USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 944 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 19 LYS NZ :NH3+ -159:sc= 1.64 (180deg=0.227) USER MOD Set 1.2: B 25 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 58 THR OG1 : rot -47:sc= 0.567 USER MOD Set 2.2: B 8 GLN : amide:sc= -0.478 X(o=0.58,f=0.56) USER MOD Set 2.3: B 14 TYR OH : rot 83:sc= 0.492 USER MOD Set 3.1: B 7 TYR OH : rot -130:sc= 0.27 USER MOD Set 3.2: B 28 SER OG : rot 108:sc= 0.244 USER MOD Set 4.1: B 1 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 4.2: B 2 TYR OH : rot -146:sc= -1.93 USER MOD Set 5.1: A 7 TYR OH : rot -140:sc= 0.366 USER MOD Set 5.2: A 28 SER OG : rot 104:sc= 0.399 USER MOD Set 6.1: A 19 LYS NZ :NH3+ -160:sc= 1.96 (180deg=-0.138) USER MOD Set 6.2: A 25 THR OG1 : rot 180:sc= 1.04 USER MOD Set 7.1: A 8 GLN : amide:sc= -0.678 X(o=0.14,f=0.46) USER MOD Set 7.2: A 14 TYR OH : rot 71:sc= 0.126 USER MOD Set 7.3: B 58 THR OG1 : rot -29:sc= 0.69 USER MOD Set 8.1: A 1 MET CE :methyl -160:sc= 0 (180deg=-0.211) USER MOD Set 8.2: A 2 TYR OH : rot 62:sc= -1.44 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.454 K(o=0.45,f=-0.14) USER MOD Single : A 26 MET CE :methyl -150:sc= -5.96! (180deg=-8.52!) USER MOD Single : A 29 SER OG : rot -169:sc= -0.455 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0513) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 0.889 (180deg=0.16) USER MOD Single : A 37 SER OG : rot -130:sc= 0.00231 USER MOD Single : A 40 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.14) USER MOD Single : A 44 SER OG : rot -110:sc= -0.622 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.05 (180deg=1.03) USER MOD Single : A 48 ASN : amide:sc= 0.846 K(o=0.85,f=-0.66) USER MOD Single : A 49 SER OG : rot 86:sc= 0.0123 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -88:sc= 0.694 USER MOD Single : A 60 MET CE :methyl 167:sc= -0.0484 (180deg=-0.322) USER MOD Single : A 61 THR OG1 : rot 33:sc= 0.157 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 168:sc= -0.0117 (180deg=-0.243) USER MOD Single : B 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0364) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 26 MET CE :methyl -145:sc= -5.9! (180deg=-8.98!) USER MOD Single : B 29 SER OG : rot -159:sc= -0.742 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -125:sc= 0.733 (180deg=-0.964) USER MOD Single : B 37 SER OG : rot -130:sc= 0.00528 USER MOD Single : B 40 HIS :FLIP no HE2:sc= 0.176 F(o=-0.69,f=0.18) USER MOD Single : B 44 SER OG : rot -117:sc= -0.651 USER MOD Single : B 46 LYS NZ :NH3+ -175:sc= 0.929 (180deg=0.796) USER MOD Single : B 48 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.29) USER MOD Single : B 49 SER OG : rot 84:sc= -0.0187 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot -84:sc= 0.452 USER MOD Single : B 60 MET CE :methyl -162:sc= -0.155 (180deg=-0.591) USER MOD Single : B 61 THR OG1 : rot 36:sc= 0.292 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.208 8.534 9.894 1.00 0.00 N ATOM 2 CA MET A 1 -12.086 8.456 8.423 1.00 0.00 C ATOM 3 C MET A 1 -11.391 7.137 8.032 1.00 0.00 C ATOM 4 O MET A 1 -12.068 6.156 7.712 1.00 0.00 O ATOM 5 CB MET A 1 -11.336 9.708 7.872 1.00 0.00 C ATOM 6 CG MET A 1 -11.453 9.916 6.357 1.00 0.00 C ATOM 7 SD MET A 1 -10.722 11.480 5.817 1.00 0.00 S ATOM 8 CE MET A 1 -11.270 11.571 4.109 1.00 0.00 C ATOM 0 H1 MET A 1 -12.677 9.424 10.157 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.772 7.731 10.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.261 8.502 10.323 1.00 0.00 H new ATOM 0 HA MET A 1 -13.077 8.456 7.970 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.720 10.595 8.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.281 9.625 8.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.962 9.091 5.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.504 9.891 6.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.631 12.261 3.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.212 10.582 3.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.300 11.925 4.076 1.00 0.00 H new ATOM 18 N TYR A 2 -10.043 7.104 8.099 1.00 0.00 N ATOM 19 CA TYR A 2 -9.249 5.898 7.796 1.00 0.00 C ATOM 20 C TYR A 2 -7.828 5.969 8.387 1.00 0.00 C ATOM 21 O TYR A 2 -7.395 7.017 8.882 1.00 0.00 O ATOM 22 CB TYR A 2 -9.215 5.592 6.278 1.00 0.00 C ATOM 23 CG TYR A 2 -9.042 6.803 5.345 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.010 7.727 5.508 1.00 0.00 C ATOM 25 CD2 TYR A 2 -9.923 7.000 4.284 1.00 0.00 C ATOM 26 CE1 TYR A 2 -7.869 8.790 4.644 1.00 0.00 C ATOM 27 CE2 TYR A 2 -9.777 8.046 3.422 1.00 0.00 C ATOM 28 CZ TYR A 2 -8.751 8.936 3.605 1.00 0.00 C ATOM 29 OH TYR A 2 -8.599 9.966 2.731 1.00 0.00 O ATOM 0 H TYR A 2 -9.478 7.911 8.364 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.756 5.066 8.285 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.400 4.893 6.087 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.141 5.083 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.312 7.607 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -10.740 6.308 4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.070 9.503 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.466 8.173 2.600 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.738 9.881 2.272 1.00 0.00 H new ATOM 39 N LYS A 3 -7.102 4.835 8.274 1.00 0.00 N ATOM 40 CA LYS A 3 -5.775 4.650 8.877 1.00 0.00 C ATOM 41 C LYS A 3 -4.969 3.549 8.150 1.00 0.00 C ATOM 42 O LYS A 3 -5.481 2.879 7.243 1.00 0.00 O ATOM 43 CB LYS A 3 -5.891 4.353 10.422 1.00 0.00 C ATOM 44 CG LYS A 3 -7.013 3.369 10.890 1.00 0.00 C ATOM 45 CD LYS A 3 -6.906 1.937 10.294 1.00 0.00 C ATOM 46 CE LYS A 3 -7.787 0.898 11.020 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.228 1.229 10.988 1.00 0.00 N ATOM 0 H LYS A 3 -7.428 4.019 7.756 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.226 5.584 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.934 3.956 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.042 5.302 10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.987 3.299 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.982 3.789 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.188 1.968 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.866 1.612 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.636 -0.080 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.463 0.818 12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.764 0.494 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.383 2.148 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.551 1.278 10.001 1.00 0.00 H new ATOM 61 N PHE A 4 -3.704 3.392 8.575 1.00 0.00 N ATOM 62 CA PHE A 4 -2.797 2.336 8.106 1.00 0.00 C ATOM 63 C PHE A 4 -2.737 1.211 9.143 1.00 0.00 C ATOM 64 O PHE A 4 -2.343 1.438 10.291 1.00 0.00 O ATOM 65 CB PHE A 4 -1.375 2.903 7.863 1.00 0.00 C ATOM 66 CG PHE A 4 -1.266 3.803 6.636 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.579 5.162 6.702 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.843 3.281 5.411 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.471 5.964 5.582 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.736 4.083 4.298 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.050 5.423 4.383 1.00 0.00 C ATOM 0 H PHE A 4 -3.277 4.008 9.267 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.178 1.943 7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.065 3.467 8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.678 2.072 7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.909 5.590 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.596 2.232 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.716 7.014 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.406 3.663 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.966 6.052 3.509 1.00 0.00 H new ATOM 81 N GLU A 5 -3.112 0.002 8.716 1.00 0.00 N ATOM 82 CA GLU A 5 -3.103 -1.195 9.561 1.00 0.00 C ATOM 83 C GLU A 5 -1.772 -1.929 9.413 1.00 0.00 C ATOM 84 O GLU A 5 -1.549 -2.567 8.389 1.00 0.00 O ATOM 85 CB GLU A 5 -4.262 -2.151 9.157 1.00 0.00 C ATOM 86 CG GLU A 5 -5.673 -1.601 9.408 1.00 0.00 C ATOM 87 CD GLU A 5 -6.791 -2.520 8.885 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.626 -3.114 7.798 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.857 -2.619 9.529 1.00 0.00 O ATOM 0 H GLU A 5 -3.434 -0.175 7.764 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.237 -0.886 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.164 -2.389 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.150 -3.086 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.810 -1.448 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.764 -0.624 8.932 1.00 0.00 H new ATOM 96 N ILE A 6 -0.911 -1.863 10.445 1.00 0.00 N ATOM 97 CA ILE A 6 0.417 -2.503 10.424 1.00 0.00 C ATOM 98 C ILE A 6 0.337 -3.806 11.209 1.00 0.00 C ATOM 99 O ILE A 6 0.149 -3.804 12.425 1.00 0.00 O ATOM 100 CB ILE A 6 1.532 -1.619 11.074 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.498 -0.188 10.481 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.936 -2.288 10.901 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.323 0.810 11.249 1.00 0.00 C ATOM 0 H ILE A 6 -1.115 -1.367 11.313 1.00 0.00 H new ATOM 0 HA ILE A 6 0.683 -2.662 9.379 1.00 0.00 H new ATOM 0 HB ILE A 6 1.341 -1.538 12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.854 -0.223 9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.465 0.157 10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.698 -1.658 11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.935 -3.266 11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.154 -2.407 9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.248 1.787 10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.954 0.876 12.272 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.365 0.490 11.259 1.00 0.00 H new ATOM 115 N TYR A 7 0.498 -4.896 10.513 1.00 0.00 N ATOM 116 CA TYR A 7 0.396 -6.229 11.079 1.00 0.00 C ATOM 117 C TYR A 7 1.501 -7.095 10.490 1.00 0.00 C ATOM 118 O TYR A 7 2.290 -6.645 9.655 1.00 0.00 O ATOM 119 CB TYR A 7 -1.014 -6.817 10.772 1.00 0.00 C ATOM 120 CG TYR A 7 -1.316 -6.913 9.265 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.631 -5.773 8.528 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.234 -8.127 8.580 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.843 -5.836 7.177 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.459 -8.194 7.222 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.759 -7.045 6.526 1.00 0.00 C ATOM 126 OH TYR A 7 -1.953 -7.105 5.165 1.00 0.00 O ATOM 0 H TYR A 7 0.708 -4.892 9.515 1.00 0.00 H new ATOM 0 HA TYR A 7 0.517 -6.198 12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.091 -7.810 11.215 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.772 -6.195 11.249 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.709 -4.821 9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.990 -9.028 9.123 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.076 -4.938 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.400 -9.142 6.707 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.472 -7.906 4.944 1.00 0.00 H new ATOM 136 N GLN A 8 1.551 -8.330 10.944 1.00 0.00 N