAL A 11 2.425 4.982 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 11 5.197 4.710 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.019 5.297 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.093 3.777 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.343 5.272 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.542 7.051 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.835 7.138 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.253 6.885 -0.443 1.00 0.00 H new ATOM 166 N LEU A 12 2.798 2.564 -2.655 1.00 0.00 N ATOM 167 CA LEU A 12 2.806 1.175 -3.025 1.00 0.00 C ATOM 168 C LEU A 12 4.071 0.921 -3.815 1.00 0.00 C ATOM 169 O LEU A 12 4.349 1.661 -4.720 1.00 0.00 O ATOM 170 CB LEU A 12 1.582 0.950 -3.943 1.00 0.00 C ATOM 171 CG LEU A 12 1.584 -0.294 -4.825 1.00 0.00 C ATOM 172 CD1 LEU A 12 1.678 -1.569 -4.004 1.00 0.00 C ATOM 173 CD2 LEU A 12 0.352 -0.319 -5.700 1.00 0.00 C ATOM 0 H LEU A 12 2.431 3.161 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 12 2.767 0.516 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.692 0.916 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.482 1.821 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 12 2.470 -0.247 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.676 -2.432 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.600 -1.561 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.825 -1.631 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.367 -1.213 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.539 -0.329 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.339 0.567 -6.335 1.00 0.00 H new ATOM 185 N ILE A 13 4.840 -0.083 -3.460 1.00 0.00 N ATOM 186 CA ILE A 13 6.052 -0.386 -4.204 1.00 0.00 C ATOM 187 C ILE A 13 6.249 -1.886 -4.450 1.00 0.00 C ATOM 188 O ILE A 13 6.048 -2.712 -3.549 1.00 0.00 O ATOM 189 CB ILE A 13 7.318 0.310 -3.579 1.00 0.00 C ATOM 190 CG1 ILE A 13 8.627 -0.144 -4.238 1.00 0.00 C ATOM 191 CG2 ILE A 13 7.377 0.130 -2.075 1.00 0.00 C ATOM 192 CD1 ILE A 13 9.817 0.720 -3.882 1.00 0.00 C ATOM 0 H ILE A 13 4.655 -0.701 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 13 5.921 0.049 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 13 7.209 1.375 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.835 -1.173 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.499 -0.142 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.266 0.625 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.488 0.568 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.420 -0.933 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.706 0.339 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.631 1.745 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.972 0.699 -2.803 1.00 0.00 H new ATOM 204 N GLU A 14 6.526 -2.234 -5.705 1.00 0.00 N ATOM 205 CA GLU A 14 6.868 -3.593 -6.083 1.00 0.00 C ATOM 206 C GLU A 14 7.969 -3.553 -7.123 1.00 0.00 C ATOM 207 O GLU A 14 8.097 -2.559 -7.868 1.00 0.00 O ATOM 208 CB GLU A 14 5.697 -4.368 -6.688 1.00 0.00 C ATOM 209 CG GLU A 14 5.325 -3.942 -8.102 1.00 0.00 C ATOM 210 CD GLU A 14 4.323 -4.840 -8.760 1.00 0.00 C ATOM 211 OE1 GLU A 14 4.553 -6.054 -8.818 1.00 0.00 O ATOM 212 OE2 GLU A 14 3.274 -4.344 -9.203 1.00 0.00 O ATOM 0 H GLU A 14 6.518 -1.577 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 14 7.174 -4.101 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.944 -5.430 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.826 -4.248 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.926 -2.928 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.228 -3.912 -8.712 1.00 0.00 H new ATOM 219 N CYS A 15 8.710 -4.616 -7.176 1.00 0.00 N ATOM 220 CA CYS A 15 9.777 -4.828 -8.110 1.00 0.00 C ATOM 221 C CYS A 15 9.985 -6.325 -8.077 1.00 0.00 C ATOM 222 O CYS A 15 9.056 -7.050 -7.713 1.00 0.00 O ATOM 223 CB CYS A 15 11.035 -4.124 -7.600 1.00 0.00 C ATOM 224 SG CYS A 15 12.412 -3.992 -8.785 1.00 0.00 S ATOM 0 H CYS A 15 8.582 -5.401 -6.537 1.00 0.00 H new ATOM 0 HA CYS A 15 9.563 -4.449 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.760 -3.119 -7.279 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.391 -4.654 -6.717 1.00 0.00 H new ATOM 0 HG CYS A 15 13.409 -3.374 -8.225 1.00 0.00 H new ATOM 230 N ASP A 16 11.145 -6.790 -8.453 1.00 0.00 N ATOM 231 CA ASP A 16 11.495 -8.181 -8.238 1.00 0.00 C ATOM 232 C ASP A 16 11.724 -8.333 -6.733 1.00 0.00 C ATOM 233 O ASP A 16 12.166 -7.361 -6.085 1.00 0.00 O ATOM 234 CB ASP A 16 12.791 -8.534 -8.997 1.00 0.00 C ATOM 235 CG ASP A 16 13.228 -9.986 -8.810 1.00 0.00 C ATOM 236 OD1 ASP A 16 13.970 -10.290 -7.839 1.00 0.00 O ATOM 237 OD2 ASP A 16 12.840 -10.842 -9.630 1.00 0.00 O ATOM 0 H ASP A 16 11.868 -6.233 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 16 10.709 -8.844 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.645 -8.340 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.591 -7.875 -8.660 1.00 0.00 H new ATOM 242 N PRO A 17 11.413 -9.504 -6.126 1.00 0.00 N ATOM 243 CA PRO A 17 11.619 -9.754 -4.677 1.00 0.00 C ATOM 244 C PRO A 17 13.051 -9.461 -4.166 1.00 0.00 C ATOM 245 O PRO A 17 13.289 -9.432 -2.951 1.00 0.00 O ATOM 246 CB PRO A 17 11.265 -11.222 -4.526 1.00 0.00 C ATOM 247 CG PRO A 17 10.257 -11.431 -5.594 1.00 0.00 C ATOM 248 CD PRO A 17 10.770 -10.669 -6.767 1.00 0.00 C ATOM 0 HA PRO A 17 11.009 -9.081 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.136 -11.864 -4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.859 -11.440 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.146 -12.489 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.276 -11.068 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.479 -11.253 -7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.967 -10.371 -7.441 1.00 0.00 H new ATOM 256 N ALA A 18 13.979 -9.252 -5.089 1.00 0.00 N ATOM 257 CA ALA A 18 15.329 -8.799 -4.790 1.00 0.00 C ATOM 258 C ALA A 18 15.262 -7.494 -3.983 1.00 0.00 C ATOM 259 O ALA A 18 15.901 -7.353 -2.922 1.00 0.00 O ATOM 260 CB ALA A 18 16.023 -8.531 -6.095 1.00 0.00 C ATOM 0 H ALA A 18 13.811 -9.395 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 18 15.865 -9.553 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.040 -8.189 -5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.054 -9.447 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.480 -7.763 -6.645 1.00 0.00 H new ATOM 266 N MET A 19 14.418 -6.577 -4.461 1.00 0.00 N ATOM 267 CA MET A 19 14.188 -5.302 -3.800 1.00 0.00 C ATOM 268 C MET A 19 13.628 -5.522 -2.439 1.00 0.00 C ATOM 269 O MET A 19 14.041 -4.899 -1.460 1.00 0.00 O ATOM 270 CB MET A 19 13.202 -4.451 -4.602 1.00 0.00 C ATOM 271 CG MET A 19 12.456 -3.427 -3.744 1.00 0.00 C ATOM 272 SD MET A 19 11.376 -2.346 -4.693 1.00 0.00 S ATOM 273 CE MET A 19 12.569 -1.417 -5.668 1.00 0.00 C ATOM 0 H MET A 19 13.878 -6.703 -5.317 1.00 0.00 H new ATOM 0 HA MET A 19 15.144 -4.783 -3.729 1.00 0.00 H new ATOM 0 HB2 MET A 19 13.741 -3.929 -5.393 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.478 -5.105 -5.088 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.863 -3.954 -2.996 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.182 -2.819 -3.204 1.00 0.00 H new ATOM 0 HE1 MET A 19 12.093 -0.522 -6.069 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.409 -1.129 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.928 -2.036 -6.490 1.00 0.00 H new ATOM 283 N LYS A 20 12.714 -6.433 -2.388 1.00 0.00 N ATOM 284 CA LYS A 20 12.039 -6.781 -1.200 1.00 0.00 C ATOM 285 C LYS A 20 13.037 -7.213 -0.121 1.00 0.00 C ATOM 286 O LYS A 20 12.958 -6.749 1.020 1.00 0.00 O ATOM 287 CB LYS A 20 10.974 -7.838 -1.544 1.00 0.00 C ATOM 288 CG LYS A 20 10.299 -8.558 -0.399 1.00 0.00 C ATOM 289 CD LYS A 20 9.693 -7.633 0.630 1.00 0.00 C ATOM 290 CE LYS A 20 10.436 -7.754 1.942 1.00 0.00 C ATOM 291 NZ LYS A 20 10.012 -6.722 2.896 1.00 0.00 N ATOM 0 H LYS A 20 12.413 -6.968 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 20 11.519 -5.925 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.199 -7.352 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.441 -8.588 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.517 -9.204 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.027 -9.205 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.734 -6.604 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.641 -7.878 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.262 -8.741 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.508 -7.668 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.836 -6.388 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.590 -5.924 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.309 -7.122 3.550 1.00 0.00 H new ATOM 305 N GLN A 21 14.015 -7.992 -0.494 1.00 0.00 N ATOM 306 CA GLN A 21 14.981 -8.462 0.465 1.00 0.00 C ATOM 307 C GLN A 21 15.837 -7.330 1.020 1.00 0.00 C ATOM 308 O GLN A 21 16.148 -7.322 2.211 1.00 0.00 O ATOM 309 CB GLN A 21 15.816 -9.582 -0.089 1.00 0.00 C ATOM 310 CG GLN A 21 14.987 -10.765 -0.546 1.00 0.00 C ATOM 311 CD GLN A 21 14.028 -11.286 0.497 1.00 0.00 C ATOM 312 OE1 GLN A 21 12.803 -10.874 0.408 1.00 0.00 O flip ATOM 313 NE2 GLN A 21 14.382 -12.126 1.322 1.00 0.00 N flip ATOM 0 H GLN A 21 14.165 -8.314 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 21 14.420 -8.869 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.403 -9.210 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.523 -9.912 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.422 -10.478 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.657 -11.572 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.357 -12.424 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.701 -12.525 1.968 1.00 0.00 H new ATOM 322 N PHE A 22 16.192 -6.351 0.190 1.00 0.00 N ATOM 323 CA PHE A 22 16.912 -5.215 0.738 1.00 0.00 C ATOM 324 C PHE A 22 16.024 -4.386 1.667 1.00 0.00 C ATOM 325 O PHE A 22 16.493 -3.869 2.656 1.00 0.00 O ATOM 326 CB PHE A 22 17.747 -4.357 -0.268 1.00 0.00 C ATOM 327 CG PHE A 22 17.025 -3.506 -1.291 1.00 0.00 C ATOM 328 CD1 PHE A 22 16.325 -2.368 -0.914 1.00 0.00 C ATOM 329 CD2 PHE A 22 17.116 -3.804 -2.635 1.00 0.00 C ATOM 330 CE1 PHE A 22 15.726 -1.559 -1.858 1.00 0.00 C ATOM 331 CE2 PHE A 22 16.512 -3.001 -3.584 1.00 0.00 C ATOM 332 CZ PHE A 22 15.819 -1.877 -3.194 1.00 0.00 C ATOM 0 H PHE A 22 16.004 -6.321 -0.812 1.00 0.00 H new ATOM 0 HA PHE A 22 17.702 -5.664 1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.386 -3.695 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.404 -5.036 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 22 16.248 -2.112 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 22 17.667 -4.678 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 22 15.185 -0.677 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 22 16.584 -3.255 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 22 15.350 -1.246 -3.935 1.00 0.00 H new ATOM 342 N LEU A 23 14.722 -4.297 1.347 1.00 0.00 N ATOM 343 CA LEU A 23 13.760 -3.545 2.178 1.00 0.00 C ATOM 344 C LEU A 23 13.691 -4.109 3.558 1.00 0.00 C ATOM 345 O LEU A 23 13.754 -3.378 4.522 1.00 0.00 O ATOM 346 CB LEU A 23 12.355 -3.557 1.576 1.00 0.00 C ATOM 347 CG LEU A 23 12.237 -3.030 0.164 1.00 0.00 C ATOM 348 CD1 LEU A 23 10.849 -3.243 -0.372 1.00 0.00 C ATOM 349 CD2 LEU A 23 12.631 -1.568 0.054 1.00 0.00 C ATOM 0 H LEU A 23 14.310 -4.734 0.522 1.00 0.00 H new ATOM 0 HA LEU A 23 14.121 -2.517 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.982 -4.581 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.700 -2.968 2.219 1.00 0.00 H new ATOM 0 HG LEU A 23 12.941 -3.598 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.788 -2.856 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.620 -4.309 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.131 -2.719 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.528 -1.240 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.982 -0.967 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.666 -1.445 0.372 1.00 0.00 H new ATOM 361 N LEU A 24 13.601 -5.409 3.659 1.00 0.00 N ATOM 362 CA LEU A 24 13.495 -6.015 4.958 1.00 0.00 C ATOM 363 C LEU A 24 14.784 -5.837 5.764 1.00 0.00 C ATOM 364 O LEU A 24 14.742 -5.474 6.927 1.00 0.00 O ATOM 365 CB LEU A 24 12.997 -7.473 4.866 1.00 0.00 C ATOM 366 CG LEU A 24 13.786 -8.456 4.008 1.00 0.00 C ATOM 367 CD1 LEU A 24 14.951 -9.034 4.732 1.00 0.00 C ATOM 368 CD2 LEU A 24 12.901 -9.539 3.509 1.00 0.00 C ATOM 0 H LEU A 24 13.599 -6.058 2.872 1.00 0.00 H new ATOM 0 HA LEU A 24 12.727 -5.488 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.956 -7.874 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.974 -7.451 4.490 1.00 0.00 H new ATOM 0 HG LEU A 24 14.179 -7.894 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.479 -9.727 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.626 -8.233 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.602 -9.566 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.481 -10.231 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.470 -10.075 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.101 -9.107 2.907 1.00 0.00 H new ATOM 380 N TYR A 25 15.922 -5.997 5.100 1.00 0.00 N ATOM 381 CA TYR A 25 17.213 -5.848 5.752 1.00 0.00 C ATOM 382 C TYR A 25 17.461 -4.405 6.181 1.00 0.00 C ATOM 383 O TYR A 25 17.970 -4.141 7.288 1.00 0.00 O ATOM 384 CB TYR A 25 18.351 -6.324 4.835 1.00 0.00 C ATOM 385 CG TYR A 25 19.729 -6.056 5.413 1.00 0.00 C ATOM 386 CD1 TYR A 25 20.153 -6.709 6.556 1.00 0.00 C ATOM 387 CD2 TYR A 25 20.579 -5.113 4.841 1.00 0.00 C ATOM 388 CE1 TYR A 25 21.381 -6.446 7.113 1.00 0.00 C ATOM 389 CE2 TYR A 25 21.813 -4.839 5.397 1.00 0.00 C ATOM 390 CZ TYR A 25 22.209 -5.510 6.534 1.00 0.00 C ATOM 391 OH TYR A 25 23.435 -5.236 7.105 1.00 0.00 O ATOM 0 H TYR A 25 15.975 -6.230 4.108 1.00 0.00 H new ATOM 0 HA TYR A 25 17.195 -6.472 6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.241 -7.393 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.265 -5.826 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.507 -7.440 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.269 -4.588 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.696 -6.972 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 25 22.463 -4.105 4.944 1.00 0.00 H new ATOM 0 HH TYR A 25 23.898 -4.554 6.575 1.00 0.00 H new ATOM 401 N LEU A 26 17.103 -3.481 5.322 1.00 0.00 N ATOM 402 CA LEU A 26 17.334 -2.081 5.571 1.00 0.00 C ATOM 403 C LEU A 26 16.409 -1.626 6.683 1.00 0.00 C ATOM 404 O LEU A 26 16.791 -0.819 7.505 1.00 0.00 O ATOM 405 CB LEU A 26 17.128 -1.251 4.275 1.00 0.00 C ATOM 406 CG LEU A 26 17.896 0.088 4.115 1.00 0.00 C ATOM 407 CD1 LEU A 26 17.529 1.125 5.165 1.00 0.00 C ATOM 408 CD2 LEU A 26 19.389 -0.156 4.089 1.00 0.00 C ATOM 0 H LEU A 26 16.644 -3.679 4.433 1.00 0.00 H new ATOM 0 HA LEU A 26 18.366 -1.924 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 26 17.393 -1.887 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.063 -1.033 4.188 1.00 0.00 H new ATOM 0 HG LEU A 26 17.587 0.510 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.103 2.036 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.464 1.349 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.756 0.735 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.911 0.794 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.696 -0.631 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.637 -0.808 3.251 1.00 0.00 H new ATOM 420 N ASP A 27 15.221 -2.195 6.732 1.00 0.00 N ATOM 421 CA ASP A 27 14.257 -1.857 7.769 1.00 0.00 C ATOM 422 C ASP A 27 14.762 -2.331 9.126 1.00 0.00 C ATOM 423 O ASP A 27 14.566 -1.660 10.145 1.00 0.00 O ATOM 424 CB ASP A 27 12.892 -2.467 7.462 1.00 0.00 C ATOM 425 CG ASP A 27 11.800 -1.942 8.366 1.00 0.00 C ATOM 426 OD1 ASP A 27 11.199 -0.900 8.051 1.00 0.00 O ATOM 427 OD2 ASP A 27 11.510 -2.583 9.413 1.00 0.00 O ATOM 0 H ASP A 27 14.896 -2.896 6.066 1.00 0.00 H new ATOM 0 HA ASP A 27 14.143 -0.773 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.631 -2.258 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.952 -3.551 7.564 1.00 0.00 H new ATOM 432 N GLU A 28 15.438 -3.485 9.135 1.00 0.00 N ATOM 433 CA GLU A 28 16.011 -4.024 10.366 1.00 0.00 C ATOM 434 C GLU A 28 17.209 -3.208 10.812 1.00 0.00 C ATOM 435 O GLU A 28 17.317 -2.846 11.980 1.00 0.00 O ATOM 436 CB GLU A 28 16.479 -5.459 10.165 1.00 0.00 C ATOM 437 CG GLU A 28 15.397 -6.428 9.791 1.00 0.00 C ATOM 438 CD GLU A 28 15.926 -7.825 9.610 1.00 0.00 C ATOM 439 OE1 GLU A 28 16.714 -8.289 10.462 1.00 0.00 O ATOM 440 OE2 GLU A 28 15.554 -8.501 8.632 1.00 0.00 O ATOM 0 H GLU A 28 15.599 -4.058 8.307 1.00 0.00 H new ATOM 0 HA GLU A 28 15.227 -3.985 11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 17.243 -5.471 9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.954 -5.803 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.629 -6.429 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.920 -6.099 8.868 1.00 0.00 H new ATOM 447 N SER A 29 18.073 -2.882 9.869 1.00 0.00 N ATOM 448 CA SER A 29 19.289 -2.137 10.158 1.00 0.00 C ATOM 449 C SER A 29 18.912 -0.716 10.559 1.00 0.00 C ATOM 450 O SER A 29 19.365 -0.196 11.582 1.00 0.00 O ATOM 451 CB SER A 29 20.186 -2.153 8.928 1.00 0.00 C ATOM 452 OG SER A 29 20.416 -3.492 8.501 1.00 0.00 O ATOM 0 H SER A 29 17.955 -3.124 8.885 1.00 0.00 H new ATOM 0 HA SER A 29 19.837 -2.592 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.722 -1.582 8.124 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.136 -1.669 9.156 1.00 0.00 H new ATOM 0 HG SER A 29 19.620 -3.830 8.040 1.00 0.00 H new ATOM 458 N ASN A 30 18.054 -0.140 9.750 1.00 0.00 N ATOM 459 CA ASN A 30 17.405 1.128 9.982 1.00 0.00 C ATOM 460 C ASN A 30 18.375 2.292 10.209 1.00 0.00 C ATOM 461 O ASN A 30 18.466 2.851 11.300 1.00 0.00 O ATOM 462 CB ASN A 30 16.379 0.992 11.117 1.00 0.00 C ATOM 463 CG ASN A 30 15.544 2.222 11.329 1.00 0.00 C ATOM 464 OD1 ASN A 30 15.279 2.972 10.394 1.00 0.00 O ATOM 465 ND2 ASN A 30 15.147 2.448 12.554 1.00 0.00 N ATOM 0 H ASN A 30 17.776 -0.566 8.866 1.00 0.00 H new ATOM 0 HA ASN A 30 16.880 1.390 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.721 0.150 10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.904 0.756 12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.592 3.277 12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.392 1.795 13.298 1.00 0.00 H new ATOM 472 N ALA A 31 19.148 2.612 9.189 1.00 0.00 N ATOM 473 CA ALA A 31 20.024 3.784 9.229 1.00 0.00 C ATOM 474 C ALA A 31 19.206 5.062 9.192 1.00 0.00 C ATOM 475 O ALA A 31 19.621 6.103 9.682 1.00 0.00 O ATOM 476 CB ALA A 31 21.020 3.770 8.082 1.00 0.00 C ATOM 0 H ALA A 31 19.193 2.081 8.319 1.00 0.00 H new ATOM 0 HA ALA A 31 20.583 3.747 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 21.655 4.654 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 31 21.638 2.874 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 20.483 3.772 7.134 1.00 0.00 H new ATOM 482 N LEU A 32 18.019 4.950 8.659 1.00 0.00 N ATOM 483 CA LEU A 32 17.165 6.091 8.408 1.00 0.00 C ATOM 484 C LEU A 32 16.410 6.507 9.667 1.00 0.00 C ATOM 485 O LEU A 32 15.910 7.637 9.751 1.00 0.00 O ATOM 486 CB LEU A 32 16.174 5.710 7.313 1.00 0.00 C ATOM 487 CG LEU A 32 16.795 5.239 5.994 1.00 0.00 C ATOM 488 CD1 LEU A 32 15.744 4.599 5.126 1.00 0.00 C ATOM 489 CD2 LEU A 32 17.451 6.396 5.252 1.00 0.00 C ATOM 0 H LEU A 32 17.609 4.058 8.382 1.00 0.00 H new ATOM 0 HA LEU A 32 17.778 6.937 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.527 4.919 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.538 6.571 7.108 1.00 0.00 H new ATOM 0 HG LEU A 32 17.565 4.504 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.196 4.268 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.316 3.742 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.958 5.323 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.883 6.032 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.703 7.158 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.237 6.827 5.872 1.00 0.00 H new ATOM 501 N GLY A 33 16.337 5.601 10.634 1.00 0.00 N ATOM 502 CA GLY A 33 15.652 5.861 11.891 1.00 0.00 C ATOM 503 C GLY A 33 14.143 5.920 11.719 1.00 0.00 C ATOM 504 O GLY A 33 13.437 6.510 12.538 1.00 0.00 O ATOM 0 H GLY A 33 16.749 4.670 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.904 5.080 12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.006 6.804 12.308 1.00 0.00 H new ATOM 508 N LYS A 34 13.655 5.311 10.654 1.00 0.00 N ATOM 509 CA LYS A 34 12.252 5.336 10.312 1.00 0.00 C ATOM 510 C LYS A 34 11.826 3.969 9.796 1.00 0.00 C ATOM 511 O LYS A 34 12.606 3.282 9.135 1.00 0.00 O ATOM 512 CB LYS A 34 11.973 6.377 9.210 1.00 0.00 C ATOM 513 CG LYS A 34 12.302 7.834 9.551 1.00 0.00 C ATOM 514 CD LYS A 34 12.083 8.732 8.334 1.00 0.00 C ATOM 515 CE LYS A 34 12.393 10.206 8.615 1.00 0.00 C ATOM 516 NZ LYS A 34 11.459 10.822 9.588 1.00 0.00 N ATOM 0 H LYS A 34 14.230 4.781 9.999 1.00 0.00 H new ATOM 0 HA LYS A 34 11.692 5.600 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.542 6.097 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.918 6.318 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.675 8.171 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.337 7.911 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.712 8.384 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.048 8.641 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.411 10.291 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.354 10.764 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.699 11.827 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.485 10.739 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.538 10.333 10.502 1.00 0.00 H new ATOM 530 N LYS A 35 10.613 3.583 10.093 1.00 0.00 N ATOM 531 CA LYS A 35 10.046 2.366 9.573 1.00 0.00 C ATOM 532 C LYS A 35 9.475 2.661 8.229 1.00 0.00 C ATOM 533 O LYS A 35 8.452 3.353 8.108 1.00 0.00 O ATOM 534 CB LYS A 35 8.945 1.818 10.482 1.00 0.00 C ATOM 535 CG LYS A 35 9.358 1.352 11.883 1.00 0.00 C ATOM 536 CD LYS A 35 10.103 0.011 11.896 1.00 0.00 C ATOM 537 CE LYS A 35 11.582 0.116 11.532 1.00 0.00 C ATOM 538 NZ LYS A 35 12.225 -1.198 11.558 1.00 0.00 N ATOM 0 H LYS A 35 9.987 4.106 10.705 1.00 0.00 H new ATOM 0 HA LYS A 35 10.829 1.610 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.184 2.591 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.474 0.978 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.992 2.114 12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.467 1.268 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.015 -0.432 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.616 -0.670 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.685 0.555 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.085 0.785 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.184 -1.123 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.281 -1.538 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.668 -1.868 10.991 1.00 0.00 H new ATOM 552 N PHE A 36 10.135 2.200 7.226 1.00 0.00 N ATOM 553 CA PHE A 36 9.670 2.439 5.902 1.00 0.00 C ATOM 554 C PHE A 36 8.770 1.309 5.426 1.00 0.00 C ATOM 555 O PHE A 36 7.655 1.564 4.994 1.00 0.00 O ATOM 556 CB PHE A 36 10.798 2.780 4.916 1.00 0.00 C ATOM 557 CG PHE A 36 11.774 1.691 4.653 1.00 0.00 C ATOM 558 CD1 PHE A 36 12.875 1.512 5.464 1.00 0.00 C ATOM 559 CD2 PHE A 36 11.582 0.840 3.587 1.00 0.00 C ATOM 560 CE1 PHE A 36 13.762 0.499 5.210 1.00 0.00 C ATOM 561 CE2 PHE A 36 12.464 -0.168 3.338 1.00 0.00 C ATOM 562 CZ PHE A 36 13.549 -0.340 4.143 1.00 0.00 C ATOM 0 H PHE A 36 10.996 1.657 7.294 1.00 0.00 H new ATOM 0 HA PHE A 36 9.057 3.340 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.350 3.078 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.340 3.645 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 36 13.039 2.173 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.725 0.973 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 36 14.624 0.361 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.303 -0.831 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.246 -1.140 3.942 1.00 0.00 H new ATOM 572 N ILE A 37 9.204 0.058 5.541 1.00 0.00 N ATOM 573 CA ILE A 37 8.322 -1.002 5.156 1.00 0.00 C ATOM 574 C ILE A 37 7.311 -1.234 6.266 1.00 0.00 C ATOM 575 O ILE A 37 7.622 -1.741 7.357 1.00 0.00 O ATOM 576 CB ILE A 37 9.027 -2.291 4.468 1.00 0.00 C ATOM 577 CG1 ILE A 37 8.182 -3.589 4.400 1.00 0.00 C ATOM 578 CG2 ILE A 37 10.441 -2.581 4.891 1.00 0.00 C ATOM 579 CD1 ILE A 37 7.976 -4.320 5.713 1.00 0.00 C ATOM 0 H ILE A 37 10.122 -0.225 5.884 1.00 0.00 H new ATOM 0 HA ILE A 37 7.741 -0.690 4.288 1.00 0.00 H new ATOM 0 HB ILE A 37 9.088 -1.926 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.204 -3.341 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.659 -4.273 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.804 -3.464 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.075 -1.728 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.470 -2.762 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.371 -5.211 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.943 -4.611 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.465 -3.664 6.418 1.00 0.00 H new ATOM 591 N ILE A 38 6.117 -0.757 5.998 1.00 0.00 N ATOM 592 CA ILE A 38 5.061 -0.699 6.972 1.00 0.00 C ATOM 593 C ILE A 38 4.213 -1.967 6.911 1.00 0.00 C ATOM 594 O ILE A 38 3.714 -2.446 7.929 1.00 0.00 O ATOM 595 CB ILE A 38 4.246 0.615 6.766 1.00 0.00 C ATOM 596 CG1 ILE A 38 3.415 0.994 7.976 1.00 0.00 C ATOM 597 CG2 ILE A 38 3.370 0.556 5.533 1.00 0.00 C ATOM 598 CD1 ILE A 38 2.821 2.382 7.838 1.00 0.00 C ATOM 0 H ILE A 38 5.852 -0.394 5.082 1.00 0.00 H new ATOM 0 HA ILE A 38 5.469 -0.665 7.982 1.00 0.00 H new ATOM 0 HB ILE A 38 4.993 1.396 6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.614 0.267 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.036 0.951 8.871 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.822 1.493 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.992 0.402 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.664 -0.269 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.233 2.616 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.623 3.112 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.179 2.417 6.958 1.00 0.00 H new ATOM 610 N GLN A 39 4.060 -2.510 5.714 1.00 0.00 N ATOM 611 CA GLN A 39 3.486 -3.819 5.556 1.00 0.00 C ATOM 612 C GLN A 39 3.973 -4.502 4.325 1.00 0.00 C ATOM 613 O GLN A 39 4.228 -3.852 3.294 1.00 0.00 O ATOM 614 CB GLN A 39 1.949 -3.945 5.684 1.00 0.00 C ATOM 615 CG GLN A 39 1.108 -3.225 4.648 1.00 0.00 C ATOM 616 CD GLN A 39 -0.297 -3.837 4.523 1.00 0.00 C ATOM 617 OE1 GLN A 39 -1.258 -3.147 4.275 1.00 0.00 O ATOM 618 NE2 GLN A 39 -0.402 -5.154 4.609 1.00 0.00 N ATOM 0 H GLN A 39 4.329 -2.056 4.841 1.00 0.00 H new ATOM 0 HA GLN A 39 3.859 -4.336 6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.693 -5.004 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.660 -3.577 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.023 -2.172 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.609 -3.267 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.421 -5.719 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.306 -5.604 4.465 1.00 0.00 H new ATOM 627 N ASP A 40 4.166 -5.793 4.454 1.00 0.00 N ATOM 628 CA ASP A 40 4.495 -6.631 3.342 1.00 0.00 C ATOM 629 C ASP A 40 3.190 -7.039 2.705 1.00 0.00 C ATOM 630 O ASP A 40 2.239 -7.422 3.410 1.00 0.00 O ATOM 631 CB ASP A 40 5.275 -7.890 3.775 1.00 0.00 C ATOM 632 CG ASP A 40 6.702 -7.620 4.203 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.566 -7.457 3.323 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.009 -7.637 5.426 1.00 0.00 O ATOM 0 H ASP A 40 4.097 -6.288 5.343 1.00 0.00 H new ATOM 0 HA ASP A 40 5.137 -6.086 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.744 -8.367 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.284 -8.600 2.948 1.00 0.00 H new ATOM 639 N ILE A 41 3.115 -6.925 1.426 1.00 0.00 N ATOM 640 CA ILE A 41 1.918 -7.227 0.686 1.00 0.00 C ATOM 641 C ILE A 41 2.225 -8.184 -0.467 1.00 0.00 C ATOM 642 O ILE A 41 3.038 -7.922 -1.289 1.00 0.00 O ATOM 643 CB ILE A 41 1.180 -5.922 0.195 1.00 0.00 C ATOM 644 CG1 ILE A 41 2.167 -4.765 0.038 1.00 0.00 C ATOM 645 CG2 ILE A 41 0.060 -5.513 1.140 1.00 0.00 C ATOM 646 CD1 ILE A 41 1.556 -3.481 -0.441 1.00 0.00 C ATOM 0 H ILE A 41 3.893 -6.614 0.844 1.00 0.00 H new ATOM 0 HA ILE A 41 1.226 -7.731 1.361 1.00 0.00 H new ATOM 0 HB ILE A 41 0.739 -6.154 -0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.651 -4.585 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.948 -5.063 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.421 -4.610 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.674 -6.316 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.472 -5.319 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.330 -2.718 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.097 -3.638 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.796 -3.153 0.268 1.00 0.00 H new ATOM 658 N ASP A 42 1.623 -9.322 -0.408 1.00 0.00 N ATOM 659 CA ASP A 42 1.733 -10.430 -1.376 1.00 0.00 C ATOM 660 C ASP A 42 3.131 -10.793 -1.769 1.00 0.00 C ATOM 661 O ASP A 42 3.493 -10.858 -2.938 1.00 0.00 O ATOM 662 CB ASP A 42 0.753 -10.404 -2.538 1.00 0.00 C ATOM 663 CG ASP A 42 0.881 -9.244 -3.529 1.00 0.00 C ATOM 664 OD1 ASP A 42 0.507 -8.096 -3.187 1.00 0.00 O ATOM 665 OD2 ASP A 42 1.341 -9.477 -4.686 1.00 0.00 O ATOM 0 H ASP A 42 0.990 -9.548 0.360 1.00 0.00 H new ATOM 0 HA ASP A 42 1.388 -11.275 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.860 -11.336 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.257 -10.390 -2.129 1.00 0.00 H new ATOM 670 N ASP A 43 3.914 -10.923 -0.728 1.00 0.00 N ATOM 671 CA ASP A 43 5.350 -11.368 -0.663 1.00 0.00 C ATOM 672 C ASP A 43 6.347 -10.538 -1.485 1.00 0.00 C ATOM 673 O ASP A 43 7.555 -10.581 -1.235 1.00 0.00 O ATOM 674 CB ASP A 43 5.543 -12.887 -0.941 1.00 0.00 C ATOM 675 CG ASP A 43 5.254 -13.321 -2.368 1.00 0.00 C ATOM 676 OD1 ASP A 43 6.021 -12.966 -3.278 1.00 0.00 O ATOM 677 OD2 ASP A 43 4.288 -14.077 -2.588 1.00 0.00 O ATOM 0 H ASP A 43 3.561 -10.707 0.204 1.00 0.00 H new ATOM 0 HA ASP A 43 5.600 -11.175 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.570 -13.158 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.895 -13.449 -0.268 1.00 0.00 H new ATOM 682 N THR A 44 5.867 -9.824 -2.439 1.00 0.00 N ATOM 683 CA THR A 44 6.716 -9.046 -3.307 1.00 0.00 C ATOM 684 C THR A 44 6.428 -7.548 -3.169 1.00 0.00 C ATOM 685 O THR A 44 7.279 -6.709 -3.475 1.00 0.00 O ATOM 686 CB THR A 44 6.533 -9.494 -4.782 1.00 0.00 C ATOM 687 OG1 THR A 44 6.686 -10.924 -4.871 1.00 0.00 O ATOM 688 CG2 THR A 44 7.578 -8.849 -5.694 1.00 0.00 C ATOM 0 H THR A 44 4.872 -9.754 -2.651 1.00 0.00 H new ATOM 0 HA THR A 44 7.750 -9.219 -3.009 1.00 0.00 H new ATOM 0 HB THR A 44 5.538 -9.185 -5.102 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.198 -11.352 -4.