ATOM 137 CA GLN A 8 2.290 -9.390 10.264 1.00 0.00 C ATOM 138 C GLN A 8 1.255 -10.421 9.804 1.00 0.00 C ATOM 139 O GLN A 8 0.253 -10.662 10.496 1.00 0.00 O ATOM 140 CB GLN A 8 3.397 -10.010 11.168 1.00 0.00 C ATOM 141 CG GLN A 8 2.949 -11.105 12.154 1.00 0.00 C ATOM 142 CD GLN A 8 3.980 -11.376 13.248 1.00 0.00 C ATOM 143 OE1 GLN A 8 3.931 -10.783 14.328 1.00 0.00 O ATOM 144 NE2 GLN A 8 4.945 -12.240 12.963 1.00 0.00 N ATOM 0 H GLN A 8 1.081 -8.635 11.797 1.00 0.00 H new ATOM 0 HA GLN A 8 2.832 -8.993 9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.169 -10.428 10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.860 -9.206 11.740 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.007 -10.809 12.615 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.759 -12.027 11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.955 -12.713 12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.677 -12.431 13.647 1.00 0.00 H new ATOM 153 N ASP A 9 1.471 -10.973 8.612 1.00 0.00 N ATOM 154 CA ASP A 9 0.606 -12.018 8.057 1.00 0.00 C ATOM 155 C ASP A 9 0.986 -13.341 8.739 1.00 0.00 C ATOM 156 O ASP A 9 2.043 -13.400 9.374 1.00 0.00 O ATOM 157 CB ASP A 9 0.789 -12.078 6.513 1.00 0.00 C ATOM 158 CG ASP A 9 -0.151 -13.071 5.804 1.00 0.00 C ATOM 159 OD1 ASP A 9 -1.272 -12.677 5.428 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.220 -14.254 5.646 1.00 0.00 O ATOM 0 H ASP A 9 2.247 -10.712 8.004 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.448 -11.812 8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.626 -11.083 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.821 -12.350 6.291 1.00 0.00 H new ATOM 165 N LYS A 10 0.136 -14.371 8.604 1.00 0.00 N ATOM 166 CA LYS A 10 0.361 -15.722 9.182 1.00 0.00 C ATOM 167 C LYS A 10 1.758 -16.288 8.827 1.00 0.00 C ATOM 168 O LYS A 10 2.404 -16.953 9.644 1.00 0.00 O ATOM 169 CB LYS A 10 -0.757 -16.676 8.714 1.00 0.00 C ATOM 170 CG LYS A 10 -0.691 -18.097 9.312 1.00 0.00 C ATOM 171 CD LYS A 10 -1.820 -19.000 8.784 1.00 0.00 C ATOM 172 CE LYS A 10 -3.222 -18.439 9.114 1.00 0.00 C ATOM 173 NZ LYS A 10 -4.313 -19.337 8.670 1.00 0.00 N ATOM 0 H LYS A 10 -0.739 -14.297 8.086 1.00 0.00 H new ATOM 0 HA LYS A 10 0.330 -15.633 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.721 -16.235 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.718 -16.753 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.273 -18.546 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.754 -18.036 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.720 -19.110 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.718 -19.995 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.302 -18.280 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.341 -17.466 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.231 -18.915 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.256 -19.469 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.218 -20.258 9.143 1.00 0.00 H new ATOM 187 N ALA A 11 2.223 -15.970 7.605 1.00 0.00 N ATOM 188 CA ALA A 11 3.561 -16.359 7.104 1.00 0.00 C ATOM 189 C ALA A 11 4.716 -15.523 7.756 1.00 0.00 C ATOM 190 O ALA A 11 5.883 -15.658 7.374 1.00 0.00 O ATOM 191 CB ALA A 11 3.584 -16.211 5.578 1.00 0.00 C ATOM 0 H ALA A 11 1.680 -15.432 6.930 1.00 0.00 H new ATOM 0 HA ALA A 11 3.738 -17.397 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.566 -16.495 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.825 -16.857 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.378 -15.175 5.310 1.00 0.00 H new ATOM 197 N GLY A 12 4.360 -14.688 8.756 1.00 0.00 N ATOM 198 CA GLY A 12 5.280 -13.760 9.427 1.00 0.00 C ATOM 199 C GLY A 12 5.610 -12.547 8.569 1.00 0.00 C ATOM 200 O GLY A 12 6.691 -11.961 8.701 1.00 0.00 O ATOM 0 H GLY A 12 3.409 -14.643 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.836 -13.428 10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.202 -14.285 9.679 1.00 0.00 H new ATOM 204 N GLU A 13 4.662 -12.151 7.700 1.00 0.00 N ATOM 205 CA GLU A 13 4.907 -11.105 6.685 1.00 0.00 C ATOM 206 C GLU A 13 4.497 -9.723 7.210 1.00 0.00 C ATOM 207 O GLU A 13 3.333 -9.336 7.099 1.00 0.00 O ATOM 208 CB GLU A 13 4.178 -11.444 5.351 1.00 0.00 C ATOM 209 CG GLU A 13 4.568 -12.800 4.728 1.00 0.00 C ATOM 210 CD GLU A 13 6.061 -12.912 4.361 1.00 0.00 C ATOM 211 OE1 GLU A 13 6.435 -12.558 3.224 1.00 0.00 O ATOM 212 OE2 GLU A 13 6.869 -13.360 5.205 1.00 0.00 O ATOM 0 H GLU A 13 3.719 -12.538 7.679 1.00 0.00 H new ATOM 0 HA GLU A 13 5.977 -11.076 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.103 -11.438 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.386 -10.655 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.315 -13.596 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.970 -12.962 3.831 1.00 0.00 H new ATOM 219 N TYR A 14 5.449 -9.025 7.870 1.00 0.00 N ATOM 220 CA TYR A 14 5.255 -7.631 8.308 1.00 0.00 C ATOM 221 C TYR A 14 4.951 -6.705 7.112 1.00 0.00 C ATOM 222 O TYR A 14 5.727 -6.623 6.156 1.00 0.00 O ATOM 223 CB TYR A 14 6.474 -7.114 9.115 1.00 0.00 C ATOM 224 CG TYR A 14 6.558 -7.700 10.534 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.743 -7.200 11.553 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.420 -8.749 10.852 1.00 0.00 C ATOM 227 CE1 TYR A 14 5.797 -7.721 12.830 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.471 -9.272 12.132 1.00 0.00 C ATOM 229 CZ TYR A 14 6.657 -8.752 13.115 1.00 0.00 C ATOM 230 OH TYR A 14 6.702 -9.270 14.394 1.00 0.00 O ATOM 0 H TYR A 14 6.362 -9.410 8.110 1.00 0.00 H new ATOM 0 HA TYR A 14 4.390 -7.616 8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.388 -7.358 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.423 -6.027 9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.059 -6.392 11.338 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.059 -9.161 10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.162 -7.317 13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.146 -10.084 12.360 1.00 0.00 H new ATOM 0 HH TYR A 14 5.883 -9.779 14.570 1.00 0.00 H new ATOM 240 N ARG A 15 3.821 -5.999 7.238 1.00 0.00 N ATOM 241 CA ARG A 15 3.241 -5.178 6.177 1.00 0.00 C ATOM 242 C ARG A 15 2.109 -4.307 6.696 1.00 0.00 C ATOM 243 O ARG A 15 1.594 -4.524 7.792 1.00 0.00 O ATOM 244 CB ARG A 15 2.763 -6.077 5.021 1.00 0.00 C ATOM 245 CG ARG A 15 1.718 -7.147 5.396 1.00 0.00 C ATOM 246 CD ARG A 15 1.635 -8.236 4.327 1.00 0.00 C ATOM 247 NE ARG A 15 0.467 -9.124 4.479 1.00 0.00 N ATOM 248 CZ ARG A 15 -0.333 -9.522 3.473 1.00 0.00 C ATOM 249 NH1 ARG A 15 -0.119 -9.080 2.233 1.00 0.00 N ATOM 250 NH2 ARG A 15 -1.320 -10.362 3.703 1.00 0.00 N ATOM 0 H ARG A 15 3.276 -5.985 8.100 1.00 0.00 H new ATOM 0 HA ARG A 15 4.014 -4.506 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.343 -5.442 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.631 -6.577 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.979 -7.594 6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.741 -6.678 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.599 -7.767 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.544 -8.836 4.360 1.00 0.00 H new ATOM 0 HE ARG A 15 0.250 -9.462 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.652 -8.439 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.727 -9.383 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.481 -10.714 4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.924 -10.661 2.937 1.00 0.00 H new ATOM 264 N PHE A 16 1.721 -3.324 5.876 1.00 0.00 N ATOM 265 CA PHE A 16 0.663 -2.374 6.213 1.00 0.00 C ATOM 266 C PHE A 16 -0.377 -2.307 5.091 1.00 0.00 C ATOM 267 O PHE A 16 -0.049 -2.433 3.907 1.00 0.00 O ATOM 268 CB PHE A 16 1.256 -0.970 6.521 1.00 0.00 C ATOM 269 CG PHE A 16 2.097 -0.327 5.403 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.461 -0.597 5.289 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.527 0.571 4.494 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.226 0.008 4.309 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.294 1.171 3.512 1.00 0.00 C ATOM 274 CZ PHE A 16 3.643 0.889 3.421 1.00 0.00 C ATOM 0 H PHE A 16 2.136 -3.167 4.957 1.00 0.00 H new ATOM 0 HA PHE A 16 0.161 -2.724 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.434 -0.296 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.876 -1.048 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.926 -1.288 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.473 0.799 4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.282 -0.209 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.838 1.860 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.242 1.358 2.654 1.00 0.00 H new ATOM 284 N ARG A 17 -1.637 -2.137 5.489 1.00 0.00 N ATOM 285 CA ARG A 17 -2.757 -1.852 4.590 1.00 0.00 C ATOM 286 C ARG A 17 -3.182 -0.402 4.789 1.00 0.00 C ATOM 287 O ARG A 17 -2.790 0.232 5.770 1.00 0.00 O ATOM 288 CB ARG A 17 -3.949 -2.814 4.883 1.00 0.00 C ATOM 289 CG ARG A 17 -3.632 -4.290 4.552 1.00 0.00 C ATOM 290 CD ARG A 17 -4.811 -5.262 4.753 1.00 0.00 C ATOM 291 NE ARG A 17 -5.357 -5.226 6.121 1.00 0.00 N ATOM 292 CZ ARG A 17 -5.957 -6.251 6.747 1.00 0.00 C ATOM 293 NH1 ARG A 17 -5.972 -7.467 6.215 1.00 0.00 N ATOM 294 NH2 ARG A 17 -6.525 -6.044 7.920 1.00 0.00 N ATOM 0 H ARG A 17 -1.915 -2.195 6.469 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.448 -2.007 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.222 -2.734 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.816 -2.496 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.300 -4.353 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.799 -4.617 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.602 -5.017 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.482 -6.276 4.525 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.272 -4.349 6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.522 -7.636 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.433 -8.233 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.505 -5.115 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.985 -6.813 8.407 1.00 0.00 H new ATOM 308 N PHE A 18 -3.971 0.122 3.853 1.00 0.00 N ATOM 309 CA PHE A 18 -4.629 1.430 4.013 1.00 0.00 C ATOM 310 C PHE A 18 -6.126 1.231 3.784 1.00 0.00 C ATOM 311 O PHE A 18 -6.541 0.464 2.901 1.00 0.00 O ATOM 312 CB PHE A 18 -4.039 2.489 3.049 1.00 0.00 C ATOM 313 CG PHE A 18 -4.624 3.892 3.156 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.800 4.503 4.394 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.974 4.606 2.013 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.314 5.774 4.478 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.485 5.878 2.099 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.658 6.459 3.330 1.00 0.00 C ATOM 0 H PHE A 18 -4.175 -0.339 2.966 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.455 1.812 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.965 2.551 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.176 2.137 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.530 3.974 5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.841 4.152 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.449 6.238 5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.749 6.418 1.202 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.065 7.457 3.401 1.00 0.00 H new ATOM 328 N LYS A 19 -6.919 1.893 4.623 1.00 0.00 N ATOM 329 CA LYS A 19 -8.373 1.741 4.671 1.00 0.00 C ATOM 330 C LYS A 19 -9.090 2.878 3.935 1.00 0.00 C ATOM 331 O LYS A 19 -8.462 3.783 3.371 1.00 0.00 O ATOM 332 CB LYS A 19 -8.820 1.695 6.163 1.00 0.00 C ATOM 333 CG LYS A 19 -8.237 0.511 6.959 1.00 0.00 C ATOM 334 CD LYS A 19 -8.671 -0.852 6.376 1.00 0.00 C ATOM 335 CE LYS A 19 -10.184 -1.092 6.485 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.586 -2.408 5.935 1.00 0.00 N ATOM 0 H LYS A 19 -6.562 2.564 5.303 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.645 0.814 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.525 2.625 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.908 1.645 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.149 0.575 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.560 0.580 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.374 -0.905 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.143 -1.650 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.485 -1.031 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.714 -0.301 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.602 -2.397 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.046 -2.601 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.392 -3.151 6.636 1.00 0.00 H new ATOM 350 N ALA A 20 -10.427 2.805 3.978 1.00 0.00 N ATOM 351 CA ALA A 20 -11.335 3.820 3.450 1.00 0.00 C ATOM 352 C ALA A 20 -12.391 4.140 4.519 1.00 0.00 C ATOM 353 O ALA A 20 -12.535 3.389 5.489 1.00 0.00 O ATOM 354 CB ALA A 20 -11.971 3.346 2.132 1.00 0.00 C ATOM 0 H ALA A 20 -10.916 2.013 4.394 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.785 4.732 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.644 4.116 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.188 3.157 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.532 2.428 2.308 1.00 0.00 H new ATOM 360 N SER A 21 -13.071 5.287 4.355 1.00 0.00 N ATOM 361 CA SER A 21 -14.153 5.765 5.251 1.00 0.00 C ATOM 362 C SER A 21 -15.299 4.734 5.490 1.00 0.00 C ATOM 363 O SER A 21 -15.969 4.780 6.528 1.00 0.00 O ATOM 364 CB SER A 21 -14.718 7.087 4.693 1.00 0.00 C ATOM 365 OG SER A 21 -15.139 6.935 3.345 1.00 0.00 O ATOM 0 H SER A 21 -12.885 5.926 3.582 1.00 0.00 H new ATOM 0 HA SER A 21 -13.704 5.917 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.559 7.414 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.958 7.866 4.754 1.00 0.00 H new ATOM 0 HG SER A 21 -15.495 7.787 3.015 1.00 0.00 H new ATOM 371 N ASN A 22 -15.516 3.814 4.528 1.00 0.00 N ATOM 372 CA ASN A 22 -16.547 2.746 4.641 1.00 0.00 C ATOM 373 C ASN A 22 -16.014 1.507 5.401 1.00 0.00 C ATOM 374 O ASN A 22 -16.759 0.545 5.623 1.00 0.00 O ATOM 375 CB ASN A 22 -17.017 2.307 3.230 1.00 0.00 C ATOM 376 CG ASN A 22 -17.626 3.428 2.383 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.231 4.368 2.893 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.453 3.338 1.078 1.00 0.00 N ATOM 0 H ASN A 22 -14.989 3.785 3.655 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.382 3.163 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.167 1.885 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.753 1.510 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.826 4.061 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.946 2.545 0.684 1.00 0.00 H new ATOM 385 N GLY A 23 -14.735 1.551 5.802 1.00 0.00 N ATOM 386 CA GLY A 23 -14.041 0.400 6.385 1.00 0.00 C ATOM 387 C GLY A 23 -13.550 -0.582 5.325 1.00 0.00 C ATOM 388 O GLY A 23 -13.412 -1.779 5.595 1.00 0.00 O ATOM 0 H GLY A 23 -14.155 2.387 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.192 0.750 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.712 -0.116 7.071 1.00 0.00 H new ATOM 392 N GLU A 24 -13.253 -0.057 4.123 1.00 0.00 N ATOM 393 CA GLU A 24 -12.802 -0.867 2.971 1.00 0.00 C ATOM 394 C GLU A 24 -11.284 -0.724 2.771 1.00 0.00 C ATOM 395 O GLU A 24 -10.783 0.387 2.661 1.00 0.00 O ATOM 396 CB GLU A 24 -13.559 -0.435 1.693 1.00 0.00 C ATOM 397 CG GLU A 24 -15.088 -0.608 1.773 1.00 0.00 C ATOM 398 CD GLU A 24 -15.794 -0.302 0.444 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.927 0.885 0.095 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.197 -1.248 -0.265 1.00 0.00 O ATOM 0 H GLU A 24 -13.318 0.940 3.920 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.022 -1.915 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.334 0.611 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.183 -1.014 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.318 -1.630 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.483 0.049 2.548 1.00 0.00 H new ATOM 407 N THR A 25 -10.558 -1.859 2.753 1.00 0.00 N ATOM 408 CA THR A 25 -9.118 -1.878 2.430 1.00 0.00 C ATOM 409 C THR A 25 -8.923 -1.757 0.912 1.00 0.00 C ATOM 410 O THR A 25 -9.523 -2.503 0.136 1.00 0.00 O ATOM 411 CB THR A 25 -8.421 -3.176 2.945 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.555 -3.278 4.364 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.926 -3.222 2.575 1.00 0.00 C ATOM 0 H THR A 25 -10.948 -2.779 2.959 1.00 0.00 H new ATOM 0 HA THR A 25 -8.657 -1.029 2.935 1.00 0.00 H new ATOM 0 HB THR A 25 -8.916 -4.017 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.116 -4.097 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.485 -4.144 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.818 -3.188 1.491 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.415 -2.366 3.017 1.00 0.00 H new ATOM 421 N MET A 26 -8.059 -0.821 0.516 1.00 0.00 N ATOM 422 CA MET A 26 -7.792 -0.502 -0.896 1.00 0.00 C ATOM 423 C MET A 26 -6.397 -0.988 -1.350 1.00 0.00 C ATOM 424 O MET A 26 -6.164 -1.108 -2.554 1.00 0.00 O ATOM 425 CB MET A 26 -8.040 1.010 -1.162 1.00 0.00 C ATOM 426 CG MET A 26 -7.615 1.941 -0.023 1.00 0.00 C ATOM 427 SD MET A 26 -5.859 1.844 0.334 1.00 0.00 S ATOM 428 CE MET A 26 -5.219 2.539 -1.163 1.00 0.00 C ATOM 0 H MET A 26 -7.517 -0.255 1.169 1.00 0.00 H new ATOM 0 HA MET A 26 -8.497 -1.055 -1.516 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.504 1.298 -2.067 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.102 1.161 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.872 2.968 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.178 1.689 0.876 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.242 2.106 -1.376 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.900 2.321 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.121 3.619 -1.050 1.00 0.00 H new ATOM 438 N PHE A 27 -5.476 -1.278 -0.399 1.00 0.00 N ATOM 439 CA PHE A 27 -4.227 -2.019 -0.722 1.00 0.00 C ATOM 440 C PHE A 27 -3.639 -2.712 0.510 1.00 0.00 C ATOM 441 O PHE A 27 -3.950 -2.366 1.654 1.00 0.00 O ATOM 442 CB PHE A 27 -3.124 -1.124 -1.406 1.00 0.00 C ATOM 443 CG PHE A 27 -2.172 -0.333 -0.471 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.540 0.889 0.035 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.911 -0.820 -0.122 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.717 1.619 0.859 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.076 -0.095 0.714 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.481 1.132 1.201 1.00 0.00 C ATOM 0 H PHE A 27 -5.569 -1.016 0.582 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.528 -2.775 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.515 -1.766 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.626 -0.410 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.509 1.290 -0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.582 -1.773 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.044 2.576 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.892 -0.490 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.170 1.704 1.846 1.00 0.00 H new ATOM 458 N SER A 28 -2.739 -3.653 0.209 1.00 0.00 N ATOM 459 CA SER A 28 -1.861 -4.313 1.172 1.00 0.00 C ATOM 460 C SER A 28 -0.435 -4.207 0.613 1.00 0.00 C ATOM 461 O SER A 28 -0.238 -4.284 -0.612 1.00 0.00 O ATOM 462 CB SER A 28 -2.283 -5.783 1.387 1.00 0.00 C ATOM 463 OG SER A 28 -1.466 -6.423 2.355 1.00 0.00 O ATOM 0 H SER A 28 -2.599 -3.985 -0.745 1.00 0.00 H new ATOM 0 HA SER A 28 -1.921 -3.836 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.324 -5.821 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.220 -6.323 0.442 1.00 0.00 H new ATOM 0 HG SER A 28 -1.959 -6.501 3.199 1.00 0.00 H new ATOM 469 N SER A 29 0.541 -3.974 1.493 1.00 0.00 N ATOM 470 CA SER A 29 1.935 -3.729 1.099 1.00 0.00 C ATOM 471 C SER A 29 2.776 -4.995 1.317 1.00 0.00 C ATOM 472 O SER A 29 2.259 -6.031 1.763 1.00 0.00 O ATOM 473 CB SER A 29 2.492 -2.540 1.925 1.00 0.00 C ATOM 474 OG SER A 29 3.818 -2.207 1.560 1.00 0.00 O ATOM 0 H SER A 29 0.389 -3.949 2.501 1.00 0.00 H new ATOM 0 HA SER A 29 1.982 -3.476 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.850 -1.671 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.462 -2.791 2.985 1.00 0.00 H new ATOM 0 HG SER A 29 4.188 -1.576 2.212 1.00 0.00 H new ATOM 480 N GLU A 30 4.067 -4.907 0.972 1.00 0.00 N ATOM 481 CA GLU A 30 5.069 -5.931 1.308 1.00 0.00 C ATOM 482 C GLU A 30 5.780 -5.548 2.627 1.00 0.00 C ATOM 483 O GLU A 30 6.580 -6.319 3.147 1.00 0.00 O ATOM 484 CB GLU A 30 6.082 -6.074 0.144 1.00 0.00 C ATOM 485 CG GLU A 30 5.409 -6.137 -1.249 1.00 0.00 C ATOM 486 CD GLU A 30 6.364 -6.386 -2.426 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.518 -5.909 -2.388 1.00 0.00 O ATOM 488 OE2 GLU A 30 5.946 -7.033 -3.414 1.00 0.00 O ATOM 0 H GLU A 30 4.450 -4.119 0.449 1.00 0.00 H new ATOM 0 HA GLU A 30 4.580 -6.894 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.774 -5.232 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.674 -6.977 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.659 -6.928 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.881 -5.199 -1.422 1.00 0.00 H new ATOM 495 N GLY A 31 5.486 -4.327 3.141 1.00 0.00 N ATOM 496 CA GLY A 31 6.029 -3.831 4.420 1.00 0.00 C ATOM 497 C GLY A 31 7.471 -3.345 4.351 1.00 0.00 C ATOM 498 O GLY A 31 8.049 -2.998 5.390 1.00 0.00 O ATOM 0 H GLY A 31 4.866 -3.663 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.401 -3.014 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.963 -4.628 5.161 1.00 0.00 H new ATOM 502 N TYR A 32 8.035 -3.362 3.123 1.00 0.00 N ATOM 503 CA TYR A 32 9.389 -2.878 2.797 1.00 0.00 C ATOM 504 C TYR A 32 10.471 -3.884 3.271 1.00 0.00 C ATOM 505 O TYR A 32 11.184 -4.454 2.444 1.00 0.00 O ATOM 506 CB TYR A 32 9.632 -1.437 3.342 1.00 0.00 C ATOM 507 CG TYR A 32 10.980 -0.822 2.937 1.00 0.00 C ATOM 508 CD1 TYR A 32 11.193 -0.355 1.640 1.00 0.00 C ATOM 509 CD2 TYR A 32 12.036 -0.722 3.843 1.00 0.00 C ATOM 510 CE1 TYR A 32 12.404 0.191 1.271 1.00 0.00 C ATOM 511 CE2 TYR A 32 13.249 -0.181 3.474 1.00 0.00 C ATOM 512 CZ TYR A 32 13.426 0.274 2.186 1.00 0.00 C ATOM 513 OH TYR A 32 14.637 0.806 1.812 1.00 0.00 O ATOM 0 H TYR A 32 7.542 -3.725 2.307 1.00 0.00 H new ATOM 0 HA TYR A 32 9.470 -2.813 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.830 -0.789 2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.569 -1.458 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.397 -0.422 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.900 -1.076 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.549 0.553 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.055 -0.114 4.190 1.00 0.00 H new ATOM 0 HH TYR A 32 15.250 0.793 2.576 1.00 0.00 H new ATOM 523 N LYS A 33 10.565 -4.116 4.599 1.00 0.00 N ATOM 524 CA LYS A 33 11.560 -5.034 5.194 1.00 0.00 C ATOM 525 C LYS A 33 11.050 -5.617 6.528 1.00 0.00 C ATOM 526 O LYS A 33 11.089 -6.833 6.746 1.00 0.00 O ATOM 527 CB LYS A 33 12.914 -4.293 5.407 1.00 0.00 C ATOM 528 CG LYS A 33 14.063 -5.167 5.960 1.00 0.00 C ATOM 529 CD LYS A 33 14.406 -6.371 5.046 1.00 0.00 C ATOM 530 CE LYS A 33 15.637 -7.162 5.525 1.00 0.00 C ATOM 531 NZ LYS A 33 16.888 -6.367 5.427 1.00 0.00 N ATOM 0 H LYS A 33 9.955 -3.673 5.286 1.00 0.00 H new ATOM 0 HA LYS A 33 11.715 -5.863 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.230 -3.866 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.750 -3.461 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.952 -4.550 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.788 -5.536 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.547 -7.040 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.585 -6.011 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.487 -7.474 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.738 -8.070 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.703 -6.974 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.986 -5.991 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.852 -5.578 6.104 1.00 0.00 H new ATOM 545 N ALA A 34 10.571 -4.738 7.410 1.00 0.00 N ATOM 546 CA ALA A 34 10.182 -5.093 8.794 1.00 0.00 C ATOM 547 C ALA A 34 9.082 -4.141 9.279 1.00 0.00 C ATOM 548 O ALA A 34 8.616 -3.314 8.483 1.00 0.00 O ATOM 549 CB ALA A 34 11.415 -5.035 9.699 1.00 0.00 C ATOM 0 H ALA A 34 10.438 -3.751 7.192 1.00 0.00 H new ATOM 0 HA ALA A 34 9.786 -6.108 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.131 -5.296 10.718 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.164 -5.741 9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.830 -4.027 9.685 1.00 0.00 H new ATOM 555 N LYS A 35 8.646 -4.233 10.566 1.00 0.00 N ATOM 556 CA LYS A 35 7.573 -3.364 11.076 1.00 0.00 C ATOM 557 C LYS A 35 8.057 -1.911 11.206 1.00 0.00 C ATOM 558 O LYS A 35 7.361 -1.001 10.789 1.00 0.00 O ATOM 559 CB LYS A 35 6.948 -3.917 12.406 1.00 0.00 C ATOM 560 CG LYS A 35 7.847 -4.077 13.677 1.00 0.00 C ATOM 561 CD LYS A 35 8.108 -2.767 14.484 1.00 0.00 C ATOM 562 CE LYS A 35 6.836 -1.939 14.749 1.00 0.00 C ATOM 563 NZ LYS A 35 5.822 -2.679 15.519 1.00 0.00 N ATOM 0 H LYS A 35 9.019 -4.891 11.250 1.00 0.00 H new ATOM 0 HA LYS A 35 6.765 -3.367 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.119 -3.261 12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.522 -4.895 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.381 -4.805 14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.807 -4.492 13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.569 -3.024 15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.824 -2.152 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.105 -1.032 15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.406 -1.627 13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.882 -2.511 15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.037 -3.696 15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.830 -2.353 16.507 1.00 0.00 H new ATOM 577 N ALA A 36 9.255 -1.710 11.790 1.00 0.00 N ATOM 578 CA ALA A 36 9.867 -0.367 11.941 1.00 0.00 C ATOM 579 C ALA A 36 10.061 0.292 10.568 1.00 0.00 C ATOM 580 O ALA A 36 9.782 1.481 10.389 1.00 0.00 O ATOM 581 CB ALA A 36 11.205 -0.461 12.697 1.00 0.00 C ATOM 0 H ALA A 36 9.825 -2.466 12.169 1.00 0.00 H new ATOM 0 HA ALA A 36 9.191 0.256 12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.637 0.535 12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.035 -0.884 13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.892 -1.101 12.143 1.00 0.00 H new ATOM 587 N SER A 37 10.494 -0.533 9.601 1.00 0.00 N ATOM 588 CA SER A 37 10.673 -0.135 8.199 1.00 0.00 C ATOM 589 C SER A 37 9.315 0.215 7.548 1.00 0.00 C ATOM 590 O SER A 37 9.248 1.059 6.647 1.00 0.00 O ATOM 591 CB SER A 37 11.348 -1.287 7.429 1.00 0.00 C ATOM 592 OG SER A 37 12.426 -1.837 8.167 1.00 0.00 O ATOM 0 H SER A 37 10.733 -1.509 9.776 1.00 0.00 H new ATOM 0 HA SER A 37 11.304 0.753 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.615 -2.065 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.711 -0.922 6.468 1.00 0.00 H new ATOM 0 HG SER A 37 13.220 -1.890 7.595 1.00 0.00 H new ATOM 598 N ALA A 38 8.246 -0.447 8.041 1.00 0.00 N ATOM 599 CA ALA A 38 6.868 -0.222 7.583 1.00 0.00 C ATOM 600 C ALA A 38 6.370 1.162 8.047 1.00 0.00 C ATOM 601 O ALA A 38 5.778 1.879 7.249 1.00 0.00 O ATOM 602 CB ALA A 38 5.920 -1.345 8.057 1.00 0.00 C ATOM 0 H ALA A 38 8.321 -1.155 8.771 1.00 0.00 H new ATOM 0 HA ALA A 38 6.867 -0.242 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.910 -1.144 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.262 -2.301 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.918 -1.384 9.146 1.00 0.00 H new ATOM 608 N ILE A 39 6.604 1.534 9.343 1.00 0.00 N ATOM 609 CA ILE A 39 6.323 2.904 9.862 1.00 0.00 C ATOM 610 C ILE A 39 7.039 3.974 9.008 1.00 0.00 C ATOM 611 O ILE A 39 6.398 4.927 8.571 1.00 0.00 O ATOM 612 CB ILE A 39 6.730 3.083 11.401 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.696 2.409 12.375 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.929 4.575 11.804 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.695 0.897 12.402 1.00 0.00 C ATOM 0 H ILE A 39 6.987 0.901 10.045 1.00 0.00 H new ATOM 0 HA ILE A 39 5.244 3.040 9.791 1.00 0.00 H new ATOM 0 HB ILE A 39 7.688 2.573 11.502 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.890 2.770 13.385 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.697 2.748 12.102 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.203 4.634 12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.722 5.013 11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.001 5.123 11.640 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.943 0.546 13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.465 0.515 11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.677 0.538 12.710 1.00 0.00 H new ATOM 627 N HIS A 40 8.364 3.794 8.781 1.00 0.00 N ATOM 628 CA HIS A 40 9.200 4.751 8.004 1.00 0.00 C ATOM 629 C HIS A 40 8.649 4.939 6.576 1.00 0.00 C ATOM 630 O HIS A 40 8.655 6.062 6.023 1.00 0.00 O ATOM 631 CB HIS A 40 10.691 4.302 7.953 1.00 0.00 C ATOM 632 CG HIS A 40 11.442 4.438 9.254 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.729 5.650 9.831 1.00 0.00 N ATOM 634 CD2 HIS A 40 12.010 3.508 10.059 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.435 5.461 10.926 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.622 4.168 11.087 1.00 0.00 N ATOM 0 H HIS A 40 8.883 2.987 9.128 1.00 0.00 H new ATOM 0 HA HIS A 40 9.154 5.709 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.730 3.260 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.205 4.887 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.984 2.438 9.914 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.800 6.237 11.582 1.00 0.00 H new ATOM 0 HE2 HIS A 40 13.138 3.732 11.851 1.00 0.00 H new ATOM 645 N ALA A 41 8.142 3.831 6.005 1.00 0.00 N ATOM 646 CA ALA A 41 7.457 3.845 4.719 1.00 0.00 C ATOM 647 C ALA A 41 6.192 4.713 4.821 1.00 0.00 C ATOM 648 O ALA A 41 6.028 5.661 4.071 1.00 0.00 O ATOM 649 CB ALA A 41 7.137 2.403 4.264 1.00 0.00 C ATOM 0 H ALA A 41 8.201 2.906 6.430 1.00 0.00 H new ATOM 0 HA ALA A 41 8.106 4.283 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.625 2.430 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.064 1.838 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.495 1.922 5.003 1.00 0.00 H new ATOM 655 N ILE A 42 5.357 4.454 5.826 1.00 0.00 N ATOM 656 CA ILE A 42 4.124 5.226 6.055 1.00 0.00 C ATOM 657 C ILE A 42 4.428 6.724 6.325 1.00 0.00 C ATOM 658 O ILE A 42 3.624 7.593 5.990 1.00 0.00 O ATOM 659 CB ILE A 42 3.281 4.599 7.211 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.905 3.128 6.849 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.009 5.430 7.516 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.391 2.311 8.001 1.00 0.00 C ATOM 0 H ILE A 42 5.510 3.708 6.505 1.00 0.00 H new ATOM 0 HA ILE A 42 3.530 5.178 5.142 1.00 0.00 H new ATOM 0 HB ILE A 42 3.890 4.605 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.148 3.143 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.784 2.634 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.452 4.959 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.296 6.439 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.383 5.477 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.155 1.304 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.153 2.259 8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.492 2.776 8.404 1.00 0.00 H new ATOM 674 N GLU A 43 5.637 7.020 6.831 1.00 0.00 N ATOM 675 CA GLU A 43 6.050 8.401 7.130 1.00 0.00 C ATOM 676 C GLU A 43 6.244 9.186 5.823 1.00 0.00 C ATOM 677 O GLU A 43 6.011 10.393 5.795 1.00 0.00 O ATOM 678 CB GLU A 43 7.330 8.442 8.000 1.00 0.00 C ATOM 679 CG GLU A 43 7.117 7.943 9.443 1.00 0.00 C ATOM 680 CD GLU A 43 8.351 8.103 10.344 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.238 7.220 10.331 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.444 9.115 11.072 1.00 0.00 O ATOM 0 H GLU A 43 6.347 6.319 7.042 1.00 0.00 H new ATOM 0 HA GLU A 43 5.257 8.874 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.100 7.834 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.705 9.465 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.283 8.487 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.833 6.891 9.415 1.00 0.00 H new ATOM 689 N SER A 44 6.650 8.472 4.744 1.00 0.00 N ATOM 690 CA SER A 44 6.666 9.023 3.367 1.00 0.00 C ATOM 691 C SER A 44 5.277 9.510 2.943 1.00 0.00 C ATOM 692 O SER A 44 5.146 10.551 2.279 1.00 0.00 O ATOM 693 CB SER A 44 7.131 7.945 2.366 1.00 0.00 C ATOM 694 OG SER A 44 8.519 7.679 2.489 1.00 0.00 O ATOM 0 H SER A 44 6.973 7.506 4.803 1.00 0.00 H new ATOM 0 HA SER A 44 7.357 9.866 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.568 7.027 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.912 8.273 1.350 1.00 0.00 H new ATOM 0 HG SER A 44 8.989 8.020 1.699 1.00 0.00 H new ATOM 700 N ILE A 45 4.243 8.736 3.333 1.00 0.00 N ATOM 701 CA ILE A 45 2.872 8.995 2.898 1.00 0.00 C ATOM 702 C ILE A 45 2.383 10.313 3.534 1.00 0.00 C ATOM 703 O ILE A 45 1.749 11.143 2.878 1.00 0.00 O ATOM 704 CB ILE A 45 1.850 7.825 3.238 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.496 6.408 3.152 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.662 7.886 2.270 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.896 5.953 1.773 1.00 0.00 C ATOM 0 H ILE A 45 4.341 7.929 3.949 1.00 0.00 H new ATOM 0 HA ILE A 45 2.897 9.064 1.810 1.00 0.00 H new ATOM 0 HB ILE A 45 1.527 7.977 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.380 6.393 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.793 5.683 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.039 7.084 