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.422 -9.183 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.482 -7.764 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.576 -9.139 -5.366 1.00 0.00 H new ATOM 696 N HIS A 45 5.260 -7.201 -2.671 1.00 0.00 N ATOM 697 CA HIS A 45 4.915 -5.806 -2.567 1.00 0.00 C ATOM 698 C HIS A 45 5.214 -5.311 -1.202 1.00 0.00 C ATOM 699 O HIS A 45 5.187 -6.068 -0.228 1.00 0.00 O ATOM 700 CB HIS A 45 3.447 -5.534 -2.908 1.00 0.00 C ATOM 701 CG HIS A 45 3.071 -5.788 -4.299 1.00 0.00 C ATOM 702 ND1 HIS A 45 2.852 -6.931 -4.964 1.00 0.00 N flip ATOM 703 CD2 HIS A 45 2.860 -4.787 -5.188 1.00 0.00 C flip ATOM 704 CE1 HIS A 45 2.516 -6.594 -6.229 1.00 0.00 C flip ATOM 705 NE2 HIS A 45 2.533 -5.300 -6.338 1.00 0.00 N flip ATOM 0 H HIS A 45 4.549 -7.853 -2.339 1.00 0.00 H new ATOM 0 HA HIS A 45 5.520 -5.272 -3.299 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.821 -6.149 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.223 -4.494 -2.672 1.00 0.00 H new ATOM 0 HD1 HIS A 45 2.925 -7.876 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.949 -3.732 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.273 -7.288 -7.020 1.00 0.00 H new ATOM 714 N VAL A 46 5.517 -4.074 -1.128 1.00 0.00 N ATOM 715 CA VAL A 46 5.772 -3.411 0.095 1.00 0.00 C ATOM 716 C VAL A 46 5.018 -2.116 0.109 1.00 0.00 C ATOM 717 O VAL A 46 4.818 -1.490 -0.943 1.00 0.00 O ATOM 718 CB VAL A 46 7.304 -3.201 0.310 1.00 0.00 C ATOM 719 CG1 VAL A 46 7.611 -2.065 1.284 1.00 0.00 C ATOM 720 CG2 VAL A 46 7.911 -4.492 0.836 1.00 0.00 C ATOM 0 H VAL A 46 5.598 -3.470 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 46 5.427 -4.025 0.927 1.00 0.00 H new ATOM 0 HB VAL A 46 7.737 -2.928 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.690 -1.963 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.197 -1.133 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.165 -2.286 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.981 -4.355 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.440 -4.756 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.747 -5.292 0.114 1.00 0.00 H new ATOM 730 N PHE A 47 4.516 -1.770 1.246 1.00 0.00 N ATOM 731 CA PHE A 47 3.871 -0.531 1.401 1.00 0.00 C ATOM 732 C PHE A 47 4.736 0.329 2.306 1.00 0.00 C ATOM 733 O PHE A 47 5.380 -0.192 3.241 1.00 0.00 O ATOM 734 CB PHE A 47 2.492 -0.729 2.007 1.00 0.00 C ATOM 735 CG PHE A 47 1.621 0.454 1.824 1.00 0.00 C ATOM 736 CD1 PHE A 47 1.144 0.768 0.566 1.00 0.00 C ATOM 737 CD2 PHE A 47 1.312 1.269 2.876 1.00 0.00 C ATOM 738 CE1 PHE A 47 0.361 1.875 0.365 1.00 0.00 C ATOM 739 CE2 PHE A 47 0.533 2.388 2.682 1.00 0.00 C ATOM 740 CZ PHE A 47 0.054 2.684 1.424 1.00 0.00 C ATOM 0 H PHE A 47 4.546 -2.345 2.088 1.00 0.00 H new ATOM 0 HA PHE A 47 3.739 -0.044 0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.019 -1.599 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.593 -0.942 3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.392 0.132 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.680 1.035 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.011 2.107 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.298 3.033 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.565 3.556 1.274 1.00 0.00 H new ATOM 750 N VAL A 48 4.771 1.593 2.028 1.00 0.00 N ATOM 751 CA VAL A 48 5.545 2.562 2.779 1.00 0.00 C ATOM 752 C VAL A 48 4.710 3.835 2.855 1.00 0.00 C ATOM 753 O VAL A 48 3.720 3.928 2.158 1.00 0.00 O ATOM 754 CB VAL A 48 6.920 2.805 2.058 1.00 0.00 C ATOM 755 CG1 VAL A 48 6.735 3.257 0.620 1.00 0.00 C ATOM 756 CG2 VAL A 48 7.820 3.783 2.798 1.00 0.00 C ATOM 0 H VAL A 48 4.251 2.003 1.252 1.00 0.00 H new ATOM 0 HA VAL A 48 5.770 2.213 3.787 1.00 0.00 H new ATOM 0 HB VAL A 48 7.419 1.836 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.710 3.413 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.190 2.493 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.171 4.190 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.753 3.907 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.318 4.747 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.035 3.397 3.795 1.00 0.00 H new ATOM 766 N ILE A 49 5.041 4.767 3.703 1.00 0.00 N ATOM 767 CA ILE A 49 4.280 5.990 3.745 1.00 0.00 C ATOM 768 C ILE A 49 5.010 7.079 2.969 1.00 0.00 C ATOM 769 O ILE A 49 6.244 7.183 3.024 1.00 0.00 O ATOM 770 CB ILE A 49 3.923 6.440 5.190 1.00 0.00 C ATOM 771 CG1 ILE A 49 2.861 7.548 5.167 1.00 0.00 C ATOM 772 CG2 ILE A 49 5.156 6.886 5.978 1.00 0.00 C ATOM 773 CD1 ILE A 49 2.420 8.016 6.538 1.00 0.00 C ATOM 0 H ILE A 49 5.816 4.710 4.364 1.00 0.00 H new ATOM 0 HA ILE A 49 3.321 5.798 3.263 1.00 0.00 H new ATOM 0 HB ILE A 49 3.511 5.572 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.254 8.401 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.989 7.188 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.856 7.191 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.863 6.059 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.629 7.726 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.669 8.799 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.994 7.178 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.279 8.409 7.082 1.00 0.00 H new ATOM 785 N ALA A 50 4.252 7.876 2.241 1.00 0.00 N ATOM 786 CA ALA A 50 4.809 8.888 1.366 1.00 0.00 C ATOM 787 C ALA A 50 5.522 9.980 2.132 1.00 0.00 C ATOM 788 O ALA A 50 6.435 10.621 1.621 1.00 0.00 O ATOM 789 CB ALA A 50 3.746 9.473 0.467 1.00 0.00 C ATOM 0 H ALA A 50 3.233 7.840 2.240 1.00 0.00 H new ATOM 0 HA ALA A 50 5.554 8.392 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.192 10.230 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.312 8.683 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.966 9.930 1.076 1.00 0.00 H new ATOM 795 N GLU A 51 5.109 10.161 3.360 1.00 0.00 N ATOM 796 CA GLU A 51 5.630 11.183 4.242 1.00 0.00 C ATOM 797 C GLU A 51 7.171 11.072 4.423 1.00 0.00 C ATOM 798 O GLU A 51 7.850 12.077 4.658 1.00 0.00 O ATOM 799 CB GLU A 51 4.919 11.079 5.589 1.00 0.00 C ATOM 800 CG GLU A 51 5.147 12.260 6.495 1.00 0.00 C ATOM 801 CD GLU A 51 4.492 12.094 7.837 1.00 0.00 C ATOM 802 OE1 GLU A 51 3.315 12.471 7.991 1.00 0.00 O ATOM 803 OE2 GLU A 51 5.149 11.594 8.783 1.00 0.00 O ATOM 0 H GLU A 51 4.382 9.588 3.789 1.00 0.00 H new ATOM 0 HA GLU A 51 5.440 12.158 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.849 10.969 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.255 10.175 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.218 12.406 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.762 13.160 6.016 1.00 0.00 H new ATOM 810 N LEU A 52 7.711 9.867 4.306 1.00 0.00 N ATOM 811 CA LEU A 52 9.148 9.668 4.455 1.00 0.00 C ATOM 812 C LEU A 52 9.792 9.129 3.176 1.00 0.00 C ATOM 813 O LEU A 52 10.967 8.775 3.165 1.00 0.00 O ATOM 814 CB LEU A 52 9.451 8.774 5.686 1.00 0.00 C ATOM 815 CG LEU A 52 8.763 7.389 5.762 1.00 0.00 C ATOM 816 CD1 LEU A 52 9.351 6.381 4.787 1.00 0.00 C ATOM 817 CD2 LEU A 52 8.803 6.849 7.170 1.00 0.00 C ATOM 0 H LEU A 52 7.182 9.018 4.110 1.00 0.00 H new ATOM 0 HA LEU A 52 9.602 10.643 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.529 8.615 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.177 9.333 6.581 1.00 0.00 H new ATOM 0 HG LEU A 52 7.725 7.542 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.828 5.430 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.238 6.752 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.409 6.238 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.314 5.875 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.840 6.745 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.284 7.536 7.838 1.00 0.00 H new ATOM 829 N VAL A 53 9.044 9.128 2.092 1.00 0.00 N ATOM 830 CA VAL A 53 9.492 8.485 0.857 1.00 0.00 C ATOM 831 C VAL A 53 10.721 9.142 0.234 1.00 0.00 C ATOM 832 O VAL A 53 11.478 8.476 -0.422 1.00 0.00 O ATOM 833 CB VAL A 53 8.364 8.237 -0.195 1.00 0.00 C ATOM 834 CG1 VAL A 53 7.971 9.504 -0.920 1.00 0.00 C ATOM 835 CG2 VAL A 53 8.743 7.132 -1.180 1.00 0.00 C ATOM 0 H VAL A 53 8.123 9.562 2.033 1.00 0.00 H new ATOM 0 HA VAL A 53 9.803 7.494 1.187 1.00 0.00 H new ATOM 0 HB VAL A 53 7.489 7.900 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.184 9.282 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.607 10.237 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.838 9.908 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.933 6.989 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.652 7.414 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.915 6.203 -0.636 1.00 0.00 H new ATOM 845 N ASN A 54 10.916 10.439 0.427 1.00 0.00 N ATOM 846 CA ASN A 54 12.089 11.120 -0.162 1.00 0.00 C ATOM 847 C ASN A 54 13.404 10.480 0.271 1.00 0.00 C ATOM 848 O ASN A 54 14.340 10.371 -0.534 1.00 0.00 O ATOM 849 CB ASN A 54 12.102 12.637 0.086 1.00 0.00 C ATOM 850 CG ASN A 54 11.028 13.372 -0.698 1.00 0.00 C ATOM 851 OD1 ASN A 54 11.248 13.785 -1.836 1.00 0.00 O ATOM 852 ND2 ASN A 54 9.873 13.545 -0.117 1.00 0.00 N ATOM 0 H ASN A 54 10.299 11.041 0.973 1.00 0.00 H new ATOM 0 HA ASN A 54 11.990 10.984 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.963 12.828 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.080 13.036 -0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.124 14.034 -0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.719 13.192 0.827 1.00 0.00 H new ATOM 859 N VAL A 55 13.451 9.960 1.503 1.00 0.00 N ATOM 860 CA VAL A 55 14.666 9.306 1.977 1.00 0.00 C ATOM 861 C VAL A 55 14.829 7.981 1.255 1.00 0.00 C ATOM 862 O VAL A 55 15.921 7.556 0.916 1.00 0.00 O ATOM 863 CB VAL A 55 14.731 9.116 3.530 1.00 0.00 C ATOM 864 CG1 VAL A 55 14.435 10.403 4.243 1.00 0.00 C ATOM 865 CG2 VAL A 55 13.826 8.015 4.056 1.00 0.00 C ATOM 0 H VAL A 55 12.681 9.980 2.172 1.00 0.00 H new ATOM 0 HA VAL A 55 15.498 9.970 1.744 1.00 0.00 H new ATOM 0 HB VAL A 55 15.754 8.804 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.487 10.243 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.167 11.157 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.436 10.746 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.928 7.946 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.791 8.243 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.109 7.064 3.604 1.00 0.00 H new ATOM 875 N LEU A 56 13.715 7.377 0.995 1.00 0.00 N ATOM 876 CA LEU A 56 13.627 6.151 0.255 1.00 0.00 C ATOM 877 C LEU A 56 14.016 6.348 -1.190 1.00 0.00 C ATOM 878 O LEU A 56 14.601 5.485 -1.776 1.00 0.00 O ATOM 879 CB LEU A 56 12.236 5.526 0.386 1.00 0.00 C ATOM 880 CG LEU A 56 12.063 4.479 1.487 1.00 0.00 C ATOM 881 CD1 LEU A 56 12.808 3.247 1.097 1.00 0.00 C ATOM 882 CD2 LEU A 56 12.604 4.964 2.814 1.00 0.00 C ATOM 0 H LEU A 56 12.809 7.732 1.300 1.00 0.00 H new ATOM 0 HA LEU A 56 14.343 5.451 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.517 6.326 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.977 5.065 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 56 10.997 4.282 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.693 2.491 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.411 2.864 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.865 3.484 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.462 4.191 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.667 5.184 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.073 5.867 3.115 1.00 0.00 H new ATOM 894 N GLN A 57 13.683 7.493 -1.751 1.00 0.00 N ATOM 895 CA GLN A 57 14.032 7.803 -3.135 1.00 0.00 C ATOM 896 C GLN A 57 15.506 7.773 -3.305 1.00 0.00 C ATOM 897 O GLN A 57 16.018 7.142 -4.235 1.00 0.00 O ATOM 898 CB GLN A 57 13.476 9.172 -3.540 1.00 0.00 C ATOM 899 CG GLN A 57 11.979 9.246 -3.388 1.00 0.00 C ATOM 900 CD GLN A 57 11.257 8.293 -4.297 1.00 0.00 C ATOM 901 OE1 GLN A 57 11.268 7.052 -3.925 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 10.815 8.658 -5.385 1.00 0.00 N flip ATOM 0 H GLN A 57 13.168 8.232 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 57 13.586 7.049 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.940 9.946 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.745 9.380 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.712 9.029 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.646 10.263 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.827 9.647 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.436 7.972 -6.038 1.00 0.00 H new ATOM 911 N GLU A 58 16.204 8.398 -2.384 1.00 0.00 N ATOM 912 CA GLU A 58 17.622 8.374 -2.474 1.00 0.00 C ATOM 913 C GLU A 58 18.200 7.017 -2.098 1.00 0.00 C ATOM 914 O GLU A 58 19.062 6.487 -2.795 1.00 0.00 O ATOM 915 CB GLU A 58 18.324 9.509 -1.732 1.00 0.00 C ATOM 916 CG GLU A 58 18.036 9.597 -0.248 1.00 0.00 C ATOM 917 CD GLU A 58 18.863 10.657 0.425 1.00 0.00 C ATOM 918 OE1 GLU A 58 20.023 10.384 0.802 1.00 0.00 O ATOM 919 OE2 GLU A 58 18.375 11.790 0.597 1.00 0.00 O ATOM 0 H GLU A 58 15.816 8.911 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 58 17.832 8.548 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.400 9.398 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.039 10.453 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.978 9.812 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.235 8.632 0.218 1.00 0.00 H new ATOM 926 N ARG A 59 17.693 6.451 -1.016 1.00 0.00 N ATOM 927 CA ARG A 59 18.198 5.199 -0.494 1.00 0.00 C ATOM 928 C ARG A 59 18.031 4.050 -1.504 1.00 0.00 C ATOM 929 O ARG A 59 18.968 3.299 -1.738 1.00 0.00 O ATOM 930 CB ARG A 59 17.513 4.883 0.858 1.00 0.00 C ATOM 931 CG ARG A 59 17.857 3.538 1.495 1.00 0.00 C ATOM 932 CD ARG A 59 19.355 3.369 1.753 1.00 0.00 C ATOM 933 NE ARG A 59 19.890 4.399 2.660 1.00 0.00 N ATOM 934 CZ ARG A 59 20.807 4.181 3.628 1.00 0.00 C ATOM 935 NH1 ARG A 59 21.282 2.952 3.858 1.00 0.00 N ATOM 936 NH2 ARG A 59 21.238 5.195 4.363 1.00 0.00 N ATOM 0 H ARG A 59 16.922 6.847 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 59 19.270 5.301 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 17.771 5.672 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 59 16.434 4.926 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 59 17.318 3.439 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 59 17.512 2.734 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 59 19.538 2.383 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 59 19.891 3.410 0.805 1.00 0.00 H new ATOM 0 HE ARG A 59 19.541 5.351 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 59 20.952 2.165 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 59 21.974 2.802 4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 20.878 6.135 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 59 21.930 5.036 5.095 1.00 0.00 H new ATOM 950 N VAL A 60 16.869 3.976 -2.127 1.00 0.00 N ATOM 951 CA VAL A 60 16.553 2.950 -3.121 1.00 0.00 C ATOM 952 C VAL A 60 17.276 3.246 -4.434 1.00 0.00 C ATOM 953 O VAL A 60 17.659 2.331 -5.178 1.00 0.00 O ATOM 954 CB VAL A 60 15.002 2.826 -3.352 1.00 0.00 C ATOM 955 CG1 VAL A 60 14.667 1.853 -4.477 1.00 0.00 C ATOM 956 CG2 VAL A 60 14.323 2.359 -2.075 1.00 0.00 C ATOM 0 H VAL A 60 16.105 4.631 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 60 16.902 1.991 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 60 14.638 3.813 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 60 13.585 1.799 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.122 2.199 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.054 0.864 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.249 2.276 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 60 14.721 1.387 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.511 3.079 -1.279 1.00 0.00 H new ATOM 966 N GLY A 61 17.483 4.512 -4.702 1.00 0.00 N ATOM 967 CA GLY A 61 18.166 4.903 -5.901 1.00 0.00 C ATOM 968 C GLY A 61 19.646 4.582 -5.853 1.00 0.00 C ATOM 969 O GLY A 61 20.168 3.867 -6.715 1.00 0.00 O ATOM 0 H GLY A 61 17.187 5.284 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.715 4.397 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 61 18.034 5.973 -6.059 1.00 0.00 H new ATOM 973 N GLU A 62 20.312 5.047 -4.824 1.00 0.00 N ATOM 974 CA GLU A 62 21.755 4.922 -4.739 1.00 0.00 C ATOM 975 C GLU A 62 22.244 3.519 -4.440 1.00 0.00 C ATOM 976 O GLU A 62 23.231 3.084 -5.035 1.00 0.00 O ATOM 977 CB GLU A 62 22.366 5.915 -3.748 1.00 0.00 C ATOM 978 CG GLU A 62 22.100 7.379 -4.064 1.00 0.00 C ATOM 979 CD GLU A 62 22.496 7.767 -5.471 1.00 0.00 C ATOM 980 OE1 GLU A 62 23.700 7.732 -5.809 1.00 0.00 O ATOM 981 OE2 GLU A 62 21.606 8.160 -6.253 1.00 0.00 O ATOM 0 H GLU A 62 19.880 5.518 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 62 22.103 5.165 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 21.980 5.697 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 62 23.444 5.756 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 62 21.040 7.588 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 62 22.646 8.002 -3.355 1.00 0.00 H new ATOM 988 N LEU A 63 21.533 2.781 -3.584 1.00 0.00 N ATOM 989 CA LEU A 63 22.046 1.471 -3.095 1.00 0.00 C ATOM 990 C LEU A 63 22.180 0.419 -4.195 1.00 0.00 C ATOM 991 O LEU A 63 22.770 -0.641 -3.973 1.00 0.00 O ATOM 992 CB LEU A 63 21.273 0.915 -1.855 1.00 0.00 C ATOM 993 CG LEU A 63 20.143 -0.119 -2.068 1.00 0.00 C ATOM 994 CD1 LEU A 63 19.558 -0.535 -0.729 1.00 0.00 C ATOM 995 CD2 LEU A 63 19.050 0.407 -2.962 1.00 0.00 C ATOM 0 H LEU A 63 20.620 3.048 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 63 23.057 1.692 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 63 22.007 0.465 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 63 20.842 1.767 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 