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.159 8.848 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.020 7.769 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.333 4.956 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.017 5.926 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.628 6.647 1.359 1.00 0.00 H new ATOM 719 N LYS A 46 2.738 10.486 4.826 1.00 0.00 N ATOM 720 CA LYS A 46 2.392 11.675 5.643 1.00 0.00 C ATOM 721 C LYS A 46 2.895 13.002 5.051 1.00 0.00 C ATOM 722 O LYS A 46 2.275 14.047 5.259 1.00 0.00 O ATOM 723 CB LYS A 46 2.920 11.505 7.117 1.00 0.00 C ATOM 724 CG LYS A 46 2.002 10.745 8.126 1.00 0.00 C ATOM 725 CD LYS A 46 1.708 9.255 7.772 1.00 0.00 C ATOM 726 CE LYS A 46 0.525 9.054 6.819 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.721 9.580 7.403 1.00 0.00 N ATOM 0 H LYS A 46 3.282 9.794 5.341 1.00 0.00 H new ATOM 0 HA LYS A 46 1.303 11.731 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.877 10.984 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.115 12.498 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.466 10.782 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.054 11.277 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.600 8.818 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.514 8.706 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.727 9.556 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.408 7.993 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.509 9.416 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.915 9.095 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.620 10.601 7.575 1.00 0.00 H new ATOM 741 N ARG A 47 4.003 12.940 4.308 1.00 0.00 N ATOM 742 CA ARG A 47 4.725 14.146 3.851 1.00 0.00 C ATOM 743 C ARG A 47 3.946 14.930 2.763 1.00 0.00 C ATOM 744 O ARG A 47 3.782 16.153 2.880 1.00 0.00 O ATOM 745 CB ARG A 47 6.140 13.766 3.336 1.00 0.00 C ATOM 746 CG ARG A 47 7.007 12.980 4.338 1.00 0.00 C ATOM 747 CD ARG A 47 7.193 13.705 5.680 1.00 0.00 C ATOM 748 NE ARG A 47 7.824 12.830 6.679 1.00 0.00 N ATOM 749 CZ ARG A 47 7.385 12.631 7.934 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.327 13.284 8.401 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.017 11.774 8.721 1.00 0.00 N ATOM 0 H ARG A 47 4.428 12.064 4.005 1.00 0.00 H new ATOM 0 HA ARG A 47 4.820 14.807 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.033 13.173 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.667 14.679 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.550 12.007 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.985 12.795 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.807 14.594 5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.225 14.043 6.050 1.00 0.00 H new ATOM 0 HE ARG A 47 8.667 12.331 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.834 13.949 7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.008 13.121 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.832 11.269 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.688 11.619 9.674 1.00 0.00 H new ATOM 765 N ASN A 48 3.448 14.209 1.734 1.00 0.00 N ATOM 766 CA ASN A 48 2.819 14.848 0.530 1.00 0.00 C ATOM 767 C ASN A 48 2.201 13.796 -0.427 1.00 0.00 C ATOM 768 O ASN A 48 1.900 14.104 -1.585 1.00 0.00 O ATOM 769 CB ASN A 48 3.857 15.751 -0.231 1.00 0.00 C ATOM 770 CG ASN A 48 3.260 16.620 -1.354 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.127 17.094 -1.262 1.00 0.00 O ATOM 772 ND2 ASN A 48 4.016 16.827 -2.422 1.00 0.00 N ATOM 0 H ASN A 48 3.464 13.190 1.702 1.00 0.00 H new ATOM 0 HA ASN A 48 2.006 15.481 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.348 16.403 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.629 15.111 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.663 17.391 -3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.951 16.422 -2.471 1.00 0.00 H new ATOM 779 N SER A 49 1.988 12.562 0.045 1.00 0.00 N ATOM 780 CA SER A 49 1.496 11.471 -0.822 1.00 0.00 C ATOM 781 C SER A 49 0.075 11.726 -1.319 1.00 0.00 C ATOM 782 O SER A 49 -0.271 11.272 -2.396 1.00 0.00 O ATOM 783 CB SER A 49 1.548 10.141 -0.103 1.00 0.00 C ATOM 784 OG SER A 49 1.206 9.061 -0.948 1.00 0.00 O ATOM 0 H SER A 49 2.146 12.289 1.015 1.00 0.00 H new ATOM 0 HA SER A 49 2.158 11.440 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.551 9.985 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.867 10.164 0.748 1.00 0.00 H new ATOM 0 HG SER A 49 2.002 8.763 -1.437 1.00 0.00 H new ATOM 790 N ALA A 50 -0.739 12.431 -0.518 1.00 0.00 N ATOM 791 CA ALA A 50 -2.059 12.911 -0.950 1.00 0.00 C ATOM 792 C ALA A 50 -1.956 13.823 -2.197 1.00 0.00 C ATOM 793 O ALA A 50 -2.774 13.728 -3.116 1.00 0.00 O ATOM 794 CB ALA A 50 -2.776 13.611 0.211 1.00 0.00 C ATOM 0 H ALA A 50 -0.502 12.683 0.442 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.656 12.048 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.753 13.962 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.905 12.909 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.181 14.460 0.547 1.00 0.00 H new ATOM 800 N GLY A 51 -0.903 14.652 -2.248 1.00 0.00 N ATOM 801 CA GLY A 51 -0.661 15.553 -3.384 1.00 0.00 C ATOM 802 C GLY A 51 0.295 14.983 -4.437 1.00 0.00 C ATOM 803 O GLY A 51 0.605 15.668 -5.417 1.00 0.00 O ATOM 0 H GLY A 51 -0.201 14.717 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.614 15.785 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.255 16.493 -3.010 1.00 0.00 H new ATOM 807 N ALA A 52 0.759 13.726 -4.231 1.00 0.00 N ATOM 808 CA ALA A 52 1.711 13.042 -5.146 1.00 0.00 C ATOM 809 C ALA A 52 1.107 12.805 -6.540 1.00 0.00 C ATOM 810 O ALA A 52 -0.119 12.782 -6.707 1.00 0.00 O ATOM 811 CB ALA A 52 2.165 11.708 -4.530 1.00 0.00 C ATOM 0 H ALA A 52 0.486 13.158 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 52 2.572 13.698 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.862 11.213 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.657 11.897 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.298 11.067 -4.370 1.00 0.00 H new ATOM 817 N ASP A 53 1.982 12.634 -7.538 1.00 0.00 N ATOM 818 CA ASP A 53 1.567 12.318 -8.912 1.00 0.00 C ATOM 819 C ASP A 53 1.333 10.800 -9.043 1.00 0.00 C ATOM 820 O ASP A 53 1.871 10.017 -8.259 1.00 0.00 O ATOM 821 CB ASP A 53 2.637 12.817 -9.916 1.00 0.00 C ATOM 822 CG ASP A 53 2.215 12.705 -11.397 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.011 12.882 -11.710 1.00 0.00 O ATOM 824 OD2 ASP A 53 3.076 12.447 -12.262 1.00 0.00 O ATOM 0 H ASP A 53 2.992 12.710 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 53 0.632 12.828 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.870 13.858 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.554 12.246 -9.767 1.00 0.00 H new ATOM 829 N THR A 54 0.468 10.401 -9.979 1.00 0.00 N ATOM 830 CA THR A 54 0.168 8.981 -10.239 1.00 0.00 C ATOM 831 C THR A 54 0.595 8.610 -11.675 1.00 0.00 C ATOM 832 O THR A 54 -0.098 8.946 -12.643 1.00 0.00 O ATOM 833 CB THR A 54 -1.359 8.715 -9.997 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.763 9.304 -8.745 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.703 7.219 -9.962 1.00 0.00 C ATOM 0 H THR A 54 -0.045 11.047 -10.579 1.00 0.00 H new ATOM 0 HA THR A 54 0.732 8.349 -9.553 1.00 0.00 H new ATOM 0 HB THR A 54 -1.892 9.165 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.717 9.137 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.772 7.095 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.432 6.761 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.149 6.737 -9.156 1.00 0.00 H new ATOM 843 N VAL A 55 1.767 7.952 -11.803 1.00 0.00 N ATOM 844 CA VAL A 55 2.367 7.588 -13.109 1.00 0.00 C ATOM 845 C VAL A 55 2.199 6.080 -13.373 1.00 0.00 C ATOM 846 O VAL A 55 2.505 5.261 -12.502 1.00 0.00 O ATOM 847 CB VAL A 55 3.901 7.943 -13.160 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.500 7.733 -14.572 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.151 9.367 -12.635 1.00 0.00 C ATOM 0 H VAL A 55 2.327 7.657 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 55 1.847 8.163 -13.875 1.00 0.00 H new ATOM 0 HB VAL A 55 4.422 7.250 -12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.559 7.990 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.383 6.690 -14.865 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.980 8.371 -15.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.217 9.589 -12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.605 10.083 -13.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.808 9.440 -11.603 1.00 0.00 H new ATOM 859 N ASP A 56 1.696 5.736 -14.565 1.00 0.00 N ATOM 860 CA ASP A 56 1.548 4.343 -15.023 1.00 0.00 C ATOM 861 C ASP A 56 2.731 3.978 -15.940 1.00 0.00 C ATOM 862 O ASP A 56 2.834 4.477 -17.064 1.00 0.00 O ATOM 863 CB ASP A 56 0.211 4.150 -15.785 1.00 0.00 C ATOM 864 CG ASP A 56 -1.030 4.584 -15.003 1.00 0.00 C ATOM 865 OD1 ASP A 56 -1.338 5.792 -14.985 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.720 3.724 -14.434 1.00 0.00 O ATOM 0 H ASP A 56 1.376 6.422 -15.248 1.00 0.00 H new ATOM 0 HA ASP A 56 1.541 3.688 -14.152 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.254 4.713 -16.717 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.108 3.098 -16.052 1.00 0.00 H new ATOM 871 N LEU A 57 3.631 3.131 -15.433 1.00 0.00 N ATOM 872 CA LEU A 57 4.778 2.587 -16.188 1.00 0.00 C ATOM 873 C LEU A 57 4.335 1.449 -17.136 1.00 0.00 C ATOM 874 O LEU A 57 5.078 1.077 -18.048 1.00 0.00 O ATOM 875 CB LEU A 57 5.862 2.068 -15.200 1.00 0.00 C ATOM 876 CG LEU A 57 6.695 3.129 -14.390 1.00 0.00 C ATOM 877 CD1 LEU A 57 5.823 4.210 -13.705 1.00 0.00 C ATOM 878 CD2 LEU A 57 7.571 2.410 -13.345 1.00 0.00 C ATOM 0 H LEU A 57 3.588 2.795 -14.471 1.00 0.00 H new ATOM 0 HA LEU A 57 5.197 3.388 -16.797 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.372 1.411 -14.482 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.563 1.455 -15.766 1.00 0.00 H new ATOM 0 HG LEU A 57 7.319 3.656 -15.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.464 4.907 -13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.254 4.751 -14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.136 3.734 -13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.147 3.146 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.934 1.850 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.252 1.725 -13.850 1.00 0.00 H new ATOM 890 N THR A 58 3.110 0.927 -16.927 1.00 0.00 N ATOM 891 CA THR A 58 2.519 -0.129 -17.773 1.00 0.00 C ATOM 892 C THR A 58 1.510 0.489 -18.790 1.00 0.00 C ATOM 893 O THR A 58 0.645 -0.210 -19.336 1.00 0.00 O ATOM 894 CB THR A 58 1.854 -1.234 -16.873 1.00 0.00 C ATOM 895 OG1 THR A 58 1.340 -2.319 -17.663 1.00 0.00 O ATOM 896 CG2 THR A 58 0.737 -0.671 -15.975 1.00 0.00 C ATOM 0 H THR A 58 2.501 1.226 -16.165 1.00 0.00 H new ATOM 0 HA THR A 58 3.306 -0.610 -18.353 1.00 0.00 H new ATOM 0 HB THR A 58 2.647 -1.610 -16.226 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.827 -1.960 -18.417 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.312 -1.476 -15.375 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.150 0.093 -15.317 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.043 -0.231 -16.597 1.00 0.00 H new ATOM 904 N THR A 59 1.661 1.815 -19.065 1.00 0.00 N ATOM 905 CA THR A 59 0.884 2.533 -20.109 1.00 0.00 C ATOM 906 C THR A 59 1.035 1.843 -21.478 1.00 0.00 C ATOM 907 O THR A 59 2.122 1.847 -22.068 1.00 0.00 O ATOM 908 CB THR A 59 1.314 4.046 -20.236 1.00 0.00 C ATOM 909 OG1 THR A 59 2.722 4.167 -19.970 1.00 0.00 O ATOM 910 CG2 THR A 59 0.523 4.973 -19.299 1.00 0.00 C ATOM 0 H THR A 59 2.323 2.412 -18.569 1.00 0.00 H new ATOM 0 HA THR A 59 -0.160 2.501 -19.797 1.00 0.00 H new ATOM 0 HB THR A 59 1.090 4.362 -21.255 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.864 4.294 -19.009 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.863 6.000 -19.431 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.539 4.909 -19.535 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.684 4.668 -18.265 1.00 0.00 H new ATOM 918 N MET A 60 -0.060 1.238 -21.964 1.00 0.00 N ATOM 919 CA MET A 60 -0.084 0.529 -23.255 1.00 0.00 C ATOM 920 C MET A 60 -0.713 1.457 -24.321 1.00 0.00 C ATOM 921 O MET A 60 -1.546 1.045 -25.141 1.00 0.00 O ATOM 922 CB MET A 60 -0.857 -0.815 -23.091 1.00 0.00 C ATOM 923 CG MET A 60 -0.549 -1.859 -24.172 1.00 0.00 C ATOM 924 SD MET A 60 1.210 -2.285 -24.249 1.00 0.00 S ATOM 925 CE MET A 60 1.531 -2.915 -22.594 1.00 0.00 C ATOM 0 H MET A 60 -0.954 1.226 -21.474 1.00 0.00 H new ATOM 0 HA MET A 60 0.924 0.280 -23.588 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.620 -1.239 -22.115 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.927 -0.608 -23.098 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.129 -2.761 -23.976 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.869 -1.478 -25.142 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.497 -3.419 -22.578 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.542 -2.087 -21.885 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.749 -3.621 -22.315 1.00 0.00 H new ATOM 935 N THR A 61 -0.252 2.723 -24.302 1.00 0.00 N ATOM 936 CA THR A 61 -0.787 3.804 -25.134 1.00 0.00 C ATOM 937 C THR A 61 -0.401 3.617 -26.619 1.00 0.00 C ATOM 938 O THR A 61 0.780 3.696 -26.975 1.00 0.00 O ATOM 939 CB THR A 61 -0.285 5.192 -24.605 1.00 0.00 C ATOM 940 OG1 THR A 61 1.147 5.177 -24.455 1.00 0.00 O ATOM 941 CG2 THR A 61 -0.921 5.566 -23.250 1.00 0.00 C ATOM 0 H THR A 61 0.514 3.021 -23.698 1.00 0.00 H new ATOM 0 HA THR A 61 -1.875 3.773 -25.069 1.00 0.00 H new ATOM 0 HB THR A 61 -0.584 5.938 -25.341 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.542 4.603 -25.144 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.542 6.535 -22.925 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.004 5.618 -23.359 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.667 4.810 -22.508 1.00 0.00 H new ATOM 949 N ALA A 62 -1.416 3.364 -27.458 1.00 0.00 N ATOM 950 CA ALA A 62 -1.263 3.165 -28.911 1.00 0.00 C ATOM 951 C ALA A 62 -2.647 3.338 -29.591 1.00 0.00 C ATOM 952 O ALA A 62 -3.445 2.374 -29.596 1.00 0.00 O ATOM 953 CB ALA A 62 -0.634 1.785 -29.224 1.00 0.00 C ATOM 954 OXT ALA A 62 -2.950 4.454 -30.059 1.00 0.00 O ATOM 0 H ALA A 62 -2.383 3.290 -27.143 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.579 3.913 -29.311 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.534 1.667 -30.303 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.350 1.720 -28.759 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.275 0.996 -28.831 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 8.994 15.863 -6.846 1.00 0.00 N ATOM 962 CA MET B 1 9.191 15.340 -5.472 1.00 0.00 C ATOM 963 C MET B 1 9.144 13.803 -5.507 1.00 0.00 C ATOM 964 O MET B 1 10.181 13.143 -5.430 1.00 0.00 O ATOM 965 CB MET B 1 8.121 15.939 -4.512 1.00 0.00 C ATOM 966 CG MET B 1 8.382 15.725 -3.013 1.00 0.00 C ATOM 967 SD MET B 1 7.124 16.531 -1.991 1.00 0.00 S ATOM 968 CE MET B 1 7.795 16.360 -0.338 1.00 0.00 C ATOM 0 H1 MET B 1 9.025 16.902 -6.830 1.00 0.00 H new ATOM 0 H2 MET B 1 9.748 15.504 -7.466 1.00 0.00 H new ATOM 0 H3 MET B 1 8.071 15.550 -7.208 1.00 0.00 H new ATOM 0 HA MET B 1 10.167 15.641 -5.090 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.048 17.010 -4.701 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.152 15.505 -4.760 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.398 14.657 -2.795 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.366 16.117 -2.756 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.025 16.601 0.394 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.131 15.334 -0.186 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.638 17.040 -0.215 1.00 0.00 H new ATOM 978 N TYR B 2 7.933 13.240 -5.667 1.00 0.00 N ATOM 979 CA TYR B 2 7.719 11.785 -5.811 1.00 0.00 C ATOM 980 C TYR B 2 6.345 11.474 -6.435 1.00 0.00 C ATOM 981 O TYR B 2 5.510 12.374 -6.618 1.00 0.00 O ATOM 982 CB TYR B 2 7.917 11.030 -4.463 1.00 0.00 C ATOM 983 CG TYR B 2 7.371 11.716 -3.201 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.050 12.138 -3.103 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.191 11.905 -2.091 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.572 12.722 -1.948 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.724 12.485 -0.946 1.00 0.00 C ATOM 988 CZ TYR B 2 6.415 12.889 -0.877 1.00 0.00 C ATOM 989 OH TYR B 2 5.951 13.454 0.272 1.00 0.00 O ATOM 0 H TYR B 2 7.070 13.782 -5.700 1.00 0.00 H new ATOM 0 HA TYR B 2 8.482 11.418 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.446 10.051 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.984 10.859 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.387 12.006 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.221 11.585 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.543 13.045 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.381 12.625 -0.100 1.00 0.00 H new ATOM 0 HH TYR B 2 6.665 13.981 0.689 1.00 0.00 H new ATOM 999 N LYS B 3 6.120 10.175 -6.717 1.00 0.00 N ATOM 1000 CA LYS B 3 4.926 9.688 -7.430 1.00 0.00 C ATOM 1001 C LYS B 3 4.670 8.192 -7.148 1.00 0.00 C ATOM 1002 O LYS B 3 5.470 7.525 -6.479 1.00 0.00 O ATOM 1003 CB LYS B 3 5.032 9.983 -8.973 1.00 0.00 C ATOM 1004 CG LYS B 3 6.406 9.735 -9.642 1.00 0.00 C ATOM 1005 CD LYS B 3 6.837 8.256 -9.729 1.00 0.00 C ATOM 1006 CE LYS B 3 8.162 8.088 -10.490 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.247 8.922 -9.919 1.00 0.00 N ATOM 0 H LYS B 3 6.767 9.431 -6.454 1.00 0.00 H new ATOM 0 HA LYS B 3 4.063 10.235 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.290 9.372 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.757 11.025 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.382 10.150 -10.650 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.166 10.286 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.942 7.849 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.057 7.679 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.462 7.040 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.014 8.354 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.159 8.631 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.071 9.922 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.273 8.799 -8.887 1.00 0.00 H new ATOM 1021 N PHE B 4 3.541 7.696 -7.683 1.00 0.00 N ATOM 1022 CA PHE B 4 3.152 6.280 -7.636 1.00 0.00 C ATOM 1023 C PHE B 4 3.463 5.617 -8.983 1.00 0.00 C ATOM 1024 O PHE B 4 2.948 6.038 -10.017 1.00 0.00 O ATOM 1025 CB PHE B 4 1.644 6.141 -7.308 1.00 0.00 C ATOM 1026 CG PHE B 4 1.288 6.454 -5.855 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.062 7.765 -5.426 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.182 5.427 -4.916 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.747 8.031 -4.106 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.868 5.695 -3.600 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.648 6.992 -3.196 1.00 0.00 C ATOM 0 H PHE B 4 2.862 8.281 -8.169 1.00 0.00 H new ATOM 0 HA PHE B 4 3.721 5.783 -6.850 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.079 6.807 -7.960 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.326 5.124 -7.537 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.134 8.579 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.349 4.406 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.578 9.048 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.795 4.887 -2.887 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.397 7.200 -2.166 1.00 0.00 H new ATOM 1041 N GLU B 5 4.307 4.587 -8.948 1.00 0.00 N ATOM 1042 CA GLU B 5 4.706 3.819 -10.132 1.00 0.00 C ATOM 1043 C GLU B 5 3.784 2.611 -10.301 1.00 0.00 C ATOM 1044 O GLU B 5 3.898 1.648 -9.545 1.00 0.00 O ATOM 1045 CB GLU B 5 6.176 3.340 -9.991 1.00 0.00 C ATOM 1046 CG GLU B 5 7.190 4.477 -9.765 1.00 0.00 C ATOM 1047 CD GLU B 5 8.656 4.022 -9.881 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.065 3.123 -9.123 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.401 4.567 -10.720 1.00 0.00 O ATOM 0 H GLU B 5 4.740 4.256 -8.086 1.00 0.00 H new ATOM 0 HA GLU B 5 4.626 4.460 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.240 2.640 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.456 2.792 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.005 5.269 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.028 4.907 -8.777 1.00 0.00 H new ATOM 1056 N ILE B 6 2.892 2.656 -11.306 1.00 0.00 N ATOM 1057 CA ILE B 6 1.925 1.581 -11.574 1.00 0.00 C ATOM 1058 C ILE B 6 2.449 0.741 -12.729 1.00 0.00 C ATOM 1059 O ILE B 6 2.542 1.207 -13.865 1.00 0.00 O ATOM 1060 CB ILE B 6 0.506 2.122 -11.962 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.001 3.119 -10.881 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.501 0.943 -12.171 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.244 3.879 -11.270 1.00 0.00 C ATOM 0 H ILE B 6 2.822 3.440 -11.955 1.00 0.00 H new ATOM 0 HA ILE B 6 1.818 0.999 -10.659 1.00 0.00 H new ATOM 0 HB ILE B 6 0.580 2.657 -12.909 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.196 2.570 -9.960 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.795 3.833 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.479 1.343 -12.439 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.142 0.295 -12.971 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.585 0.368 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.528 4.551 -10.460 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.049 4.459 -12.172 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.055 3.176 -11.459 1.00 0.00 H new ATOM 1075 N TYR B 7 2.774 -0.488 -12.429 1.00 0.00 N ATOM 1076 CA TYR B 7 3.346 -1.422 -13.382 1.00 0.00 C ATOM 1077 C TYR B 7 2.715 -2.790 -13.166 1.00 0.00 C ATOM 1078 O TYR B 7 1.874 -2.975 -12.282 1.00 0.00 O ATOM 1079 CB TYR B 7 4.893 -1.473 -13.198 1.00 0.00 C ATOM 1080 CG TYR B 7 5.346 -1.933 -11.796 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.118 -1.135 -10.674 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.972 -3.164 -11.597 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.494 -1.541 -9.420 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.353 -3.574 -10.335 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.111 -2.757 -9.251 1.00 0.00 C ATOM 1086 OH TYR B 7 6.500 -3.156 -7.992 1.00 0.00 O ATOM 0 H TYR B 7 2.649 -0.883 -11.497 1.00 0.00 H new ATOM 0 HA TYR B 7 3.141 -1.101 -14.403 