63 20.584 -0.984 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 63 18.763 -1.263 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 20.339 -0.981 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.151 0.340 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 63 18.280 -0.355 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.612 1.299 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 63 19.467 0.658 -3.937 1.00 0.00 H new ATOM 1007 N MET A 64 21.629 0.712 -5.376 1.00 0.00 N ATOM 1008 CA MET A 64 21.792 -0.168 -6.517 1.00 0.00 C ATOM 1009 C MET A 64 23.271 -0.263 -6.839 1.00 0.00 C ATOM 1010 O MET A 64 23.817 -1.353 -6.987 1.00 0.00 O ATOM 1011 CB MET A 64 21.035 0.339 -7.760 1.00 0.00 C ATOM 1012 CG MET A 64 19.530 0.491 -7.588 1.00 0.00 C ATOM 1013 SD MET A 64 18.673 0.891 -9.144 1.00 0.00 S ATOM 1014 CE MET A 64 19.506 2.406 -9.639 1.00 0.00 C ATOM 0 H MET A 64 21.072 1.547 -5.558 1.00 0.00 H new ATOM 0 HA MET A 64 21.377 -1.142 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 64 21.450 1.304 -8.049 1.00 0.00 H new ATOM 0 HB3 MET A 64 21.222 -0.349 -8.585 1.00 0.00 H new ATOM 0 HG2 MET A 64 19.121 -0.434 -7.182 1.00 0.00 H new ATOM 0 HG3 MET A 64 19.331 1.275 -6.858 1.00 0.00 H new ATOM 0 HE1 MET A 64 19.036 2.803 -10.539 1.00 0.00 H new ATOM 0 HE2 MET A 64 19.432 3.141 -8.837 1.00 0.00 H new ATOM 0 HE3 MET A 64 20.556 2.194 -9.842 1.00 0.00 H new ATOM 1024 N ASP A 65 23.925 0.891 -6.890 1.00 0.00 N ATOM 1025 CA ASP A 65 25.351 0.956 -7.178 1.00 0.00 C ATOM 1026 C ASP A 65 26.127 0.934 -5.878 1.00 0.00 C ATOM 1027 O ASP A 65 27.047 0.126 -5.696 1.00 0.00 O ATOM 1028 CB ASP A 65 25.716 2.265 -7.913 1.00 0.00 C ATOM 1029 CG ASP A 65 24.971 2.496 -9.207 1.00 0.00 C ATOM 1030 OD1 ASP A 65 25.405 1.997 -10.268 1.00 0.00 O ATOM 1031 OD2 ASP A 65 23.955 3.225 -9.194 1.00 0.00 O ATOM 0 H ASP A 65 23.487 1.799 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 65 25.601 0.102 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 65 25.525 3.105 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 26.786 2.261 -8.122 1.00 0.00 H new ATOM 1036 N GLN A 66 25.702 1.785 -4.952 1.00 0.00 N ATOM 1037 CA GLN A 66 26.340 1.977 -3.656 1.00 0.00 C ATOM 1038 C GLN A 66 25.597 3.125 -2.980 1.00 0.00 C ATOM 1039 O GLN A 66 25.471 4.201 -3.568 1.00 0.00 O ATOM 1040 CB GLN A 66 27.819 2.387 -3.842 1.00 0.00 C ATOM 1041 CG GLN A 66 28.692 2.209 -2.608 1.00 0.00 C ATOM 1042 CD GLN A 66 28.820 0.746 -2.215 1.00 0.00 C ATOM 1043 OE1 GLN A 66 29.705 0.041 -2.684 1.00 0.00 O ATOM 1044 NE2 GLN A 66 27.958 0.275 -1.368 1.00 0.00 N ATOM 0 H GLN A 66 24.882 2.376 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 66 26.307 1.059 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 66 28.244 1.801 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 66 27.856 3.433 -4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 66 29.682 2.622 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 66 28.267 2.773 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 66 27.230 0.882 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 66 28.008 -0.702 -1.079 1.00 0.00 H new ATOM 1053 N ASN A 67 25.111 2.924 -1.770 1.00 0.00 N ATOM 1054 CA ASN A 67 24.312 3.966 -1.091 1.00 0.00 C ATOM 1055 C ASN A 67 25.180 4.974 -0.359 1.00 0.00 C ATOM 1056 O ASN A 67 24.675 5.759 0.450 1.00 0.00 O ATOM 1057 CB ASN A 67 23.282 3.378 -0.103 1.00 0.00 C ATOM 1058 CG ASN A 67 23.887 2.696 1.124 1.00 0.00 C ATOM 1059 OD1 ASN A 67 24.104 1.482 1.139 1.00 0.00 O ATOM 1060 ND2 ASN A 67 24.174 3.465 2.147 1.00 0.00 N ATOM 0 H ASN A 67 25.244 2.068 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 67 23.775 4.475 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.623 4.179 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 67 22.662 2.656 -0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 67 24.589 3.062 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.982 4.466 2.102 1.00 0.00 H new ATOM 1067 N ALA A 68 26.459 4.943 -0.632 1.00 0.00 N ATOM 1068 CA ALA A 68 27.411 5.844 -0.033 1.00 0.00 C ATOM 1069 C ALA A 68 27.090 7.278 -0.412 1.00 0.00 C ATOM 1070 O ALA A 68 27.328 7.711 -1.547 1.00 0.00 O ATOM 1071 CB ALA A 68 28.825 5.481 -0.460 1.00 0.00 C ATOM 0 H ALA A 68 26.875 4.281 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 68 27.345 5.751 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.532 6.171 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 68 29.051 4.463 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 68 28.906 5.549 -1.545 1.00 0.00 H new ATOM 1077 N PHE A 69 26.525 7.997 0.515 1.00 0.00 N ATOM 1078 CA PHE A 69 26.168 9.355 0.290 1.00 0.00 C ATOM 1079 C PHE A 69 27.333 10.289 0.580 1.00 0.00 C ATOM 1080 O PHE A 69 27.525 10.791 1.686 1.00 0.00 O ATOM 1081 CB PHE A 69 24.841 9.756 0.989 1.00 0.00 C ATOM 1082 CG PHE A 69 24.702 9.296 2.417 1.00 0.00 C ATOM 1083 CD1 PHE A 69 25.147 10.075 3.462 1.00 0.00 C ATOM 1084 CD2 PHE A 69 24.119 8.069 2.703 1.00 0.00 C ATOM 1085 CE1 PHE A 69 25.020 9.647 4.758 1.00 0.00 C ATOM 1086 CE2 PHE A 69 23.989 7.636 4.000 1.00 0.00 C ATOM 1087 CZ PHE A 69 24.442 8.427 5.029 1.00 0.00 C ATOM 0 H PHE A 69 26.301 7.651 1.448 1.00 0.00 H new ATOM 0 HA PHE A 69 25.952 9.465 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 69 24.750 10.842 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 69 24.009 9.353 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 69 25.601 11.034 3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 69 23.763 7.447 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 69 25.374 10.268 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 69 23.533 6.680 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 69 24.344 8.091 6.051 1.00 0.00 H new ATOM 1097 N SER A 70 28.165 10.417 -0.401 1.00 0.00 N ATOM 1098 CA SER A 70 29.313 11.271 -0.346 1.00 0.00 C ATOM 1099 C SER A 70 29.331 12.107 -1.604 1.00 0.00 C ATOM 1100 O SER A 70 30.372 12.537 -2.084 1.00 0.00 O ATOM 1101 CB SER A 70 30.564 10.406 -0.242 1.00 0.00 C ATOM 1102 OG SER A 70 30.472 9.552 0.894 1.00 0.00 O ATOM 0 H SER A 70 28.066 9.920 -1.286 1.00 0.00 H new ATOM 0 HA SER A 70 29.280 11.930 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 70 30.680 9.810 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 70 31.448 11.039 -0.161 1.00 0.00 H new ATOM 0 HG SER A 70 31.278 8.998 0.953 1.00 0.00 H new ATOM 1108 N LEU A 71 28.140 12.421 -2.083 1.00 0.00 N ATOM 1109 CA LEU A 71 27.971 13.168 -3.314 1.00 0.00 C ATOM 1110 C LEU A 71 28.306 14.661 -3.172 1.00 0.00 C ATOM 1111 O LEU A 71 28.084 15.448 -4.065 1.00 0.00 O ATOM 1112 CB LEU A 71 26.616 12.873 -4.066 1.00 0.00 C ATOM 1113 CG LEU A 71 25.230 13.027 -3.362 1.00 0.00 C ATOM 1114 CD1 LEU A 71 25.008 12.018 -2.248 1.00 0.00 C ATOM 1115 CD2 LEU A 71 24.988 14.442 -2.883 1.00 0.00 C ATOM 0 H LEU A 71 27.264 12.165 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 71 28.732 12.777 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 26.596 13.519 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 71 26.673 11.846 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 71 24.487 12.807 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 71 24.027 12.180 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 71 25.059 11.009 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 25.778 12.141 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 24.013 14.501 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 25.763 14.722 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 25.014 15.123 -3.733 1.00 0.00 H new ATOM 1127 N THR A 72 28.903 15.018 -2.061 1.00 0.00 N ATOM 1128 CA THR A 72 29.417 16.343 -1.870 1.00 0.00 C ATOM 1129 C THR A 72 30.754 16.470 -2.640 1.00 0.00 C ATOM 1130 O THR A 72 31.245 17.563 -2.893 1.00 0.00 O ATOM 1131 CB THR A 72 29.611 16.665 -0.351 1.00 0.00 C ATOM 1132 OG1 THR A 72 30.024 18.031 -0.162 1.00 0.00 O ATOM 1133 CG2 THR A 72 30.637 15.729 0.293 1.00 0.00 C ATOM 0 H THR A 72 29.044 14.394 -1.266 1.00 0.00 H new ATOM 0 HA THR A 72 28.701 17.067 -2.257 1.00 0.00 H new ATOM 0 HB THR A 72 28.647 16.513 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 72 30.137 18.209 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 72 30.747 15.981 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.298 14.697 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.598 15.842 -0.209 1.00 0.00 H new ATOM 1141 N GLN A 73 31.324 15.333 -3.016 1.00 0.00 N ATOM 1142 CA GLN A 73 32.559 15.325 -3.774 1.00 0.00 C ATOM 1143 C GLN A 73 32.331 14.712 -5.159 1.00 0.00 C ATOM 1144 O GLN A 73 33.238 14.677 -5.999 1.00 0.00 O ATOM 1145 CB GLN A 73 33.649 14.577 -2.997 1.00 0.00 C ATOM 1146 CG GLN A 73 33.338 13.114 -2.739 1.00 0.00 C ATOM 1147 CD GLN A 73 34.288 12.475 -1.762 1.00 0.00 C ATOM 1148 OE1 GLN A 73 34.810 13.130 -0.862 1.00 0.00 O ATOM 1149 NE2 GLN A 73 34.501 11.211 -1.901 1.00 0.00 N ATOM 0 H GLN A 73 30.948 14.408 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 73 32.897 16.351 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 73 34.586 14.645 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 73 33.806 15.077 -2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 73 32.320 13.026 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 73 33.374 12.569 -3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 73 34.051 10.698 -2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 73 35.119 10.724 -1.252 1.00 0.00 H new ATOM 1158 N LYS A 74 31.113 14.263 -5.390 1.00 0.00 N ATOM 1159 CA LYS A 74 30.704 13.648 -6.643 1.00 0.00 C ATOM 1160 C LYS A 74 29.178 13.681 -6.738 1.00 0.00 C ATOM 1161 O LYS A 74 28.521 12.619 -6.639 1.00 0.00 O ATOM 1162 CB LYS A 74 31.227 12.192 -6.778 1.00 0.00 C ATOM 1163 CG LYS A 74 30.934 11.295 -5.570 1.00 0.00 C ATOM 1164 CD LYS A 74 30.903 9.813 -5.938 1.00 0.00 C ATOM 1165 CE LYS A 74 29.721 9.482 -6.865 1.00 0.00 C ATOM 1166 NZ LYS A 74 28.424 9.974 -6.319 1.00 0.00 N ATOM 1167 OXT LYS A 74 28.625 14.779 -6.806 1.00 0.00 O ATOM 0 H LYS A 74 30.363 14.315 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 74 31.142 14.216 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.783 11.741 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 74 32.304 12.220 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 74 31.693 11.461 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 29.976 11.578 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 74 31.838 9.540 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 74 30.832 9.214 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 74 29.894 9.928 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 74 29.666 8.403 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 27.662 9.323 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.480 10.022 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.224 10.921 -6.699 1.00 0.00 H new TER 1181 LYS A 74 ATOM 1182 N GLY B 1 7.475 -14.990 -16.164 1.00 0.00 N ATOM 1183 CA GLY B 1 7.906 -15.089 -14.783 1.00 0.00 C ATOM 1184 C GLY B 1 7.106 -14.166 -13.919 1.00 0.00 C ATOM 1185 O GLY B 1 5.903 -14.007 -14.135 1.00 0.00 O ATOM 0 H1 GLY B 1 7.364 -15.944 -16.562 1.00 0.00 H new ATOM 0 H2 GLY B 1 6.565 -14.488 -16.209 1.00 0.00 H new ATOM 0 H3 GLY B 1 8.186 -14.466 -16.713 1.00 0.00 H new ATOM 0 HA2 GLY B 1 7.792 -16.115 -14.433 1.00 0.00 H new ATOM 0 HA3 GLY B 1 8.965 -14.842 -14.707 1.00 0.00 H new ATOM 1191 N SER B 2 7.737 -13.559 -12.944 1.00 0.00 N ATOM 1192 CA SER B 2 7.080 -12.631 -12.066 1.00 0.00 C ATOM 1193 C SER B 2 8.062 -11.580 -11.577 1.00 0.00 C ATOM 1194 O SER B 2 8.920 -11.854 -10.727 1.00 0.00 O ATOM 1195 CB SER B 2 6.424 -13.363 -10.884 1.00 0.00 C ATOM 1196 OG SER B 2 5.438 -14.289 -11.345 1.00 0.00 O ATOM 0 H SER B 2 8.726 -13.698 -12.739 1.00 0.00 H new ATOM 0 HA SER B 2 6.290 -12.129 -12.625 1.00 0.00 H new ATOM 0 HB2 SER B 2 7.185 -13.891 -10.310 1.00 0.00 H new ATOM 0 HB3 SER B 2 5.963 -12.639 -10.212 1.00 0.00 H new ATOM 0 HG SER B 2 5.034 -14.745 -10.578 1.00 0.00 H new ATOM 1202 N HIS B 3 7.999 -10.419 -12.197 1.00 0.00 N ATOM 1203 CA HIS B 3 8.775 -9.260 -11.788 1.00 0.00 C ATOM 1204 C HIS B 3 8.207 -8.020 -12.451 1.00 0.00 C ATOM 1205 O HIS B 3 8.425 -7.760 -13.633 1.00 0.00 O ATOM 1206 CB HIS B 3 10.314 -9.410 -12.012 1.00 0.00 C ATOM 1207 CG HIS B 3 10.777 -9.593 -13.430 1.00 0.00 C ATOM 1208 ND1 HIS B 3 11.455 -8.622 -14.119 1.00 0.00 N ATOM 1209 CD2 HIS B 3 10.705 -10.656 -14.261 1.00 0.00 C ATOM 1210 CE1 HIS B 3 11.782 -9.070 -15.303 1.00 0.00 C ATOM 1211 NE2 HIS B 3 11.339 -10.301 -15.417 1.00 0.00 N ATOM 0 H HIS B 3 7.403 -10.249 -13.007 1.00 0.00 H new ATOM 0 HA HIS B 3 8.679 -9.165 -10.706 1.00 0.00 H new ATOM 0 HB2 HIS B 3 10.804 -8.525 -11.606 1.00 0.00 H new ATOM 0 HB3 HIS B 3 10.661 -10.263 -11.428 1.00 0.00 H new ATOM 0 HD2 HIS B 3 10.235 -11.606 -14.051 1.00 0.00 H new ATOM 0 HE1 HIS B 3 12.324 -8.521 -16.059 1.00 0.00 H new ATOM 0 HE2 HIS B 3 11.451 -10.896 -16.238 1.00 0.00 H new ATOM 1220 N MET B 4 7.416 -7.328 -11.707 1.00 0.00 N ATOM 1221 CA MET B 4 6.728 -6.141 -12.151 1.00 0.00 C ATOM 1222 C MET B 4 7.188 -5.007 -11.294 1.00 0.00 C ATOM 1223 O MET B 4 7.478 -5.214 -10.126 1.00 0.00 O ATOM 1224 CB MET B 4 5.216 -6.334 -11.963 1.00 0.00 C ATOM 1225 CG MET B 4 4.634 -7.527 -12.709 1.00 0.00 C ATOM 1226 SD MET B 4 2.910 -7.874 -12.271 1.00 0.00 S ATOM 1227 CE MET B 4 2.116 -6.322 -12.663 1.00 0.00 C ATOM 0 H MET B 4 7.216 -7.572 -10.737 1.00 0.00 H new ATOM 0 HA MET B 4 6.937 -5.942 -13.202 1.00 0.00 H new ATOM 0 HB2 MET B 4 5.007 -6.449 -10.900 1.00 0.00 H new ATOM 0 HB3 MET B 4 4.703 -5.430 -12.293 1.00 0.00 H new ATOM 0 HG2 MET B 4 4.699 -7.343 -13.781 1.00 0.00 H new ATOM 0 HG3 MET B 4 5.240 -8.409 -12.499 1.00 0.00 H new ATOM 0 HE1 MET B 4 1.034 -6.453 -12.648 1.00 0.00 H new ATOM 0 HE2 MET B 4 2.401 -5.571 -11.926 1.00 0.00 H new ATOM 0 HE3 MET B 4 2.428 -5.994 -13.655 1.00 0.00 H new ATOM 1237 N VAL B 5 7.304 -3.835 -11.848 1.00 0.00 N ATOM 1238 CA VAL B 5 7.689 -2.700 -11.053 1.00 0.00 C ATOM 1239 C VAL B 5 6.593 -1.677 -11.078 1.00 0.00 C ATOM 1240 O VAL B 5 6.380 -0.985 -12.088 1.00 0.00 O ATOM 1241 CB VAL B 5 9.006 -2.037 -11.496 1.00 0.00 C ATOM 1242 CG1 VAL B 5 9.360 -0.929 -10.516 1.00 0.00 C ATOM 1243 CG2 VAL B 5 10.127 -3.051 -11.573 1.00 0.00 C ATOM 0 H VAL B 5 7.140 -3.639 -12.835 1.00 0.00 H new ATOM 0 HA VAL B 5 7.857 -3.080 -10.046 1.00 0.00 H new ATOM 0 HB VAL B 5 8.873 -1.616 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.292 -0.455 -10.824 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.562 -0.186 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.480 -1.351 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL B 5 11.045 -2.555 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL B 5 10.277 -3.503 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL B 5 9.867 -3.826 -12.294 1.00 0.00 H new ATOM 1253 N ASN B 6 5.906 -1.576 -9.993 1.00 0.00 N ATOM 1254 CA ASN B 6 4.798 -0.661 -9.865 1.00 0.00 C ATOM 1255 C ASN B 6 4.841 -0.013 -8.557 1.00 0.00 C ATOM 1256 O ASN B 6 4.643 -0.644 -7.507 1.00 0.00 O ATOM 1257 CB ASN B 6 3.426 -1.293 -10.080 1.00 0.00 C ATOM 1258 CG ASN B 6 3.221 -1.773 -11.471 1.00 0.00 C ATOM 1259 OD1 ASN B 6 2.819 -1.016 -12.362 1.00 0.00 O ATOM 1260 ND2 ASN B 6 3.399 -3.019 -11.671 1.00 0.00 N ATOM 0 H ASN B 6 6.090 -2.127 -9.155 1.00 0.00 H new ATOM 0 HA ASN B 6 4.920 0.067 -10.667 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.305 -2.129 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.654 -0.564 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.209 -3.420 -12.589 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.732 -3.615 -10.913 1.00 0.00 H new ATOM 1267 N VAL B 7 5.211 1.190 -8.601 1.00 0.00 N ATOM 1268 CA VAL B 7 5.252 2.019 -7.440 1.00 0.00 C ATOM 1269 C VAL B 7 4.265 3.138 -7.661 1.00 0.00 C ATOM 1270 O VAL B 7 4.323 3.825 -8.688 1.00 0.00 O ATOM 1271 CB VAL B 7 6.676 2.582 -7.173 1.00 0.00 C ATOM 1272 CG1 VAL B 7 6.771 3.350 -5.868 1.00 0.00 C ATOM 1273 CG2 VAL B 7 7.731 1.494 -7.267 1.00 0.00 C ATOM 0 H VAL B 7 5.506 1.659 -9.458 1.00 0.00 H new ATOM 0 HA VAL B 7 4.991 1.434 -6.558 1.00 0.00 H new ATOM 0 HB VAL B 7 6.876 3.305 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL B 7 7.788 