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.315 -2.147 -13.944 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.304 -0.483 -13.394 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.635 -0.177 -10.796 1.00 0.00 H new ATOM 0 HD2 TYR B 7 6.162 -3.807 -12.444 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.306 -0.906 -8.567 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.838 -4.529 -10.198 1.00 0.00 H new ATOM 0 HH TYR B 7 7.434 -3.452 -8.017 1.00 0.00 H new ATOM 1096 N GLN B 8 3.115 -3.730 -13.992 1.00 0.00 N ATOM 1097 CA GLN B 8 2.902 -5.152 -13.736 1.00 0.00 C ATOM 1098 C GLN B 8 4.288 -5.781 -13.567 1.00 0.00 C ATOM 1099 O GLN B 8 5.251 -5.383 -14.243 1.00 0.00 O ATOM 1100 CB GLN B 8 2.056 -5.835 -14.850 1.00 0.00 C ATOM 1101 CG GLN B 8 2.815 -6.288 -16.104 1.00 0.00 C ATOM 1102 CD GLN B 8 1.891 -6.594 -17.283 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.606 -5.722 -18.112 1.00 0.00 O ATOM 1104 NE2 GLN B 8 1.384 -7.814 -17.340 1.00 0.00 N ATOM 0 H GLN B 8 3.601 -3.537 -14.868 1.00 0.00 H new ATOM 0 HA GLN B 8 2.313 -5.296 -12.830 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.561 -6.705 -14.418 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.273 -5.142 -15.157 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.521 -5.511 -16.395 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.399 -7.177 -15.867 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.643 -8.507 -16.638 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.734 -8.062 -18.086 1.00 0.00 H new ATOM 1113 N ASP B 9 4.394 -6.720 -12.631 1.00 0.00 N ATOM 1114 CA ASP B 9 5.631 -7.468 -12.386 1.00 0.00 C ATOM 1115 C ASP B 9 5.747 -8.541 -13.473 1.00 0.00 C ATOM 1116 O ASP B 9 4.757 -8.805 -14.156 1.00 0.00 O ATOM 1117 CB ASP B 9 5.599 -8.079 -10.956 1.00 0.00 C ATOM 1118 CG ASP B 9 6.815 -8.956 -10.607 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.880 -8.405 -10.265 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.711 -10.200 -10.689 1.00 0.00 O ATOM 0 H ASP B 9 3.624 -6.987 -12.017 1.00 0.00 H new ATOM 0 HA ASP B 9 6.507 -6.820 -12.433 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.532 -7.269 -10.230 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.694 -8.677 -10.851 1.00 0.00 H new ATOM 1125 N LYS B 10 6.943 -9.143 -13.628 1.00 0.00 N ATOM 1126 CA LYS B 10 7.220 -10.224 -14.604 1.00 0.00 C ATOM 1127 C LYS B 10 6.180 -11.368 -14.548 1.00 0.00 C ATOM 1128 O LYS B 10 5.808 -11.939 -15.573 1.00 0.00 O ATOM 1129 CB LYS B 10 8.685 -10.740 -14.439 1.00 0.00 C ATOM 1130 CG LYS B 10 9.156 -11.134 -13.001 1.00 0.00 C ATOM 1131 CD LYS B 10 8.697 -12.541 -12.520 1.00 0.00 C ATOM 1132 CE LYS B 10 9.250 -13.686 -13.381 1.00 0.00 C ATOM 1133 NZ LYS B 10 10.733 -13.744 -13.354 1.00 0.00 N ATOM 0 H LYS B 10 7.759 -8.890 -13.071 1.00 0.00 H new ATOM 0 HA LYS B 10 7.122 -9.799 -15.603 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.809 -11.610 -15.083 1.00 0.00 H new ATOM 0 HB3 LYS B 10 9.357 -9.968 -14.813 1.00 0.00 H new ATOM 0 HG2 LYS B 10 10.245 -11.093 -12.968 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.787 -10.388 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS B 10 9.014 -12.686 -11.487 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.608 -12.583 -12.528 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.845 -14.633 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.912 -13.560 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.057 -14.581 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 11.122 -12.886 -13.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.060 -13.805 -12.369 1.00 0.00 H new ATOM 1147 N ALA B 11 5.700 -11.652 -13.327 1.00 0.00 N ATOM 1148 CA ALA B 11 4.659 -12.674 -13.060 1.00 0.00 C ATOM 1149 C ALA B 11 3.236 -12.193 -13.477 1.00 0.00 C ATOM 1150 O ALA B 11 2.244 -12.889 -13.238 1.00 0.00 O ATOM 1151 CB ALA B 11 4.700 -13.042 -11.568 1.00 0.00 C ATOM 0 H ALA B 11 6.023 -11.177 -12.484 1.00 0.00 H new ATOM 0 HA ALA B 11 4.873 -13.554 -13.667 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.939 -13.793 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.683 -13.442 -11.319 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.507 -12.152 -10.968 1.00 0.00 H new ATOM 1157 N GLY B 12 3.169 -11.021 -14.134 1.00 0.00 N ATOM 1158 CA GLY B 12 1.921 -10.362 -14.528 1.00 0.00 C ATOM 1159 C GLY B 12 1.204 -9.718 -13.347 1.00 0.00 C ATOM 1160 O GLY B 12 -0.026 -9.589 -13.357 1.00 0.00 O ATOM 0 H GLY B 12 4.001 -10.499 -14.409 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.137 -9.600 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY B 12 1.260 -11.092 -14.996 1.00 0.00 H new ATOM 1164 N GLU B 13 1.978 -9.284 -12.334 1.00 0.00 N ATOM 1165 CA GLU B 13 1.410 -8.796 -11.057 1.00 0.00 C ATOM 1166 C GLU B 13 1.213 -7.276 -11.096 1.00 0.00 C ATOM 1167 O GLU B 13 2.146 -6.523 -10.795 1.00 0.00 O ATOM 1168 CB GLU B 13 2.318 -9.199 -9.861 1.00 0.00 C ATOM 1169 CG GLU B 13 2.603 -10.703 -9.736 1.00 0.00 C ATOM 1170 CD GLU B 13 1.332 -11.539 -9.533 1.00 0.00 C ATOM 1171 OE1 GLU B 13 0.868 -11.654 -8.380 1.00 0.00 O ATOM 1172 OE2 GLU B 13 0.787 -12.075 -10.523 1.00 0.00 O ATOM 0 H GLU B 13 2.997 -9.260 -12.372 1.00 0.00 H new ATOM 0 HA GLU B 13 0.435 -9.264 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.268 -8.672 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.850 -8.856 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.117 -11.046 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.279 -10.871 -8.898 1.00 0.00 H new ATOM 1179 N TYR B 14 0.024 -6.834 -11.551 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.361 -5.413 -11.508 1.00 0.00 C ATOM 1181 C TYR B 14 -0.363 -4.874 -10.063 1.00 0.00 C ATOM 1182 O TYR B 14 -1.037 -5.412 -9.181 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.727 -5.175 -12.201 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.629 -5.178 -13.733 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.182 -4.041 -14.419 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.956 -6.304 -14.490 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.079 -4.032 -15.794 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.852 -6.293 -15.871 1.00 0.00 C ATOM 1189 CZ TYR B 14 -1.412 -5.155 -16.515 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.301 -5.139 -17.888 1.00 0.00 O ATOM 0 H TYR B 14 -0.687 -7.445 -11.953 1.00 0.00 H new ATOM 0 HA TYR B 14 0.391 -4.854 -12.066 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.428 -5.948 -11.885 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.135 -4.220 -11.870 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.913 -3.156 -13.861 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -2.296 -7.199 -13.990 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -0.737 -3.144 -16.304 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -2.114 -7.172 -16.441 1.00 0.00 H new ATOM 0 HH TYR B 14 -0.372 -5.319 -18.143 1.00 0.00 H new ATOM 1200 N ARG B 15 0.390 -3.787 -9.882 1.00 0.00 N ATOM 1201 CA ARG B 15 0.684 -3.193 -8.578 1.00 0.00 C ATOM 1202 C ARG B 15 1.337 -1.827 -8.726 1.00 0.00 C ATOM 1203 O ARG B 15 1.811 -1.462 -9.800 1.00 0.00 O ATOM 1204 CB ARG B 15 1.584 -4.142 -7.763 1.00 0.00 C ATOM 1205 CG ARG B 15 2.923 -4.501 -8.442 1.00 0.00 C ATOM 1206 CD ARG B 15 3.653 -5.612 -7.698 1.00 0.00 C ATOM 1207 NE ARG B 15 4.999 -5.895 -8.248 1.00 0.00 N ATOM 1208 CZ ARG B 15 6.090 -6.190 -7.518 1.00 0.00 C ATOM 1209 NH1 ARG B 15 6.026 -6.225 -6.192 1.00 0.00 N ATOM 1210 NH2 ARG B 15 7.248 -6.432 -8.118 1.00 0.00 N ATOM 0 H ARG B 15 0.822 -3.284 -10.657 1.00 0.00 H new ATOM 0 HA ARG B 15 -0.256 -3.050 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.794 -3.682 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.034 -5.062 -7.565 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.738 -4.812 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.557 -3.616 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.747 -5.336 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.053 -6.521 -7.736 1.00 0.00 H new ATOM 0 HE ARG B 15 5.107 -5.864 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.144 -6.027 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.858 -6.450 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG B 15 7.313 -6.395 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG B 15 8.074 -6.655 -7.562 1.00 0.00 H new ATOM 1224 N PHE B 16 1.370 -1.087 -7.613 1.00 0.00 N ATOM 1225 CA PHE B 16 1.947 0.256 -7.563 1.00 0.00 C ATOM 1226 C PHE B 16 2.956 0.367 -6.416 1.00 0.00 C ATOM 1227 O PHE B 16 2.788 -0.247 -5.357 1.00 0.00 O ATOM 1228 CB PHE B 16 0.833 1.331 -7.440 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.112 1.197 -6.234 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.254 0.399 -6.306 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.126 1.894 -5.046 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.120 0.295 -5.236 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.746 1.794 -3.977 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.867 0.994 -4.073 1.00 0.00 C ATOM 0 H PHE B 16 0.995 -1.406 -6.719 1.00 0.00 H new ATOM 0 HA PHE B 16 2.480 0.437 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.307 2.312 -7.396 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.233 1.307 -8.350 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.464 -0.147 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.003 2.519 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.995 -0.333 -5.309 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.550 2.342 -3.067 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.547 0.915 -3.237 1.00 0.00 H new ATOM 1244 N ARG B 17 4.020 1.129 -6.662 1.00 0.00 N ATOM 1245 CA ARG B 17 5.001 1.530 -5.648 1.00 0.00 C ATOM 1246 C ARG B 17 4.802 3.012 -5.342 1.00 0.00 C ATOM 1247 O ARG B 17 4.126 3.717 -6.094 1.00 0.00 O ATOM 1248 CB ARG B 17 6.450 1.298 -6.173 1.00 0.00 C ATOM 1249 CG ARG B 17 6.815 -0.176 -6.410 1.00 0.00 C ATOM 1250 CD ARG B 17 8.228 -0.364 -6.995 1.00 0.00 C ATOM 1251 NE ARG B 17 8.410 0.342 -8.281 1.00 0.00 N ATOM 1252 CZ ARG B 17 8.828 -0.217 -9.432 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.056 -1.517 -9.513 1.00 0.00 N ATOM 1254 NH2 ARG B 17 8.992 0.538 -10.503 1.00 0.00 N ATOM 0 H ARG B 17 4.231 1.494 -7.591 1.00 0.00 H new ATOM 0 HA ARG B 17 4.859 0.933 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.576 1.845 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG B 17 7.154 1.723 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.744 -0.718 -5.467 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.086 -0.620 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.965 -0.001 -6.278 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.419 -1.427 -7.138 1.00 0.00 H new ATOM 0 HE ARG B 17 8.200 1.340 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.915 -2.111 -8.696 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.372 -1.925 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.802 1.539 -10.455 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.309 0.120 -11.378 1.00 0.00 H new ATOM 1268 N PHE B 18 5.392 3.478 -4.244 1.00 0.00 N ATOM 1269 CA PHE B 18 5.475 4.918 -3.937 1.00 0.00 C ATOM 1270 C PHE B 