3.719 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL B 7 6.080 4.192 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.513 2.691 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL B 7 8.714 1.923 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL B 7 7.522 0.720 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL B 7 7.715 1.057 -8.265 1.00 0.00 H new ATOM 1283 N LEU B 8 3.390 3.349 -6.720 1.00 0.00 N ATOM 1284 CA LEU B 8 2.305 4.245 -6.948 1.00 0.00 C ATOM 1285 C LEU B 8 1.866 4.919 -5.635 1.00 0.00 C ATOM 1286 O LEU B 8 1.967 4.325 -4.585 1.00 0.00 O ATOM 1287 CB LEU B 8 1.196 3.407 -7.563 1.00 0.00 C ATOM 1288 CG LEU B 8 0.200 4.130 -8.402 1.00 0.00 C ATOM 1289 CD1 LEU B 8 0.904 4.861 -9.519 1.00 0.00 C ATOM 1290 CD2 LEU B 8 -0.776 3.167 -8.992 1.00 0.00 C ATOM 0 H LEU B 8 3.410 2.915 -5.797 1.00 0.00 H new ATOM 0 HA LEU B 8 2.584 5.060 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.655 2.630 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU B 8 0.662 2.905 -6.757 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.331 4.843 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.170 5.388 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.607 5.579 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU B 8 1.444 4.145 -10.139 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.498 3.709 -9.603 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.245 2.445 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.299 2.643 -8.192 1.00 0.00 H new ATOM 1302 N LYS B 9 1.395 6.149 -5.705 1.00 0.00 N ATOM 1303 CA LYS B 9 1.044 6.920 -4.505 1.00 0.00 C ATOM 1304 C LYS B 9 -0.482 6.932 -4.318 1.00 0.00 C ATOM 1305 O LYS B 9 -1.229 7.226 -5.263 1.00 0.00 O ATOM 1306 CB LYS B 9 1.587 8.351 -4.687 1.00 0.00 C ATOM 1307 CG LYS B 9 1.786 9.207 -3.423 1.00 0.00 C ATOM 1308 CD LYS B 9 0.505 9.636 -2.732 1.00 0.00 C ATOM 1309 CE LYS B 9 0.808 10.551 -1.544 1.00 0.00 C ATOM 1310 NZ LYS B 9 1.579 11.753 -1.947 1.00 0.00 N ATOM 0 H LYS B 9 1.242 6.648 -6.582 1.00 0.00 H new ATOM 0 HA LYS B 9 1.483 6.470 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS B 9 2.546 8.283 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.907 8.886 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS B 9 2.393 8.645 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS B 9 2.353 10.099 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.140 10.155 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.041 8.757 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.127 10.860 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.370 9.995 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.503 12.479 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.578 11.496 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.197 12.128 -2.839 1.00 0.00 H new ATOM 1324 N GLY B 10 -0.938 6.610 -3.115 1.00 0.00 N ATOM 1325 CA GLY B 10 -2.350 6.573 -2.832 1.00 0.00 C ATOM 1326 C GLY B 10 -2.660 5.806 -1.558 1.00 0.00 C ATOM 1327 O GLY B 10 -1.970 5.971 -0.541 1.00 0.00 O ATOM 0 H GLY B 10 -0.341 6.371 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -2.728 7.592 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -2.875 6.112 -3.669 1.00 0.00 H new ATOM 1331 N VAL B 11 -3.683 4.982 -1.612 1.00 0.00 N ATOM 1332 CA VAL B 11 -4.132 4.187 -0.492 1.00 0.00 C ATOM 1333 C VAL B 11 -4.201 2.714 -0.873 1.00 0.00 C ATOM 1334 O VAL B 11 -4.663 2.345 -1.959 1.00 0.00 O ATOM 1335 CB VAL B 11 -5.523 4.674 0.067 1.00 0.00 C ATOM 1336 CG1 VAL B 11 -6.100 3.705 1.093 1.00 0.00 C ATOM 1337 CG2 VAL B 11 -5.381 6.028 0.715 1.00 0.00 C ATOM 0 H VAL B 11 -4.238 4.843 -2.456 1.00 0.00 H new ATOM 0 HA VAL B 11 -3.399 4.315 0.305 1.00 0.00 H new ATOM 0 HB VAL B 11 -6.203 4.727 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -7.058 4.082 1.450 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -6.243 2.728 0.631 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -5.411 3.611 1.933 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -6.349 6.352 1.097 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -4.669 5.965 1.538 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -5.022 6.748 -0.021 1.00 0.00 H new ATOM 1347 N LEU B 12 -3.728 1.910 0.017 1.00 0.00 N ATOM 1348 CA LEU B 12 -3.734 0.485 -0.101 1.00 0.00 C ATOM 1349 C LEU B 12 -4.886 -0.051 0.697 1.00 0.00 C ATOM 1350 O LEU B 12 -5.008 0.272 1.867 1.00 0.00 O ATOM 1351 CB LEU B 12 -2.443 -0.044 0.493 1.00 0.00 C ATOM 1352 CG LEU B 12 -2.380 -1.529 0.821 1.00 0.00 C ATOM 1353 CD1 LEU B 12 -2.505 -2.375 -0.411 1.00 0.00 C ATOM 1354 CD2 LEU B 12 -1.109 -1.826 1.537 1.00 0.00 C ATOM 0 H LEU B 12 -3.307 2.239 0.886 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.825 0.184 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.635 0.182 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.241 0.512 1.408 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.224 -1.775 1.465 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.455 -3.428 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.459 -2.171 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.691 -2.141 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.064 -2.889 1.772 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.263 -1.558 0.904 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.068 -1.248 2.460 1.00 0.00 H new ATOM 1366 N ILE B 13 -5.725 -0.846 0.093 1.00 0.00 N ATOM 1367 CA ILE B 13 -6.817 -1.414 0.826 1.00 0.00 C ATOM 1368 C ILE B 13 -6.791 -2.946 0.813 1.00 0.00 C ATOM 1369 O ILE B 13 -6.526 -3.582 -0.222 1.00 0.00 O ATOM 1370 CB ILE B 13 -8.213 -0.832 0.397 1.00 0.00 C ATOM 1371 CG1 ILE B 13 -9.352 -1.438 1.245 1.00 0.00 C ATOM 1372 CG2 ILE B 13 -8.472 -1.037 -1.085 1.00 0.00 C ATOM 1373 CD1 ILE B 13 -10.707 -0.802 1.020 1.00 0.00 C ATOM 0 H ILE B 13 -5.674 -1.111 -0.891 1.00 0.00 H new ATOM 0 HA ILE B 13 -6.675 -1.109 1.863 1.00 0.00 H new ATOM 0 HB ILE B 13 -8.189 0.242 0.581 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -9.424 -2.503 1.026 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.092 -1.346 2.299 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.446 -0.622 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -7.697 -0.533 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.459 -2.103 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -11.447 -1.288 1.655 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.657 0.258 1.268 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -10.994 -0.917 -0.025 1.00 0.00 H new ATOM 1385 N GLU B 14 -6.937 -3.497 1.993 1.00 0.00 N ATOM 1386 CA GLU B 14 -7.092 -4.912 2.252 1.00 0.00 C ATOM 1387 C GLU B 14 -8.266 -5.052 3.207 1.00 0.00 C ATOM 1388 O GLU B 14 -8.387 -4.243 4.141 1.00 0.00 O ATOM 1389 CB GLU B 14 -5.840 -5.435 2.960 1.00 0.00 C ATOM 1390 CG GLU B 14 -5.964 -6.816 3.627 1.00 0.00 C ATOM 1391 CD GLU B 14 -6.254 -7.948 2.675 1.00 0.00 C ATOM 1392 OE1 GLU B 14 -7.358 -8.009 2.148 1.00 0.00 O ATOM 1393 OE2 GLU B 14 -5.343 -8.783 2.443 1.00 0.00 O ATOM 0 H GLU B 14 -6.952 -2.941 2.848 1.00 0.00 H new ATOM 0 HA GLU B 14 -7.247 -5.465 1.326 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -5.028 -5.477 2.234 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -5.550 -4.711 3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -5.037 -7.033 4.158 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.757 -6.774 4.374 1.00 0.00 H new ATOM 1400 N CYS B 15 -9.079 -6.047 3.006 1.00 0.00 N ATOM 1401 CA CYS B 15 -10.241 -6.312 3.835 1.00 0.00 C ATOM 1402 C CYS B 15 -10.568 -7.759 3.794 1.00 0.00 C ATOM 1403 O CYS B 15 -10.417 -8.466 4.769 1.00 0.00 O ATOM 1404 CB CYS B 15 -11.469 -5.560 3.352 1.00 0.00 C ATOM 1405 SG CYS B 15 -11.364 -3.768 3.507 1.00 0.00 S ATOM 0 H CYS B 15 -8.959 -6.718 2.247 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.990 -5.985 4.844 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -11.644 -5.811 2.306 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -12.336 -5.909 3.913 1.00 0.00 H new ATOM 0 HG CYS B 15 -10.167 -3.435 3.890 1.00 0.00 H new ATOM 1411 N ASP B 16 -11.008 -8.182 2.640 1.00 0.00 N ATOM 1412 CA ASP B 16 -11.479 -9.511 2.389 1.00 0.00 C ATOM 1413 C ASP B 16 -11.691 -9.592 0.892 1.00 0.00 C ATOM 1414 O ASP B 16 -12.028 -8.577 0.277 1.00 0.00 O ATOM 1415 CB ASP B 16 -12.828 -9.745 3.122 1.00 0.00 C ATOM 1416 CG ASP B 16 -13.329 -11.171 3.023 1.00 0.00 C ATOM 1417 OD1 ASP B 16 -13.967 -11.525 2.025 1.00 0.00 O ATOM 1418 OD2 ASP B 16 -13.082 -11.969 3.963 1.00 0.00 O ATOM 0 H ASP B 16 -11.048 -7.582 1.816 1.00 0.00 H new ATOM 0 HA ASP B 16 -10.773 -10.262 2.743 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -12.712 -9.481 4.173 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -13.580 -9.074 2.706 1.00 0.00 H new ATOM 1423 N PRO B 17 -11.482 -10.749 0.267 1.00 0.00 N ATOM 1424 CA PRO B 17 -11.651 -10.929 -1.193 1.00 0.00 C ATOM 1425 C PRO B 17 -13.083 -10.642 -1.679 1.00 0.00 C ATOM 1426 O PRO B 17 -13.316 -10.434 -2.873 1.00 0.00 O ATOM 1427 CB PRO B 17 -11.270 -12.390 -1.390 1.00 0.00 C ATOM 1428 CG PRO B 17 -10.362 -12.638 -0.248 1.00 0.00 C ATOM 1429 CD PRO B 17 -11.020 -11.995 0.887 1.00 0.00 C ATOM 0 HA PRO B 17 -11.045 -10.232 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO B 17 -12.142 -13.044 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO B 17 -10.774 -12.555 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO B 17 -10.224 -13.705 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO B 17 -9.374 -12.214 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO B 17 -11.844 -12.591 1.279 1.00 0.00 H new ATOM 0 HD3 PRO B 17 -10.334 -11.815 1.715 1.00 0.00 H new ATOM 1437 N ALA B 18 -14.024 -10.605 -0.755 1.00 0.00 N ATOM 1438 CA ALA B 18 -15.394 -10.225 -1.052 1.00 0.00 C ATOM 1439 C ALA B 18 -15.430 -8.779 -1.557 1.00 0.00 C ATOM 1440 O ALA B 18 -16.148 -8.432 -2.538 1.00 0.00 O ATOM 1441 CB ALA B 18 -16.199 -10.322 0.211 1.00 0.00 C ATOM 0 H ALA B 18 -13.861 -10.838 0.225 1.00 0.00 H new ATOM 0 HA ALA B 18 -15.803 -10.885 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -17.232 -10.040 0.007 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -16.169 -11.346 0.584 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -15.781 -9.651 0.961 1.00 0.00 H new ATOM 1447 N MET B 19 -14.605 -7.938 -0.916 1.00 0.00 N ATOM 1448 CA MET B 19 -14.527 -6.528 -1.255 1.00 0.00 C ATOM 1449 C MET B 19 -14.053 -6.413 -2.678 1.00 0.00 C ATOM 1450 O MET B 19 -14.517 -5.574 -3.430 1.00 0.00 O ATOM 1451 CB MET B 19 -13.545 -5.746 -0.321 1.00 0.00 C ATOM 1452 CG MET B 19 -12.128 -5.574 -0.891 1.00 0.00 C ATOM 1453 SD MET B 19 -10.984 -4.740 0.196 1.00 0.00 S ATOM 1454 CE MET B 19 -9.508 -4.805 -0.802 1.00 0.00 C ATOM 0 H MET B 19 -13.984 -8.221 -0.158 1.00 0.00 H new ATOM 0 HA MET B 19 -15.516 -6.089 -1.126 1.00 0.00 H new ATOM 0 HB2 MET B 19 -13.964 -4.760 -0.118 1.00 0.00 H new ATOM 0 HB3 MET B 19 -13.479 -6.267 0.634 1.00 0.00 H new ATOM 0 HG2 MET B 19 -11.726 -6.558 -1.133 1.00 0.00 H new ATOM 0 HG3 MET B 19 -12.192 -5.017 -1.826 1.00 0.00 H new ATOM 0 HE1 MET B 19 -8.633 -4.859 -0.154 1.00 0.00 H new ATOM 0 HE2 MET B 19 -9.540 -5.687 -1.442 1.00 0.00 H new ATOM 0 HE3 MET B 19 -9.447 -3.910 -1.421 1.00 0.00 H new ATOM 1464 N LYS B 20 -13.165 -7.336 -3.049 1.00 0.00 N ATOM 1465 CA LYS B 20 -12.532 -7.333 -4.327 1.00 0.00 C ATOM 1466 C LYS B 20 -13.544 -7.381 -5.426 1.00 0.00 C ATOM 1467 O LYS B 20 -13.497 -6.581 -6.372 1.00 0.00 O ATOM 1468 CB LYS B 20 -11.599 -8.534 -4.483 1.00 0.00 C ATOM 1469 CG LYS B 20 -10.125 -8.208 -4.600 1.00 0.00 C ATOM 1470 CD LYS B 20 -9.861 -7.122 -5.628 1.00 0.00 C ATOM 1471 CE LYS B 20 -10.619 -7.314 -6.925 1.00 0.00 C ATOM 1472 NZ LYS B 20 -10.482 -6.129 -7.756 1.00 0.00 N ATOM 0 H LYS B 20 -12.875 -8.108 -2.448 1.00 0.00 H new ATOM 0 HA LYS B 20 -11.957 -6.409 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -11.740 -9.194 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.900 -9.093 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.747 -7.888 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -9.576 -9.108 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -10.129 -6.156 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -8.793 -7.090 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -10.237 -8.187 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.672 -7.504 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -11.419 -5.833 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -10.058 -5.361 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -9.871 -6.344 -8.569 1.00 0.00 H new ATOM 1486 N GLN B 21 -14.436 -8.291 -5.291 1.00 0.00 N ATOM 1487 CA GLN B 21 -15.445 -8.531 -6.264 1.00 0.00 C ATOM 1488 C GLN B 21 -16.343 -7.321 -6.443 1.00 0.00 C ATOM 1489 O GLN B 21 -16.610 -6.913 -7.590 1.00 0.00 O ATOM 1490 CB GLN B 21 -16.197 -9.772 -5.892 1.00 0.00 C ATOM 1491 CG GLN B 21 -15.310 -11.009 -5.885 1.00 0.00 C ATOM 1492 CD GLN B 21 -14.818 -11.391 -7.261 1.00 0.00 C ATOM 1493 OE1 GLN B 21 -13.622 -11.000 -7.601 1.00 0.00 O flip ATOM 1494 NE2 GLN B 21 -15.497 -12.105 -7.992 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.489 -8.908 -4.481 1.00 0.00 H new ATOM 0 HA GLN B 21 -14.985 -8.696 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -16.642 -9.642 -4.905 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.017 -9.921 -6.594 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.453 -10.831 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -15.865 -11.845 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -16.430 -12.395 -7.698 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -15.129 -12.409 -8.893 1.00 0.00 H new ATOM 1503 N PHE B 22 -16.763 -6.690 -5.342 1.00 0.00 N ATOM 1504 CA PHE B 22 -17.535 -5.474 -5.526 1.00 0.00 C ATOM 1505 C PHE B 22 -16.690 -4.336 -6.118 1.00 0.00 C ATOM 1506 O PHE B 22 -17.174 -3.581 -6.930 1.00 0.00 O ATOM 1507 CB PHE B 22 -18.448 -5.038 -4.337 1.00 0.00 C ATOM 1508 CG PHE B 22 -17.810 -4.614 -3.036 1.00 0.00 C ATOM 1509 CD1 PHE B 22 -17.159 -3.392 -2.923 1.00 0.00 C ATOM 1510 CD2 PHE B 22 -17.927 -5.409 -1.910 1.00 0.00 C ATOM 1511 CE1 PHE B 22 -16.632 -2.979 -1.715 1.00 0.00 C ATOM 1512 CE2 PHE B 22 -17.395 -5.002 -0.700 1.00 0.00 C ATOM 1513 CZ PHE B 22 -16.748 -3.785 -0.603 1.00 0.00 C ATOM 0 H PHE B 22 -16.594 -6.980 -4.379 1.00 0.00 H new ATOM 0 HA PHE B 22 -18.277 -5.747 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE B 22 -19.066 -4.210 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE B 22 -19.120 -5.868 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE B 22 -17.064 -2.757 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE B 22 -18.439 -6.357 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE B 22 -16.130 -2.026 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE B 22 -17.485 -5.636 0.170 1.00 0.00 H new ATOM 0 HZ PHE B 22 -16.334 -3.466 0.342 1.00 0.00 H new ATOM 1523 N LEU B 23 -15.406 -4.262 -5.742 1.00 0.00 N ATOM 1524 CA LEU B 23 -14.491 -3.219 -6.256 1.00 0.00 C ATOM 1525 C LEU B 23 -14.331 -3.279 -7.742 1.00 0.00 C ATOM 1526 O LEU B 23 -14.457 -2.270 -8.407 1.00 0.00 O ATOM 1527 CB LEU B 23 -13.109 -3.296 -5.609 1.00 0.00 C ATOM 1528 CG LEU B 23 -13.063 -3.117 -4.107 1.00 0.00 C ATOM 1529 CD1 LEU B 23 -11.666 -3.295 -3.597 1.00 0.00 C ATOM 1530 CD2 LEU B 23 -13.635 -1.785 -3.654 1.00 0.00 C ATOM 0 H LEU B 23 -14.972 -4.909 -5.084 1.00 0.00 H new ATOM 0 HA LEU B 23 -14.959 -2.271 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -12.670 -4.264 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -12.475 -2.535 -6.064 1.00 0.00 H new ATOM 0 HG LEU B 23 -13.699 -3.892 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -11.654 -3.162 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -11.313 -4.296 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -11.013 -2.556 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -13.575 -1.714 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -13.064 -0.972 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -14.677 -1.712 -3.965 1.00 0.00 H new ATOM 1542 N LEU B 24 -14.084 -4.447 -8.275 1.00 0.00 N ATOM 1543 CA LEU B 24 -13.865 -4.544 -9.699 1.00 0.00 C ATOM 1544 C LEU B 24 -15.115 -4.223 -10.494 1.00 0.00 C ATOM 1545 O LEU B 24 -15.052 -3.480 -11.471 1.00 0.00 O ATOM 1546 CB LEU B 24 -13.169 -5.854 -10.102 1.00 0.00 C ATOM 1547 CG LEU B 24 -13.708 -7.163 -9.520 1.00 0.00 C ATOM 1548 CD1 LEU B 24 -14.872 -7.703 -10.272 1.00 0.00 C ATOM 1549 CD2 LEU B 24 -12.630 -8.181 -9.442 1.00 0.00 C ATOM 0 H LEU B 24 -14.030 -5.327 -7.762 1.00 0.00 H new ATOM 0 HA LEU B 24 -13.153 -3.764 -9.970 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -13.206 -5.931 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -12.118 -5.773 -9.824 1.00 0.00 H new ATOM 0 HG LEU B 24 -14.064 -6.930 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -15.206 -8.631 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -15.684 -6.977 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -14.580 -7.898 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -13.032 -9.105 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -12.238 -8.373 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -11.828 -7.813 -8.802 1.00 0.00 H new ATOM 1561 N TYR B 25 -16.251 -4.712 -10.021 1.00 0.00 N ATOM 1562 CA TYR B 25 -17.526 -4.451 -10.663 1.00 0.00 C ATOM 1563 C TYR B 25 -17.937 -2.982 -10.538 1.00 0.00 C ATOM 1564 O TYR B 25 -18.427 -2.377 -11.507 1.00 0.00 O ATOM 1565 CB TYR B 25 -18.618 -5.367 -10.097 1.00 0.00 C ATOM 1566 CG TYR B 25 -20.021 -5.017 -10.559 1.00 0.00 C ATOM 1567 CD1 TYR B 25 -20.410 -5.175 -11.886 1.00 0.00 C ATOM 1568 CD2 TYR B 25 -20.955 -4.512 -9.661 1.00 0.00 C ATOM 1569 CE1 TYR B 25 -21.683 -4.845 -12.296 1.00 0.00 C ATOM 1570 CE2 TYR B 25 -22.226 -4.183 -10.065 1.00 0.00 C ATOM 1571 CZ TYR B 25 -22.586 -4.353 -11.382 1.00 0.00 C ATOM 1572 OH TYR B 25 -23.856 -4.033 -11.784 1.00 0.00 O ATOM 0 H TYR B 25 -16.313 -5.296 -9.187 1.00 0.00 H new ATOM 0 HA TYR B 25 -17.405 -4.668 -11.724 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -18.399 -6.396 -10.383 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -18.584 -5.325 -9.008 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -19.703 -5.562 -12.605 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -20.676 -4.376 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -21.971 -4.972 -13.329 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -22.938 -3.793 -9.353 1.00 0.00 H new ATOM 0 HH TYR B 25 -24.368 -3.701 -11.017 1.00 0.00 H new ATOM 1582 N LEU B 26 -17.741 -2.411 -9.369 1.00 0.00 N ATOM 1583 CA LEU B 26 -18.143 -1.043 -9.112 1.00 0.00 C ATOM 1584 C LEU B 26 -17.236 -0.107 -9.905 1.00 0.00 C ATOM 1585 O LEU B 26 -17.676 0.907 -10.391 1.00 0.00 O ATOM 1586 CB LEU B 26 -18.127 -0.742 -7.587 1.00 0.00 C ATOM 1587 CG LEU B 26 -19.093 0.332 -7.022 1.00 0.00 C ATOM 1588 CD1 LEU B 26 -18.836 1.721 -7.579 1.00 0.00 C ATOM 1589 CD2 LEU B 26 -20.543 -0.085 -7.226 1.00 0.00 C ATOM 0 H LEU B 26 -17.302 -2.877 -8.575 1.00 0.00 H new ATOM 0 HA LEU B 26 -19.169 -0.884 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -18.333 -1.677 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.113 -0.445 -7.321 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.895 0.396 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -19.545 2.425 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -17.820 2.030 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -18.958 1.707 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -21.203 0.683 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -20.740 -0.209 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -20.726 -1.028 -6.711 1.00 0.00 H new ATOM 1601 N ASP B 27 -15.981 -0.486 -10.065 1.00 0.00 N ATOM 1602 CA ASP B 27 -15.037 0.283 -10.884 1.00 0.00 C ATOM 1603 C ASP B 27 -15.502 0.292 -12.350 1.00 0.00 C ATOM 1604 O ASP B 27 -15.387 1.296 -13.054 1.00 0.00 O ATOM 1605 CB ASP B 27 -13.636 -0.323 -10.774 1.00 0.00 C ATOM 1606 CG ASP B 27 -12.564 0.451 -11.523 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -11.946 1.373 -10.931 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -12.291 0.113 -12.702 1.00 0.00 O ATOM 0 H ASP B 27 -15.583 -1.323 -9.640 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.003 1.310 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.359 -0.381 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.663 -1.345 -11.153 1.00 0.00 H new ATOM 1613 N GLU B 28 -16.076 -0.830 -12.784 1.00 0.00 N ATOM 1614 CA GLU B 28 -16.574 -0.985 -14.155 1.00 0.00 C ATOM 1615 C GLU B 28 -17.861 -0.201 -14.403 1.00 0.00 C ATOM 1616 O GLU B 28 -18.017 0.432 -15.448 1.00 0.00 O ATOM 1617 CB GLU B 28 -16.824 -2.455 -14.490 1.00 0.00 C ATOM 1618 CG GLU B 28 -15.586 -3.312 -14.488 1.00 0.00 C ATOM 1619 CD GLU B 28 -15.854 -4.734 -14.913 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -16.292 -4.958 -16.073 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -15.636 -5.659 -14.123 1.00 0.00 O ATOM 0 H GLU B 28 -16.210 -1.655 -12.200 1.00 0.00 H new ATOM 0 HA GLU B 28 -15.794 -0.584 -14.802 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -17.535 -2.863 -13.772 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -17.292 -2.517 -15.472 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -14.845 -2.872 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -15.153 -3.313 -13.488 1.00 0.00 H new ATOM 1628 N SER B 29 -18.769 -0.249 -13.467 1.00 0.00 N ATOM 1629 CA SER B 29 -20.062 0.392 -13.634 1.00 0.00 C ATOM 1630 C SER B 29 -20.039 1.866 -13.163 1.00 0.00 C ATOM 1631 O SER B 29 -20.832 2.700 -13.616 1.00 0.00 O ATOM 1632 CB SER B 29 -21.123 -0.441 -12.909 1.00 0.00 C ATOM 1633 OG SER B 29 -20.673 -0.789 -11.597 1.00 0.00 O ATOM 0 H SER B 29 -18.645 -0.726 -12.574 1.00 0.00 H new ATOM 0 HA SER B 29 -20.314 0.431 -14.694 1.00 0.00 H new ATOM 0 HB2 SER B 29 -22.054 0.122 -12.844 1.00 0.00 H new ATOM 0 HB3 SER B 29 -21.336 -1.345 -13.479 1.00 0.00 H new ATOM 0 HG SER B 29 -19.967 -1.465 -11.662 1.00 0.00 H new ATOM 1639 N ASN B 30 -19.108 2.144 -12.267 1.00 0.00 N ATOM 1640 CA ASN B 30 -18.813 3.454 -11.667 1.00 0.00 C ATOM 1641 C ASN B 30 -19.987 4.332 -11.244 1.00 0.00 C ATOM 1642 O ASN B 30 -20.309 5.327 -11.893 1.00 0.00 O ATOM 1643 CB ASN B 30 -17.647 4.253 -12.331 1.00 0.00 C ATOM 1644 CG ASN B 30 -17.785 4.610 -13.823 1.00 0.00 C ATOM 1645 OD1 ASN B 30 -16.791 4.703 -14.516 1.00 0.00 O ATOM 1646 ND2 ASN B 30 -18.971 4.832 -14.313 1.00 0.00 N ATOM 0 H ASN B 30 -18.490 1.417 -11.908 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.427 3.115 -10.706 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -17.516 5.181 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -16.731 3.675 -12.207 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -19.077 5.089 -15.294 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -19.793 4.749 -13.715 1.00 0.00 H new ATOM 1653 N ALA B 31 -20.615 3.954 -10.147 1.00 0.00 N ATOM 1654 CA ALA B 31 -21.671 4.753 -9.501 1.00 0.00 C ATOM 1655 C ALA B 31 -21.071 6.017 -8.908 1.00 0.00 C ATOM 1656 O ALA B 31 -21.741 7.030 -8.693 1.00 0.00 O ATOM 1657 CB ALA B 31 -22.373 3.948 -8.425 1.00 0.00 C ATOM 0 H ALA B 31 -20.414 3.078 -9.665 1.00 0.00 H new ATOM 0 HA ALA B 31 -22.409 5.028 -10.254 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -23.148 4.558 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -22.826 3.062 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -21.650 3.644 -7.668 1.00 0.00 H new ATOM 1663 N LEU B 32 -19.792 5.938 -8.659 1.00 0.00 N ATOM 1664 CA LEU B 32 -19.028 7.019 -8.087 1.00 0.00 C ATOM 1665 C LEU B 32 -18.640 8.009 -9.178 1.00 0.00 C ATOM 1666 O LEU B 32 -18.234 9.124 -8.898 1.00 0.00 O ATOM 1667 CB LEU B 32 -17.772 6.427 -7.460 1.00 0.00 C ATOM 1668 CG LEU B 32 -18.013 5.418 -6.352 1.00 0.00 C ATOM 1669 CD1 LEU B 32 -16.753 4.653 -6.067 1.00 0.00 C ATOM 1670 CD2 LEU B 32 -18.475 6.121 -5.103 1.00 0.00 C ATOM 0 H LEU B 32 -19.238 5.103 -8.851 1.00 0.00 H new ATOM 0 HA LEU B 32 -19.617 7.543 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.186 5.948 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -17.166 7.241 -7.062 1.00 0.00 H new ATOM 0 HG LEU B 32 -18.787 4.722 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -16.937 3.932 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -16.436 4.126 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -15.970 5.345 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -18.645 5.388 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -17.712 6.830 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -19.403 6.655 -5.308 1.00 0.00 H new ATOM 1682 N GLY B 33 -18.778 7.582 -10.429 1.00 0.00 N ATOM 1683 CA GLY B 33 -18.450 8.430 -11.563 1.00 0.00 C ATOM 1684 C GLY B 33 -16.965 8.566 -11.784 1.00 0.00 C ATOM 1685 O GLY B 33 -16.524 9.338 -12.633 1.00 0.00 O ATOM 0 H GLY B 33 -19.115 6.653 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -18.910 8.020 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -18.881 9.419 -11.407 1.00 0.00 H new ATOM 1689 N LYS B 34 -16.209 7.831 -11.020 1.00 0.00 N ATOM 1690 CA LYS B 34 -14.778 7.818 -11.094 1.00 0.00 C ATOM 1691 C LYS B 34 -14.352 6.384 -10.934 1.00 0.00 C ATOM 1692 O LYS B 34 -15.169 5.543 -10.521 1.00 0.00 O ATOM 1693 CB LYS B 34 -14.145 8.662 -9.959 1.00 0.00 C ATOM 1694 CG LYS B 34 -14.534 10.142 -9.930 1.00 0.00 C ATOM 1695 CD LYS B 34 -13.799 10.873 -8.811 1.00 0.00 C ATOM 1696 CE LYS B 34 -14.151 12.358 -8.752 1.00 0.00 C ATOM 1697 NZ LYS B 34 -15.565 12.602 -8.368 1.00 0.00 N ATOM 0 H LYS B 34 -16.584 7.205 -10.307 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.451 8.244 -12.043 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.420 8.215 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.060 8.593 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.298 10.604 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.610 10.237 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -14.042 10.407 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -12.724 10.763 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -13.495 12.854 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -13.961 12.810 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.729 13.625 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.195 12.213 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -15.763 12.139 -7.458 1.00 0.00 H new ATOM 1711 N LYS B 35 -13.128 6.094 -11.254 1.00 0.00 N ATOM 1712 CA LYS B 35 -12.594 4.798 -11.086 1.00 0.00 C ATOM 1713 C LYS B 35 -11.765 4.832 -9.857 1.00 0.00 C ATOM 1714 O LYS B 35 -11.424 5.916 -9.356 1.00 0.00 O ATOM 1715 CB LYS B 35 -11.737 4.356 -12.274 1.00 0.00 C ATOM 1716 CG LYS B 35 -12.457 4.066 -13.596 1.00 0.00 C ATOM 1717 CD LYS B 35 -13.087 5.295 -14.218 1.00 0.00 C ATOM 1718 CE LYS B 35 -13.551 5.022 -15.634 1.00 0.00 C ATOM 1719 NZ LYS B 35 -14.540 3.938 -15.713 1.00 0.00 N ATOM 0 H LYS B 35 -12.470 6.769 -11.644 1.00 0.00 H new ATOM 0 HA LYS B 35 -13.410 4.079 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -10.993 5.131 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -11.195 3.457 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -11.747 3.634 -14.301 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -13.230 3.318 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -13.934 5.618 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -12.367 6.113 -14.221 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -13.983 5.932 -16.051 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -12.689 4.766 -16.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -14.958 3.918 -16.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -14.074 3.028 -15.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -15.289 4.099 -15.010 1.00 0.00 H new ATOM 1733 N PHE B 36 -11.412 3.709 -9.388 1.00 0.00 N ATOM 1734 CA PHE B 36 -10.704 3.648 -8.144 1.00 0.00 C ATOM 1735 C PHE B 36 -9.702 2.515 -8.069 1.00 0.00 C ATOM 1736 O PHE B 36 -8.561 2.738 -7.677 1.00 0.00 O ATOM 1737 CB PHE B 36 -11.680 3.647 -6.953 1.00 0.00 C ATOM 1738 CG PHE B 36 -12.705 2.560 -6.977 1.00 0.00 C ATOM 1739 CD1 PHE B 36 -13.926 2.756 -7.592 1.00 0.00 C ATOM 1740 CD2 PHE B 36 -12.447 1.349 -6.385 1.00 0.00 C ATOM 1741 CE1 PHE B 36 -14.861 1.756 -7.609 1.00 0.00 C ATOM 1742 CE2 PHE B 36 -13.375 0.356 -6.402 1.00 0.00 C ATOM 1743 CZ PHE B 36 -14.577 0.553 -7.010 1.00 0.00 C ATOM 0 H PHE B 36 -11.592 2.808 -9.832 1.00 0.00 H new ATOM 0 HA PHE B 36 -10.104 4.556 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.104 3.563 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -12.193 4.608 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.144 3.703 -8.062 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.496 1.183 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.815 1.912 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.158 -0.592 -5.932 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.310 -0.240 -7.021 1.00 0.00 H new ATOM 1753 N ILE B 37 -10.093 1.308 -8.451 1.00 0.00 N ATOM 1754 CA ILE B 37 -9.169 0.214 -8.352 1.00 0.00 C ATOM 1755 C ILE B 37 -8.219 0.217 -9.529 1.00 0.00 C ATOM 1756 O ILE B 37 -8.575 -0.102 -10.669 1.00 0.00 O ATOM 1757 CB ILE B 37 -9.845 -1.201 -7.944 1.00 0.00 C ATOM 1758 CG1 ILE B 37 -8.983 -2.461 -8.170 1.00 0.00 C ATOM 1759 CG2 ILE B 37 -11.229 -1.418 -8.466 1.00 0.00 C ATOM 1760 CD1 ILE B 37 -8.896 -2.938 -9.605 1.00 0.00 C ATOM 0 H ILE B 37 -11.015 1.076 -8.820 1.00 0.00 H new ATOM 0 HA ILE B 37 -8.535 0.374 -7.480 1.00 0.00 H new ATOM 0 HB ILE B 37 -9.917 -1.073 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -7.974 -2.260 -7.810 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -9.384 -3.270 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -11.593 -2.392 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -11.888 -0.638 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -11.217 -1.383 -9.555 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -8.268 -3.828 -9.655 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -9.895 -3.178 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -8.463 -2.152 -10.224 1.00 0.00 H new ATOM 1772 N ILE B 38 -7.019 0.657 -9.244 1.00 0.00 N ATOM 1773 CA ILE B 38 -5.992 0.809 -10.236 1.00 0.00 C ATOM 1774 C ILE B 38 -5.328 -0.505 -10.510 1.00 0.00 C ATOM 1775 O ILE B 38 -5.285 -0.973 -11.653 1.00 0.00 O ATOM 1776 CB ILE B 38 -4.932 1.829 -9.755 1.00 0.00 C ATOM 1777 CG1 ILE B 38 -5.538 3.244 -9.674 1.00 0.00 C ATOM 1778 CG2 ILE B 38 -3.677 1.778 -10.628 1.00 0.00 C ATOM 1779 CD1 ILE B 38 -4.593 4.309 -9.149 1.00 0.00 C ATOM 0 H ILE B 38 -6.727 0.922 -8.303 1.00 0.00 H new ATOM 0 HA ILE B 38 -6.455 1.172 -11.153 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.619 1.555 -8.748 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.878 3.537 -10.668 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -6.419 3.211 -9.033 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.951 2.506 -10.265 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.243 0.779 -10.583 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.941 2.013 -11.659 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -5.105 5.271 -9.127 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.272 4.046 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.722 4.376 -9.801 1.00 0.00 H new ATOM 1791 N GLN B 39 -4.843 -1.123 -9.478 1.00 0.00 N ATOM 1792 CA GLN B 39 -4.210 -2.363 -9.649 1.00 0.00 C ATOM 1793 C GLN B 39 -4.573 -3.299 -8.580 1.00 0.00 C ATOM 1794 O GLN B 39 -4.725 -2.912 -7.403 1.00 0.00 O ATOM 1795 CB GLN B 39 -2.686 -2.277 -9.855 1.00 0.00 C ATOM 1796 CG GLN B 39 -1.887 -1.667 -8.720 1.00 0.00 C ATOM 1797 CD GLN B 39 -0.387 -1.784 -8.976 1.00 0.00 C ATOM 1798 OE1 GLN B 39 0.216 -0.899 -9.562 1.00 0.00 O ATOM 1799 NE2 GLN B 39 0.205 -2.901 -8.582 1.00 0.00 N ATOM 0 H GLN B 39 -4.880 -0.779 -8.518 1.00 0.00 H new ATOM 0 HA GLN B 39 -4.591 -2.759 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.308 -3.283 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.495 -1.697 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -2.158 -0.618 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.139 -2.167 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -0.332 -3.618 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN B 39 1.198 -3.044 -8.766 1.00 0.00 H new ATOM 1808 N ASP B 40 -4.774 -4.502 -8.985 1.00 0.00 N ATOM 1809 CA ASP B 40 -5.065 -5.560 -8.101 1.00 0.00 C ATOM 1810 C ASP B 40 -3.749 -6.071 -7.598 1.00 0.00 C ATOM 1811 O ASP B 40 -2.995 -6.720 -8.331 1.00 0.00 O ATOM 1812 CB ASP B 40 -5.782 -6.710 -8.811 1.00 0.00 C ATOM 1813 CG ASP B 40 -7.110 -6.343 -9.407 1.00 0.00 C ATOM 1814 OD1 ASP B 40 -8.118 -6.423 -8.704 1.00 0.00 O ATOM 1815 OD2 ASP B 40 -7.176 -6.022 -10.620 1.00 0.00 O ATOM 0 H ASP B 40 -4.739 -4.779 -9.966 1.00 0.00 H new ATOM 0 HA ASP B 40 -5.715 -5.199 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -5.136 -7.091 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -5.929 -7.523 -8.100 1.00 0.00 H new ATOM 1820 N ILE B 41 -3.433 -5.708 -6.427 1.00 0.00 N ATOM 1821 CA ILE B 41 -2.244 -6.157 -5.777 1.00 0.00 C ATOM 1822 C ILE B 41 -2.626 -7.412 -5.024 1.00 0.00 C ATOM 1823 O ILE B 41 -3.381 -7.365 -4.091 1.00 0.00 O ATOM 1824 CB ILE B 41 -1.637 -5.031 -4.873 1.00 0.00 C ATOM 1825 CG1 ILE B 41 -2.723 -4.062 -4.412 1.00 0.00 C ATOM 1826 CG2 ILE B 41 -0.542 -4.255 -5.590 1.00 0.00 C ATOM 1827 CD1 ILE B 41 -2.205 -2.844 -3.721 1.00 0.00 C ATOM 0 H ILE B 41 -3.998 -5.073 -5.864 1.00 0.00 H new ATOM 0 HA ILE B 41 -1.448 -6.389 -6.484 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.197 -5.525 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -3.309 -3.753 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -3.401 -4.587 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -0.149 -3.484 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE B 41 0.261 -4.936 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -0.953 -3.788 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -3.041 -2.210 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -1.644 -3.140 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -1.551 -2.293 -4.397 1.00 0.00 H new ATOM 1839 N ASP B 42 -2.143 -8.526 -5.509 1.00 0.00 N ATOM 1840 CA ASP B 42 -2.607 -9.871 -5.139 1.00 0.00 C ATOM 1841 C ASP B 42 -4.016 -9.975 -5.743 1.00 0.00 C ATOM 1842 O ASP B 42 -4.342 -9.222 -6.672 1.00 0.00 O ATOM 1843 CB ASP B 42 -2.600 -10.077 -3.584 1.00 0.00 C ATOM 1844 CG ASP B 42 -2.953 -11.478 -3.113 1.00 0.00 C ATOM 1845 OD1 ASP B 42 -2.096 -12.368 -3.103 1.00 0.00 O ATOM 1846 OD2 ASP B 42 -4.112 -11.702 -2.727 1.00 0.00 O ATOM 0 H ASP B 42 -1.390 -8.541 -6.197 1.00 0.00 H new ATOM 0 HA ASP B 42 -1.953 -10.656 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -1.610 -9.823 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -3.303 -9.374 -3.138 1.00 0.00 H new ATOM 1851 N ASP B 43 -4.826 -10.859 -5.293 1.00 0.00 N ATOM 1852 CA ASP B 43 -6.192 -10.901 -5.764 1.00 0.00 C ATOM 1853 C ASP B 43 -7.072 -10.494 -4.616 1.00 0.00 C ATOM 1854 O ASP B 43 -8.283 -10.690 -4.624 1.00 0.00 O ATOM 1855 CB ASP B 43 -6.578 -12.288 -6.311 1.00 0.00 C ATOM 1856 CG ASP B 43 -6.559 -13.380 -5.279 1.00 0.00 C ATOM 1857 OD1 ASP B 43 -5.455 -13.887 -4.950 1.00 0.00 O ATOM 1858 OD2 ASP B 43 -7.641 -13.795 -4.807 1.00 0.00 O ATOM 0 H ASP B 43 -4.585 -11.569 -4.601 1.00 0.00 H new ATOM 0 HA ASP B 43 -6.316 -10.216 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP B 43 -7.576 -12.231 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP B 43 -5.894 -12.552 -7.117 1.00 0.00 H new ATOM 1863 N THR B 44 -6.434 -9.885 -3.628 1.00 0.00 N ATOM 1864 CA THR B 44 -7.112 -9.437 -2.455 1.00 0.00 C ATOM 1865 C THR B 44 -6.860 -7.941 -2.190 1.00 0.00 C ATOM 1866 O THR B 44 -7.753 -7.240 -1.737 1.00 0.00 O ATOM 1867 CB THR B 44 -6.674 -10.251 -1.225 1.00 0.00 C ATOM 1868 OG1 THR B 44 -6.541 -11.640 -1.598 1.00 0.00 O ATOM 1869 CG2 THR B 44 -7.722 -10.130 -0.119 1.00 0.00 C ATOM 0 H THR B 44 -5.432 -9.695 -3.632 1.00 0.00 H new ATOM 0 HA THR B 44 -8.178 -9.585 -2.628 1.00 0.00 H new ATOM 0 HB THR B 44 -5.720 -9.867 -0.862 1.00 0.00 H new ATOM 0 HG1 THR B 44 -5.606 -11.831 -1.821 1.00 0.00 H new ATOM 0 HG21 THR B 44 -7.404 -10.709 0.748 1.00 0.00 H new ATOM 0 HG22 THR B 44 -7.833 -9.083 0.164 1.00 0.00 H new ATOM 0 HG23 THR B 44 -8.677 -10.511 -0.480 1.00 0.00 H new ATOM 1877 N HIS B 45 -5.666 -7.426 -2.514 1.00 0.00 N ATOM 1878 CA HIS B 45 -5.388 -6.031 -2.187 1.00 0.00 C ATOM 1879 C HIS B 45 -5.722 -5.169 -3.356 1.00 0.00 C ATOM 1880 O HIS B 45 -5.612 -5.582 -4.508 1.00 0.00 O ATOM 1881 CB HIS B 45 -3.924 -5.799 -1.732 1.00 0.00 C ATOM 1882 CG HIS B 45 -3.583 -6.449 -0.430 1.00 0.00 C ATOM 1883 ND1 HIS B 45 -3.370 -5.744 0.728 1.00 0.00 N ATOM 1884 CD2 HIS B 45 -3.457 -7.756 -0.097 1.00 0.00 C ATOM 1885 CE1 HIS B 45 -3.141 -6.587 1.717 1.00 0.00 C ATOM 1886 NE2 HIS B 45 -3.190 -7.815 1.245 1.00 0.00 N ATOM 0 H HIS B 45 -4.912 -7.930 -2.980 1.00 0.00 H new ATOM 0 HA HIS B 45 -6.017 -5.761 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS B 45 -3.251 -6.176 -2.502 1.00 0.00 H new ATOM 0 HB3 HIS B 45 -3.745 -4.727 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS B 45 -3.550 -8.598 -0.767 1.00 0.00 H new ATOM 0 HE1 HIS B 45 -2.946 -6.315 2.744 1.00 0.00 H new ATOM 0 HE2 HIS B 45 -3.052 -8.668 1.788 1.00 0.00 H new ATOM 1895 N VAL B 46 -6.154 -4.003 -3.083 1.00 0.00 N ATOM 1896 CA VAL B 46 -6.501 -3.074 -4.102 1.00 0.00 C ATOM 1897 C VAL B 46 -5.811 -1.773 -3.859 1.00 0.00 C ATOM 1898 O VAL B 46 -5.620 -1.366 -2.705 1.00 0.00 O ATOM 1899 CB VAL B 46 -8.046 -2.898 -4.186 1.00 0.00 C ATOM 1900 CG1 VAL B 46 -8.454 -1.578 -4.838 1.00 0.00 C ATOM 1901 CG2 VAL B 46 -8.622 -4.049 -4.973 1.00 0.00 C ATOM 0 H VAL B 46 -6.282 -3.652 -2.134 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.168 -3.461 -5.065 1.00 0.00 H new ATOM 0 HB VAL B 46 -8.436 -2.884 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -9.541 -1.509 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -8.054 -0.747 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -8.058 -1.535 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -9.704 -3.939 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -8.195 -4.054 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -8.383 -4.987 -4.473 1.00 0.00 H new ATOM 1911 N PHE B 47 -5.361 -1.170 -4.915 1.00 0.00 N ATOM 1912 CA PHE B 47 -4.790 0.112 -4.823 1.00 0.00 C ATOM 1913 C PHE B 47 -5.752 1.126 -5.395 1.00 0.00 C ATOM 1914 O PHE B 47 -6.316 0.916 -6.484 1.00 0.00 O ATOM 1915 CB PHE B 47 -3.472 0.184 -5.557 1.00 0.00 C ATOM 1916 CG PHE B 47 -2.784 1.467 -5.308 1.00 0.00 C ATOM 1917 CD1 PHE B 47 -2.091 1.667 -4.130 1.00 0.00 C ATOM 1918 CD2 PHE B 47 -2.851 2.478 -6.225 1.00 0.00 C ATOM 1919 CE1 PHE B 47 -1.476 2.860 -3.879 1.00 0.00 C ATOM 1920 CE2 PHE B 47 -2.236 3.679 -5.981 1.00 0.00 C ATOM 1921 CZ PHE B 47 -1.550 3.865 -4.808 1.00 0.00 C ATOM 0 H PHE B 47 -5.385 -1.562 -5.856 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.598 0.329 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -2.833 -0.640 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.643 0.063 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.035 0.872 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.392 2.330 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.936 3.010 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.292 4.475 -6.709 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.065 4.810 -4.615 1.00 0.00 H new ATOM 1931 N VAL B 48 -5.922 2.193 -4.677 1.00 0.00 N ATOM 1932 CA VAL B 48 -6.774 3.289 -5.048 1.00 0.00 C ATOM 1933 C VAL B 48 -6.016 4.574 -4.708 1.00 0.00 C ATOM 1934 O VAL B 48 -5.056 4.522 -3.961 1.00 0.00 O ATOM 1935 CB VAL B 48 -8.134 3.198 -4.267 1.00 0.00 C ATOM 1936 CG1 VAL B 48 -7.923 3.167 -2.758 1.00 0.00 C ATOM 1937 CG2 VAL B 48 -9.082 4.317 -4.642 1.00 0.00 C ATOM 0 H VAL B 48 -5.455 2.333 -3.781 1.00 0.00 H new ATOM 0 HA VAL B 48 -7.016 3.268 -6.111 1.00 0.00 H new ATOM 0 HB VAL B 48 -8.593 2.255 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -8.889 3.104 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.319 2.299 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -7.410 4.076 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.009 4.213 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.621 5.277 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -9.300 4.267 -5.709 1.00 0.00 H new ATOM 1947 N ILE B 49 -6.391 5.695 -5.264 1.00 0.00 N ATOM 1948 CA ILE B 49 -5.703 6.920 -4.926 1.00 0.00 C ATOM 1949 C ILE B 49 -6.367 7.544 -3.694 1.00 0.00 C ATOM 1950 O ILE B 49 -7.587 7.426 -3.502 1.00 0.00 O ATOM 1951 CB ILE B 49 -5.613 7.920 -6.110 1.00 0.00 C ATOM 1952 CG1 ILE B 49 -4.627 9.060 -5.775 1.00 0.00 C ATOM 1953 CG2 ILE B 49 -6.986 8.454 -6.510 1.00 0.00 C ATOM 1954 CD1 ILE B 49 -4.501 10.123 -6.845 1.00 0.00 C ATOM 0 H ILE B 49 -7.151 5.790 -5.938 1.00 0.00 H new ATOM 0 HA ILE B 49 -4.668 6.672 -4.692 1.00 0.00 H new ATOM 0 HB ILE B 49 -5.228 7.384 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -4.944 9.535 -4.846 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -3.643 8.629 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.877 9.150 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -7.625 7.624 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.437 8.969 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -3.788 10.881 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -4.152 9.667 -7.771 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.473 10.587 -7.013 1.00 0.00 H new ATOM 1966 N ALA B 50 -5.578 8.212 -2.882 1.00 0.00 N ATOM 1967 CA ALA B 50 -6.011 8.671 -1.578 1.00 0.00 C ATOM 1968 C ALA B 50 -7.108 9.733 -1.597 1.00 0.00 C ATOM 1969 O ALA B 50 -7.937 9.790 -0.680 1.00 0.00 O ATOM 1970 CB ALA B 50 -4.831 9.134 -0.759 1.00 0.00 C ATOM 0 H ALA B 50 -4.613 8.454 -3.107 1.00 0.00 H new ATOM 0 HA ALA B 50 -6.471 7.801 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.177 9.475 0.217 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -4.132 8.308 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -4.330 9.954 -1.273 1.00 0.00 H new ATOM 1976 N GLU B 51 -7.142 10.540 -2.630 1.00 0.00 N ATOM 1977 CA GLU B 51 -8.084 11.651 -2.673 1.00 0.00 C ATOM 1978 C GLU B 51 -9.542 11.215 -2.834 1.00 0.00 C ATOM 1979 O GLU B 51 -10.449 11.937 -2.428 1.00 0.00 O ATOM 1980 CB GLU B 51 -7.714 12.657 -3.742 1.00 0.00 C ATOM 1981 CG GLU B 51 -7.668 12.102 -5.142 1.00 0.00 C ATOM 1982 CD GLU B 51 -7.481 13.194 -6.138 1.00 0.00 C ATOM 1983 OE1 GLU B 51 -8.484 13.830 -6.528 1.00 0.00 O ATOM 1984 OE2 GLU B 51 -6.350 13.472 -6.515 1.00 0.00 O ATOM 0 H GLU B 51 -6.538 10.457 -3.448 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.007 12.129 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -8.432 13.476 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -6.739 13.080 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -6.853 11.383 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.591 11.563 -5.355 1.00 0.00 H new ATOM 1991 N LEU B 52 -9.773 10.052 -3.405 1.00 0.00 N ATOM 1992 CA LEU B 52 -11.140 9.605 -3.615 1.00 0.00 C ATOM 1993 C LEU B 52 -11.458 8.349 -2.823 1.00 0.00 C ATOM 1994 O LEU B 52 -12.490 7.734 -2.996 1.00 0.00 O ATOM 1995 CB LEU B 52 -11.496 9.506 -5.129 1.00 0.00 C ATOM 1996 CG LEU B 52 -10.596 8.650 -6.040 1.00 0.00 C ATOM 1997 CD1 LEU B 52 -10.794 7.164 -5.816 1.00 0.00 C ATOM 1998 CD2 LEU B 52 -10.816 9.004 -7.500 1.00 0.00 C ATOM 0 H LEU B 52 -9.051 9.408 -3.728 1.00 0.00 H new ATOM 0 HA LEU B 52 -11.802 10.372 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -12.511 9.117 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -11.510 10.518 -5.533 1.00 0.00 H new ATOM 0 HG LEU B 52 -9.564 8.880 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -10.137 6.605 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -10.557 6.917 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.831 6.900 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -10.170 8.387 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -11.858 8.823 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.578 10.056 -7.659 1.00 0.00 H new ATOM 2010 N VAL B 53 -10.583 8.005 -1.908 1.00 0.00 N ATOM 2011 CA VAL B 53 -10.819 6.847 -1.061 1.00 0.00 C ATOM 2012 C VAL B 53 -11.981 7.131 -0.111 1.00 0.00 C ATOM 2013 O VAL B 53 -12.670 6.224 0.324 1.00 0.00 O ATOM 2014 CB VAL B 53 -9.557 6.328 -0.311 1.00 0.00 C ATOM 2015 CG1 VAL B 53 -9.157 7.241 0.822 1.00 0.00 C ATOM 2016 CG2 VAL B 53 -9.754 4.901 0.178 1.00 0.00 C ATOM 0 H VAL B 53 -9.709 8.500 -1.728 1.00 0.00 H new ATOM 0 HA VAL B 53 -11.088 6.023 -1.722 1.00 0.00 H new ATOM 0 HB VAL B 53 -8.737 6.328 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -8.272 6.840 1.317 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -8.935 8.233 0.429 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.975 7.310 1.540 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.856 4.567 0.697 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -10.603 4.864 0.861 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -9.945 4.248 -0.673 1.00 0.00 H new ATOM 2026 N ASN B 54 -12.165 8.398 0.217 1.00 0.00 N ATOM 2027 CA ASN B 54 -13.278 8.839 1.053 1.00 0.00 C ATOM 2028 C ASN B 54 -14.621 8.347 0.490 1.00 0.00 C ATOM 2029 O ASN B 54 -15.463 7.836 1.243 1.00 0.00 O ATOM 2030 CB ASN B 54 -13.298 10.379 1.234 1.00 0.00 C ATOM 2031 CG ASN B 54 -13.441 11.180 -0.060 1.00 0.00 C ATOM 2032 OD1 ASN B 54 -12.988 10.764 -1.129 1.00 0.00 O ATOM 2033 ND2 ASN B 54 -14.067 12.323 0.030 1.00 0.00 N ATOM 0 H ASN B 54 -11.550 9.153 -0.086 1.00 0.00 H new ATOM 0 HA ASN B 54 -13.129 8.395 2.037 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -14.121 10.641 1.899 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -12.377 10.683 1.732 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -14.194 12.902 -0.800 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -14.429 12.637 0.931 1.00 0.00 H new ATOM 2040 N VAL B 55 -14.795 8.417 -0.832 1.00 0.00 N ATOM 2041 CA VAL B 55 -16.039 7.962 -1.442 1.00 0.00 C ATOM 2042 C VAL B 55 -16.147 6.456 -1.363 1.00 0.00 C ATOM 2043 O VAL B 55 -17.227 5.889 -1.180 1.00 0.00 O ATOM 2044 CB VAL B 55 -16.303 8.482 -2.887 1.00 0.00 C ATOM 2045 CG1 VAL B 55 -16.268 9.981 -2.925 1.00 0.00 C ATOM 2046 CG2 VAL B 55 -15.352 7.910 -3.920 1.00 0.00 C ATOM 0 H VAL B 55 -14.102 8.778 -1.488 1.00 0.00 H new ATOM 0 HA VAL B 55 -16.833 8.416 -0.850 1.00 0.00 H new ATOM 0 HB VAL B 55 -17.300 8.131 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -16.455 10.324 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -17.035 10.380 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -15.289 10.330 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -15.595 8.316 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -14.328 8.178 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -15.449 6.825 -3.942 1.00 0.00 H new ATOM 2056 N LEU B 56 -15.013 5.829 -1.472 1.00 0.00 N ATOM 2057 CA LEU B 56 -14.882 4.394 -1.350 1.00 0.00 C ATOM 2058 C LEU B 56 -15.248 3.925 0.026 1.00 0.00 C ATOM 2059 O LEU B 56 -15.885 2.912 0.179 1.00 0.00 O ATOM 2060 CB LEU B 56 -13.472 3.940 -1.712 1.00 0.00 C ATOM 2061 CG LEU B 56 -13.237 3.570 -3.164 1.00 0.00 C ATOM 2062 CD1 LEU B 56 -14.008 2.325 -3.465 1.00 0.00 C ATOM 2063 CD2 LEU B 56 -13.697 4.667 -4.090 1.00 0.00 C ATOM 0 H LEU B 56 -14.129 6.305 -1.652 1.00 0.00 H new ATOM 0 HA LEU B 56 -15.580 3.942 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -12.777 4.736 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -13.221 3.078 -1.094 1.00 0.00 H new ATOM 0 HG LEU B 56 -12.169 3.418 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -13.851 2.043 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -13.666 1.519 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -15.069 2.504 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -13.515 4.371 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -14.763 4.842 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -13.146 5.582 -3.872 1.00 0.00 H new ATOM 2075 N GLN B 57 -14.857 4.679 1.023 1.00 0.00 N ATOM 2076 CA GLN B 57 -15.170 4.370 2.391 1.00 0.00 C ATOM 2077 C GLN B 57 -16.628 4.425 2.652 1.00 0.00 C ATOM 2078 O GLN B 57 -17.157 3.638 3.446 1.00 0.00 O ATOM 2079 CB GLN B 57 -14.394 5.220 3.328 1.00 0.00 C ATOM 2080 CG GLN B 57 -13.290 4.416 4.008 1.00 0.00 C ATOM 2081 CD GLN B 57 -12.145 3.890 3.106 1.00 0.00 C ATOM 2082 OE1 GLN B 57 -12.425 3.547 1.885 1.00 0.00 O flip ATOM 2083 NE2 GLN B 57 -11.017 3.763 3.550 1.00 0.00 N flip ATOM 0 H GLN B 57 -14.308 5.531 0.904 1.00 0.00 H new ATOM 0 HA GLN B 57 -14.866 3.339 2.572 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -13.957 6.059 2.787 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -15.061 5.639 4.082 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -12.849 5.038 4.787 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -13.750 3.561 4.504 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -10.813 4.037 4.511 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -10.277 3.383 2.960 1.00 0.00 H new ATOM 2092 N GLU B 58 -17.301 5.323 1.946 1.00 0.00 N ATOM 2093 CA GLU B 58 -18.738 5.405 2.032 1.00 0.00 C ATOM 2094 C GLU B 58 -19.320 4.119 1.493 1.00 0.00 C ATOM 2095 O GLU B 58 -20.263 3.593 2.014 1.00 0.00 O ATOM 2096 CB GLU B 58 -19.310 6.526 1.185 1.00 0.00 C ATOM 2097 CG GLU B 58 -18.615 7.845 1.297 1.00 0.00 C ATOM 2098 CD GLU B 58 -19.303 8.898 0.481 1.00 0.00 C ATOM 2099 OE1 GLU B 58 -19.314 8.801 -0.771 1.00 0.00 O ATOM 2100 OE2 GLU B 58 -19.876 9.830 1.081 1.00 0.00 O ATOM 0 H GLU B 58 -16.871 5.998 1.313 1.00 0.00 H new ATOM 0 HA GLU B 58 -18.989 5.586 3.077 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -19.290 6.214 0.141 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -20.357 6.664 1.457 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -18.585 8.154 2.342 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -17.582 7.743 0.965 1.00 0.00 H new ATOM 2107 N ARG B 59 -18.727 3.626 0.428 1.00 0.00 N ATOM 2108 CA ARG B 59 -19.204 2.423 -0.223 1.00 0.00 C ATOM 2109 C ARG B 59 -18.908 1.188 0.626 1.00 0.00 C ATOM 2110 O ARG B 59 -19.744 0.319 0.770 1.00 0.00 O ATOM 2111 CB ARG B 59 -18.657 2.309 -1.666 1.00 0.00 C ATOM 2112 CG ARG B 59 -18.842 3.577 -2.482 1.00 0.00 C ATOM 2113 CD ARG B 59 -20.259 4.144 -2.426 1.00 0.00 C ATOM 2114 NE ARG B 59 -20.214 5.611 -2.333 1.00 0.00 N ATOM 2115 CZ ARG B 59 -21.103 6.456 -2.858 1.00 0.00 C ATOM 2116 NH1 ARG B 59 -22.057 6.007 -3.661 1.00 0.00 N ATOM 2117 NH2 ARG B 59 -21.004 7.758 -2.600 1.00 0.00 N ATOM 0 H ARG B 59 -17.906 4.044 -0.010 1.00 0.00 H new ATOM 0 HA ARG B 59 -20.288 2.487 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG B 59 -17.596 2.063 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG B 59 -19.157 1.483 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG B 59 -18.143 4.333 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG B 59 -18.584 3.371 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG B 59 -20.814 3.845 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG B 59 -20.789 3.734 -1.567 1.00 0.00 H new ATOM 0 HE ARG B 59 -19.432 6.019 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG B 59 -22.113 5.012 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG B 59 -22.735 6.656 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG B 59 -20.252 8.104 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG B 59 -21.680 8.410 -2.998 1.00 0.00 H new ATOM 2131 N VAL B 60 -17.747 1.152 1.227 1.00 0.00 N ATOM 2132 CA VAL B 60 -17.381 0.050 2.126 1.00 0.00 C ATOM 2133 C VAL B 60 -18.338 0.011 3.345 1.00 0.00 C ATOM 2134 O VAL B 60 -18.641 -1.048 3.885 1.00 0.00 O ATOM 2135 CB VAL B 60 -15.890 0.157 2.597 1.00 0.00 C ATOM 2136 CG1 VAL B 60 -15.514 -0.988 3.537 1.00 0.00 C ATOM 2137 CG2 VAL B 60 -14.953 0.161 1.396 1.00 0.00 C ATOM 0 H VAL B 60 -17.027 1.867 1.120 1.00 0.00 H new ATOM 0 HA VAL B 60 -17.481 -0.882 1.569 1.00 0.00 H new ATOM 0 HB VAL B 60 -15.786 1.095 3.143 1.00 0.00 H new ATOM 0 HG11 VAL B 60 -14.473 -0.881 3.843 1.00 0.00 H new ATOM 0 HG12 VAL B 60 -16.156 -0.961 4.418 1.00 0.00 H new ATOM 0 HG13 VAL B 60 -15.644 -1.940 3.022 1.00 0.00 H new ATOM 0 HG21 VAL B 60 -13.921 0.236 1.740 1.00 0.00 H new ATOM 0 HG22 VAL B 60 -15.081 -0.762 0.831 1.00 0.00 H new ATOM 0 HG23 VAL B 60 -15.185 1.013 0.756 1.00 0.00 H new ATOM 2147 N GLY B 61 -18.816 1.165 3.750 1.00 0.00 N ATOM 2148 CA GLY B 61 -19.751 1.224 4.851 1.00 0.00 C ATOM 2149 C GLY B 61 -21.198 0.970 4.430 1.00 0.00 C ATOM 2150 O GLY B 61 -21.882 0.121 5.005 1.00 0.00 O ATOM 0 H GLY B 61 -18.576 2.067 3.339 1.00 0.00 H new ATOM 0 HA2 GLY B 61 -19.464 0.488 5.602 1.00 0.00 H new ATOM 0 HA3 GLY B 61 -19.684 2.204 5.323 1.00 0.00 H new ATOM 2154 N GLU B 62 -21.651 1.714 3.441 1.00 0.00 N ATOM 2155 CA GLU B 62 -23.042 1.703 2.987 1.00 0.00 C ATOM 2156 C GLU B 62 -23.383 0.704 1.914 1.00 0.00 C ATOM 2157 O GLU B 62 -24.346 -0.030 2.061 1.00 0.00 O ATOM 2158 CB GLU B 62 -23.468 3.093 2.514 1.00 0.00 C ATOM 2159 CG GLU B 62 -23.872 4.061 3.591 1.00 0.00 C ATOM 2160 CD GLU B 62 -25.209 3.702 4.171 1.00 0.00 C ATOM 2161 OE1 GLU B 62 -26.243 3.936 3.504 1.00 0.00 O ATOM 2162 OE2 GLU B 62 -25.265 3.201 5.319 1.00 0.00 O ATOM 0 H GLU B 62 -21.058 2.357 2.916 1.00 0.00 H new ATOM 0 HA GLU B 62 -23.596 1.389 3.872 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -22.645 3.531 1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -24.303 2.980 1.823 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -23.120 4.066 4.380 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -23.910 5.070 3.181 1.00 0.00 H new ATOM 2169 N LEU B 63 -22.562 0.633 0.888 1.00 0.00 N ATOM 2170 CA LEU B 63 -22.905 -0.056 -0.398 1.00 0.00 C ATOM 2171 C LEU B 63 -23.280 -1.516 -0.191 1.00 0.00 C ATOM 2172 O LEU B 63 -24.016 -2.098 -0.992 1.00 0.00 O ATOM 2173 CB LEU B 63 -21.722 0.022 -1.375 1.00 0.00 C ATOM 2174 CG LEU B 63 -21.941 -0.459 -2.806 1.00 0.00 C ATOM 2175 CD1 LEU B 63 -22.631 0.610 -3.618 1.00 0.00 C ATOM 2176 CD2 LEU B 63 -20.620 -0.863 -3.444 1.00 0.00 C ATOM 0 H LEU B 63 -21.628 1.044 0.894 1.00 0.00 H new ATOM 0 HA LEU B 63 -23.771 0.461 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -21.393 1.060 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -20.900 -0.555 -0.951 1.00 0.00 H new ATOM 0 HG LEU B 63 -22.584 -1.339 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -22.781 0.253 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -23.597 0.841 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -22.014 1.509 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -20.798 -1.203 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -19.946 -0.006 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -20.168 -1.669 -2.866 1.00 0.00 H new ATOM 2188 N MET B 64 -22.793 -2.074 0.890 1.00 0.00 N ATOM 2189 CA MET B 64 -23.051 -3.448 1.239 1.00 0.00 C ATOM 2190 C MET B 64 -24.542 -3.655 1.483 1.00 0.00 C ATOM 2191 O MET B 64 -25.128 -4.645 1.037 1.00 0.00 O ATOM 2192 CB MET B 64 -22.257 -3.835 2.483 1.00 0.00 C ATOM 2193 CG MET B 64 -20.782 -3.529 2.379 1.00 0.00 C ATOM 2194 SD MET B 64 -19.817 -4.288 3.703 1.00 0.00 S ATOM 2195 CE MET B 64 -18.149 -4.029 3.095 1.00 0.00 C ATOM 0 H MET B 64 -22.201 -1.582 1.558 1.00 0.00 H new ATOM 0 HA MET B 64 -22.737 -4.085 0.412 1.00 0.00 H new ATOM 0 HB2 MET B 64 -22.669 -3.309 3.345 1.00 0.00 H new ATOM 0 HB3 MET B 64 -22.386 -4.901 2.669 1.00 0.00 H new ATOM 0 HG2 MET B 64 -20.409 -3.880 1.417 1.00 0.00 H new ATOM 0 HG3 MET B 64 -20.637 -2.449 2.403 1.00 0.00 H new ATOM 0 HE1 MET B 64 -17.644 -4.990 2.998 1.00 0.00 H new ATOM 0 HE2 MET B 64 -18.188 -3.540 2.122 1.00 0.00 H new ATOM 0 HE3 MET B 64 -17.600 -3.399 3.795 1.00 0.00 H new ATOM 2205 N ASP B 65 -25.151 -2.727 2.181 1.00 0.00 N ATOM 2206 CA ASP B 65 -26.579 -2.794 2.443 1.00 0.00 C ATOM 2207 C ASP B 65 -27.324 -2.022 1.353 1.00 0.00 C ATOM 2208 O ASP B 65 -28.247 -2.551 0.740 1.00 0.00 O ATOM 2209 CB ASP B 65 -26.890 -2.213 3.831 1.00 0.00 C ATOM 2210 CG ASP B 65 -28.312 -2.449 4.325 1.00 0.00 C ATOM 2211 OD1 ASP B 65 -29.127 -3.080 3.621 1.00 0.00 O ATOM 2212 OD2 ASP B 65 -28.624 -2.042 5.470 1.00 0.00 O ATOM 0 H ASP B 65 -24.684 -1.913 2.581 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.907 -3.833 2.431 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -26.195 -2.643 4.552 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.703 -1.139 3.809 1.00 0.00 H new ATOM 2217 N GLN B 66 -26.853 -0.800 1.064 1.00 0.00 N ATOM 2218 CA GLN B 66 -27.431 0.080 0.035 1.00 0.00 C ATOM 2219 C GLN B 66 -26.696 1.414 0.062 1.00 0.00 C ATOM 2220 O GLN B 66 -26.102 1.769 1.061 1.00 0.00 O ATOM 2221 CB GLN B 66 -28.947 0.372 0.278 1.00 0.00 C ATOM 2222 CG GLN B 66 -29.276 1.384 1.398 1.00 0.00 C ATOM 2223 CD GLN B 66 -28.882 0.934 2.785 1.00 0.00 C ATOM 2224 OE1 GLN B 66 -29.665 0.313 3.488 1.00 0.00 O ATOM 2225 NE2 GLN B 66 -27.683 1.269 3.202 1.00 0.00 N ATOM 0 H GLN B 66 -26.051 -0.390 1.543 1.00 0.00 H new ATOM 0 HA GLN B 66 -27.327 -0.430 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -29.379 0.739 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -29.444 -0.570 0.510 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -28.773 2.326 1.179 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -30.347 1.585 1.386 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -27.056 1.788 2.587 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -27.379 1.011 4.141 1.00 0.00 H new ATOM 2234 N ASN B 67 -26.729 2.153 -0.987 1.00 0.00 N ATOM 2235 CA ASN B 67 -26.181 3.480 -0.911 1.00 0.00 C ATOM 2236 C ASN B 67 -27.297 4.426 -0.565 1.00 0.00 C ATOM 2237 O ASN B 67 -28.099 4.797 -1.429 1.00 0.00 O ATOM 2238 CB ASN B 67 -25.519 3.920 -2.203 1.00 0.00 C ATOM 2239 CG ASN B 67 -24.908 5.324 -2.106 1.00 0.00 C ATOM 2240 OD1 ASN B 67 -24.920 6.081 -3.066 1.00 0.00 O ATOM 2241 ND2 ASN B 67 -24.324 5.656 -0.970 1.00 0.00 N ATOM 0 H ASN B 67 -27.116 1.882 -1.891 1.00 0.00 H new ATOM 0 HA ASN B 67 -25.403 3.484 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -24.739 3.206 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -26.254 3.903 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -23.868 6.564 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -24.329 5.005 -0.185 1.00 0.00 H new ATOM 2248 N ALA B 68 -27.412 4.741 0.691 1.00 0.00 N ATOM 2249 CA ALA B 68 -28.434 5.642 1.142 1.00 0.00 C ATOM 2250 C ALA B 68 -27.805 6.830 1.828 1.00 0.00 C ATOM 2251 O ALA B 68 -27.575 6.818 3.046 1.00 0.00 O ATOM 2252 CB ALA B 68 -29.416 4.933 2.070 1.00 0.00 C ATOM 0 H ALA B 68 -26.805 4.384 1.429 1.00 0.00 H new ATOM 0 HA ALA B 68 -28.995 5.995 0.277 1.00 0.00 H new ATOM 0 HB1 ALA B 68 -30.180 5.638 2.398 1.00 0.00 H new ATOM 0 HB2 ALA B 68 -29.888 4.107 1.538 1.00 0.00 H new ATOM 0 HB3 ALA B 68 -28.882 4.547 2.938 1.00 0.00 H new ATOM 2258 N PHE B 69 -27.491 7.851 1.062 1.00 0.00 N ATOM 2259 CA PHE B 69 -26.866 9.026 1.625 1.00 0.00 C ATOM 2260 C PHE B 69 -27.894 10.016 2.154 1.00 0.00 C ATOM 2261 O PHE B 69 -28.182 11.055 1.563 1.00 0.00 O ATOM 2262 CB PHE B 69 -25.785 9.669 0.705 1.00 0.00 C ATOM 2263 CG PHE B 69 -26.199 9.965 -0.726 1.00 0.00 C ATOM 2264 CD1 PHE B 69 -26.038 9.011 -1.715 1.00 0.00 C ATOM 2265 CD2 PHE B 69 -26.729 11.197 -1.078 1.00 0.00 C ATOM 2266 CE1 PHE B 69 -26.400 9.277 -3.021 1.00 0.00 C ATOM 2267 CE2 PHE B 69 -27.090 11.469 -2.380 1.00 0.00 C ATOM 2268 CZ PHE B 69 -26.928 10.507 -3.353 1.00 0.00 C ATOM 0 H PHE B 69 -27.656 7.892 0.056 1.00 0.00 H new ATOM 0 HA PHE B 69 -26.299 8.684 2.491 1.00 0.00 H new ATOM 0 HB2 PHE B 69 -25.457 10.601 1.165 1.00 0.00 H new ATOM 0 HB3 PHE B 69 -24.921 9.005 0.679 1.00 0.00 H new ATOM 0 HD1 PHE B 69 -25.624 8.046 -1.463 1.00 0.00 H new ATOM 0 HD2 PHE B 69 -26.861 11.955 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE B 69 -26.270 8.522 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE B 69 -27.499 12.435 -2.637 1.00 0.00 H new ATOM 0 HZ PHE B 69 -27.214 10.716 -4.373 1.00 0.00 H new ATOM 2278 N SER B 70 -28.531 9.614 3.214 1.00 0.00 N ATOM 2279 CA SER B 70 -29.507 10.413 3.898 1.00 0.00 C ATOM 2280 C SER B 70 -29.563 9.969 5.356 1.00 0.00 C ATOM 2281 O SER B 70 -30.286 9.026 5.712 1.00 0.00 O ATOM 2282 CB SER B 70 -30.903 10.262 3.243 1.00 0.00 C ATOM 2283 OG SER B 70 -30.851 10.522 1.833 1.00 0.00 O ATOM 0 H SER B 70 -28.383 8.698 3.638 1.00 0.00 H new ATOM 0 HA SER B 70 -29.221 11.463 3.835 1.00 0.00 H new ATOM 0 HB2 SER B 70 -31.280 9.254 3.415 1.00 0.00 H new ATOM 0 HB3 SER B 70 -31.605 10.949 3.716 1.00 0.00 H new ATOM 0 HG SER B 70 -31.746 10.417 1.448 1.00 0.00 H new ATOM 2289 N LEU B 71 -28.782 10.597 6.196 1.00 0.00 N ATOM 2290 CA LEU B 71 -28.772 10.233 7.590 1.00 0.00 C ATOM 2291 C LEU B 71 -29.827 11.002 8.358 1.00 0.00 C ATOM 2292 O LEU B 71 -29.550 11.933 9.116 1.00 0.00 O ATOM 2293 CB LEU B 71 -27.362 10.246 8.270 1.00 0.00 C ATOM 2294 CG LEU B 71 -26.491 11.524 8.188 1.00 0.00 C ATOM 2295 CD1 LEU B 71 -25.374 11.441 9.212 1.00 0.00 C ATOM 2296 CD2 LEU B 71 -25.863 11.680 6.804 1.00 0.00 C ATOM 0 H LEU B 71 -28.150 11.356 5.943 1.00 0.00 H new ATOM 0 HA LEU B 71 -29.043 9.178 7.626 1.00 0.00 H new ATOM 0 HB2 LEU B 71 -27.506 10.015 9.326 1.00 0.00 H new ATOM 0 HB3 LEU B 71 -26.784 9.428 7.840 1.00 0.00 H new ATOM 0 HG LEU B 71 -27.135 12.381 8.384 1.00 0.00 H new ATOM 0 HD11 LEU B 71 -24.760 12.340 9.155 1.00 0.00 H new ATOM 0 HD12 LEU B 71 -25.802 11.356 10.211 1.00 0.00 H new ATOM 0 HD13 LEU B 71 -24.756 10.567 9.007 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -25.258 12.586 6.779 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -25.232 10.817 6.591 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -26.650 11.748 6.053 1.00 0.00 H new ATOM 2308 N THR B 72 -31.050 10.673 8.031 1.00 0.00 N ATOM 2309 CA THR B 72 -32.219 11.224 8.659 1.00 0.00 C ATOM 2310 C THR B 72 -33.297 10.128 8.759 1.00 0.00 C ATOM 2311 O THR B 72 -34.381 10.345 9.296 1.00 0.00 O ATOM 2312 CB THR B 72 -32.749 12.461 7.858 1.00 0.00 C ATOM 2313 OG1 THR B 72 -33.898 13.041 8.494 1.00 0.00 O ATOM 2314 CG2 THR B 72 -33.101 12.080 6.422 1.00 0.00 C ATOM 0 H THR B 72 -31.264 9.995 7.300 1.00 0.00 H new ATOM 0 HA THR B 72 -31.964 11.570 9.661 1.00 0.00 H new ATOM 0 HB THR B 72 -31.946 13.198 7.842 1.00 0.00 H new ATOM 0 HG1 THR B 72 -34.374 12.351 9.002 1.00 0.00 H new ATOM 0 HG21 THR B 72 -33.466 12.959 5.891 1.00 0.00 H new ATOM 0 HG22 THR B 72 -32.213 11.695 5.920 1.00 0.00 H new ATOM 0 HG23 THR B 72 -33.875 11.313 6.428 1.00 0.00 H new ATOM 2322 N GLN B 73 -32.979 8.958 8.221 1.00 0.00 N ATOM 2323 CA GLN B 73 -33.871 7.810 8.263 1.00 0.00 C ATOM 2324 C GLN B 73 -33.126 6.666 8.951 1.00 0.00 C ATOM 2325 O GLN B 73 -33.667 5.591 9.221 1.00 0.00 O ATOM 2326 CB GLN B 73 -34.284 7.421 6.833 1.00 0.00 C ATOM 2327 CG GLN B 73 -35.296 6.286 6.750 1.00 0.00 C ATOM 2328 CD GLN B 73 -35.675 5.907 5.331 1.00 0.00 C ATOM 2329 OE1 GLN B 73 -35.694 6.856 4.440 1.00 0.00 O flip ATOM 2330 NE2 GLN B 73 -35.979 4.753 5.055 1.00 0.00 N flip ATOM 0 H GLN B 73 -32.095 8.779 7.744 1.00 0.00 H new ATOM 0 HA GLN B 73 -34.780 8.041 8.818 1.00 0.00 H new ATOM 0 HB2 GLN B 73 -34.701 8.298 6.338 1.00 0.00 H new ATOM 0 HB3 GLN B 73 -33.391 7.135 6.276 1.00 0.00 H new ATOM 0 HG2 GLN B 73 -34.888 5.410 7.253 1.00 0.00 H new ATOM 0 HG3 GLN B 73 -36.197 6.574 7.292 1.00 0.00 H new ATOM 0 HE21 GLN B 73 -35.954 4.032 5.777 1.00 0.00 H new ATOM 0 HE22 GLN B 73 -36.257 4.513 4.104 1.00 0.00 H new ATOM 2339 N LYS B 74 -31.883 6.935 9.238 1.00 0.00 N ATOM 2340 CA LYS B 74 -30.978 6.054 9.878 1.00 0.00 C ATOM 2341 C LYS B 74 -29.827 6.910 10.253 1.00 0.00 C ATOM 2342 O LYS B 74 -29.906 8.121 9.933 1.00 0.00 O ATOM 2343 CB LYS B 74 -30.575 4.833 8.976 1.00 0.00 C ATOM 2344 CG LYS B 74 -30.033 5.119 7.549 1.00 0.00 C ATOM 2345 CD LYS B 74 -28.640 5.747 7.526 1.00 0.00 C ATOM 2346 CE LYS B 74 -28.070 5.809 6.108 1.00 0.00 C ATOM 2347 NZ LYS B 74 -27.892 4.456 5.519 1.00 0.00 N ATOM 2348 OXT LYS B 74 -28.877 6.441 10.852 1.00 0.00 O ATOM 0 H LYS B 74 -31.460 7.835 9.012 1.00 0.00 H new ATOM 0 HA LYS B 74 -31.423 5.577 10.751 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -29.817 4.260 9.511 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -31.450 4.190 8.877 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -30.008 4.185 6.987 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -30.728 5.783 7.034 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -28.687 6.753 7.943 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -27.970 5.169 8.163 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -28.736 6.395 5.475 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -27.110 6.326 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -27.472 4.542 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -27.263 3.893 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -28.816 3.985 5.446 1.00 0.00 H new TER 2362 LYS B 74