18 6.943 5.258 -3.693 1.00 0.00 C ATOM 1271 O PHE B 18 7.685 4.478 -3.073 1.00 0.00 O ATOM 1272 CB PHE B 18 4.592 5.289 -2.721 1.00 0.00 C ATOM 1273 CG PHE B 18 4.584 6.762 -2.322 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.432 7.762 -3.278 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.707 7.139 -0.988 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.413 9.085 -2.910 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.687 8.462 -0.619 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.544 9.431 -1.577 1.00 0.00 C ATOM 0 H PHE B 18 5.826 2.879 -3.541 1.00 0.00 H new ATOM 0 HA PHE B 18 5.094 5.502 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.567 4.986 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.924 4.703 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.328 7.495 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.820 6.378 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.296 9.854 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.784 8.737 0.421 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.533 10.472 -1.290 1.00 0.00 H new ATOM 1288 N LYS B 19 7.358 6.404 -4.229 1.00 0.00 N ATOM 1289 CA LYS B 19 8.749 6.851 -4.228 1.00 0.00 C ATOM 1290 C LYS B 19 9.013 7.885 -3.124 1.00 0.00 C ATOM 1291 O LYS B 19 8.124 8.245 -2.345 1.00 0.00 O ATOM 1292 CB LYS B 19 9.073 7.454 -5.625 1.00 0.00 C ATOM 1293 CG LYS B 19 8.928 6.462 -6.795 1.00 0.00 C ATOM 1294 CD LYS B 19 9.899 5.264 -6.684 1.00 0.00 C ATOM 1295 CE LYS B 19 11.379 5.672 -6.787 1.00 0.00 C ATOM 1296 NZ LYS B 19 12.281 4.496 -6.847 1.00 0.00 N ATOM 0 H LYS B 19 6.724 7.060 -4.685 1.00 0.00 H new ATOM 0 HA LYS B 19 9.396 5.997 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.415 8.304 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.093 7.838 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.903 6.092 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.108 6.985 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.734 4.758 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.671 4.546 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.524 6.285 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.645 6.288 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.240 4.779 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.932 3.758 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.304 4.126 -7.818 1.00 0.00 H new ATOM 1310 N ALA B 20 10.266 8.356 -3.102 1.00 0.00 N ATOM 1311 CA ALA B 20 10.741 9.424 -2.222 1.00 0.00 C ATOM 1312 C ALA B 20 11.515 10.454 -3.062 1.00 0.00 C ATOM 1313 O ALA B 20 11.867 10.166 -4.211 1.00 0.00 O ATOM 1314 CB ALA B 20 11.602 8.837 -1.087 1.00 0.00 C ATOM 0 H ALA B 20 10.996 7.992 -3.715 1.00 0.00 H new ATOM 0 HA ALA B 20 9.897 9.929 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.949 9.642 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.006 8.134 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.461 8.318 -1.513 1.00 0.00 H new ATOM 1320 N SER B 21 11.705 11.662 -2.502 1.00 0.00 N ATOM 1321 CA SER B 21 12.446 12.780 -3.138 1.00 0.00 C ATOM 1322 C SER B 21 13.887 12.417 -3.610 1.00 0.00 C ATOM 1323 O SER B 21 14.412 13.050 -4.536 1.00 0.00 O ATOM 1324 CB SER B 21 12.472 13.990 -2.180 1.00 0.00 C ATOM 1325 OG SER B 21 12.992 13.645 -0.910 1.00 0.00 O ATOM 0 H SER B 21 11.344 11.899 -1.578 1.00 0.00 H new ATOM 0 HA SER B 21 11.905 13.027 -4.051 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.076 14.786 -2.616 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.462 14.384 -2.064 1.00 0.00 H new ATOM 0 HG SER B 21 12.994 14.436 -0.332 1.00 0.00 H new ATOM 1331 N ASN B 22 14.514 11.401 -2.984 1.00 0.00 N ATOM 1332 CA ASN B 22 15.865 10.905 -3.377 1.00 0.00 C ATOM 1333 C ASN B 22 15.800 9.872 -4.523 1.00 0.00 C ATOM 1334 O ASN B 22 16.842 9.410 -4.999 1.00 0.00 O ATOM 1335 CB ASN B 22 16.589 10.276 -2.160 1.00 0.00 C ATOM 1336 CG ASN B 22 17.069 11.294 -1.128 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.453 12.414 -1.464 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.052 10.906 0.133 1.00 0.00 N ATOM 0 H ASN B 22 14.108 10.898 -2.195 1.00 0.00 H new ATOM 0 HA ASN B 22 16.424 11.770 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN B 22 15.915 9.571 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.446 9.703 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.364 11.542 0.867 1.00 0.00 H new ATOM 0 HD22 ASN B 22 16.727 9.970 0.374 1.00 0.00 H new ATOM 1345 N GLY B 23 14.577 9.544 -4.964 1.00 0.00 N ATOM 1346 CA GLY B 23 14.342 8.464 -5.929 1.00 0.00 C ATOM 1347 C GLY B 23 14.353 7.087 -5.271 1.00 0.00 C ATOM 1348 O GLY B 23 14.673 6.089 -5.917 1.00 0.00 O ATOM 0 H GLY B 23 13.726 10.019 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.382 8.622 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.107 8.500 -6.705 1.00 0.00 H new ATOM 1352 N GLU B 24 13.968 7.045 -3.981 1.00 0.00 N ATOM 1353 CA GLU B 24 13.955 5.810 -3.177 1.00 0.00 C ATOM 1354 C GLU B 24 12.518 5.265 -3.044 1.00 0.00 C ATOM 1355 O GLU B 24 11.631 5.995 -2.612 1.00 0.00 O ATOM 1356 CB GLU B 24 14.556 6.088 -1.773 1.00 0.00 C ATOM 1357 CG GLU B 24 15.996 6.644 -1.775 1.00 0.00 C ATOM 1358 CD GLU B 24 17.011 5.705 -2.449 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.303 4.630 -1.885 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.516 6.035 -3.541 1.00 0.00 O ATOM 0 H GLU B 24 13.657 7.869 -3.467 1.00 0.00 H new ATOM 0 HA GLU B 24 14.562 5.058 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.911 6.796 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.542 5.162 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.006 7.606 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.308 6.827 -0.747 1.00 0.00 H new ATOM 1367 N THR B 25 12.293 3.996 -3.431 1.00 0.00 N ATOM 1368 CA THR B 25 11.000 3.312 -3.222 1.00 0.00 C ATOM 1369 C THR B 25 10.883 2.858 -1.757 1.00 0.00 C ATOM 1370 O THR B 25 11.781 2.206 -1.226 1.00 0.00 O ATOM 1371 CB THR B 25 10.834 2.074 -4.166 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.870 2.484 -5.534 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.528 1.299 -3.910 1.00 0.00 C ATOM 0 H THR B 25 12.995 3.418 -3.894 1.00 0.00 H new ATOM 0 HA THR B 25 10.209 4.023 -3.460 1.00 0.00 H new ATOM 0 HB THR B 25 11.667 1.406 -3.947 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.767 1.700 -6.113 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.468 0.452 -4.593 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.515 0.937 -2.882 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.676 1.958 -4.073 1.00 0.00 H new ATOM 1381 N MET B 26 9.754 3.203 -1.138 1.00 0.00 N ATOM 1382 CA MET B 26 9.489 2.926 0.283 1.00 0.00 C ATOM 1383 C MET B 26 8.426 1.821 0.471 1.00 0.00 C ATOM 1384 O MET B 26 8.342 1.244 1.558 1.00 0.00 O ATOM 1385 CB MET B 26 9.159 4.249 1.034 1.00 0.00 C ATOM 1386 CG MET B 26 8.316 5.250 0.239 1.00 0.00 C ATOM 1387 SD MET B 26 6.714 4.597 -0.216 1.00 0.00 S ATOM 1388 CE MET B 26 5.987 4.448 1.393 1.00 0.00 C ATOM 0 H MET B 26 8.989 3.687 -1.608 1.00 0.00 H new ATOM 0 HA MET B 26 10.393 2.521 0.737 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.632 4.004 1.956 1.00 0.00 H new ATOM 0 HB3 MET B 26 10.094 4.730 1.320 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.180 6.155 0.831 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.856 5.538 -0.663 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.343 3.569 1.421 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.774 4.345 2.140 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.396 5.338 1.609 1.00 0.00 H new ATOM 1398 N PHE B 27 7.625 1.508 -0.579 1.00 0.00 N ATOM 1399 CA PHE B 27 6.792 0.276 -0.587 1.00 0.00 C ATOM 1400 C PHE B 27 6.439 -0.162 -2.011 1.00 0.00 C ATOM 1401 O PHE B 27 6.505 0.622 -2.964 1.00 0.00 O ATOM 1402 CB PHE B 27 5.478 0.400 0.276 1.00 0.00 C ATOM 1403 CG PHE B 27 4.233 1.024 -0.414 1.00 0.00 C ATOM 1404 CD1 PHE B 27 4.045 2.384 -0.436 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.256 0.232 -1.025 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.947 2.964 -1.027 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.151 0.809 -1.628 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.997 2.182 -1.627 1.00 0.00 C ATOM 0 H PHE B 27 7.538 2.081 -1.419 1.00 0.00 H new ATOM 0 HA PHE B 27 7.413 -0.490 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE B 27 5.207 -0.597 0.625 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.709 0.995 1.160 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.785 3.020 0.027 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.364 -0.843 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.834 4.038 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.408 0.184 -2.100 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.135 2.634 -2.095 1.00 0.00 H new ATOM 1418 N SER B 28 5.994 -1.421 -2.085 1.00 0.00 N ATOM 1419 CA SER B 28 5.376 -2.028 -3.262 1.00 0.00 C ATOM 1420 C SER B 28 4.066 -2.676 -2.790 1.00 0.00 C ATOM 1421 O SER B 28 4.003 -3.216 -1.671 1.00 0.00 O ATOM 1422 CB SER B 28 6.323 -3.058 -3.912 1.00 0.00 C ATOM 1423 OG SER B 28 5.807 -3.539 -5.147 1.00 0.00 O ATOM 0 H SER B 28 6.058 -2.066 -1.297 1.00 0.00 H new ATOM 0 HA SER B 28 5.172 -1.280 -4.029 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.299 -2.602 -4.078 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.474 -3.895 -3.230 1.00 0.00 H new ATOM 0 HG SER B 28 6.330 -3.166 -5.887 1.00 0.00 H new ATOM 1429 N SER B 29 3.017 -2.576 -3.604 1.00 0.00 N ATOM 1430 CA SER B 29 1.670 -3.037 -3.240 1.00 0.00 C ATOM 1431 C SER B 29 1.376 -4.389 -3.905 1.00 0.00 C ATOM 1432 O SER B 29 2.221 -4.942 -4.624 1.00 0.00 O ATOM 1433 CB SER B 29 0.634 -1.967 -3.669 1.00 0.00 C ATOM 1434 OG SER B 29 -0.685 -2.330 -3.295 1.00 0.00 O ATOM 0 H SER B 29 3.073 -2.172 -4.539 1.00 0.00 H new ATOM 0 HA SER B 29 1.606 -3.176 -2.161 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.890 -1.010 -3.214 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.680 -1.829 -4.749 1.00 0.00 H new ATOM 0 HG SER B 29 -1.329 -1.837 -3.846 1.00 0.00 H new ATOM 1440 N GLU B 30 0.183 -4.936 -3.617 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.365 -6.103 -4.330 1.00 0.00 C ATOM 1442 C GLU B 30 -1.253 -5.630 -5.509 1.00 0.00 C ATOM 1443 O GLU B 30 -1.722 -6.447 -6.304 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.184 -6.990 -3.354 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.499 -7.293 -2.002 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.259 -8.326 -1.140 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.498 -8.197 -0.998 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -0.627 -9.252 -0.586 1.00 0.00 O ATOM 0 H GLU B 30 -0.429 -4.581 -2.883 1.00 0.00 H new ATOM 0 HA GLU B 30 0.458 -6.697 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.138 -6.500 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.407 -7.935 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.510 -7.661 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.400 -6.365 -1.439 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.496 -4.298 -5.584 1.00 0.00 N ATOM 1456 CA GLY B 31 -2.280 -3.675 -6.663 1.00 0.00 C ATOM 1457 C GLY B 31 -3.791 -3.840 -6.536 1.00 0.00 C ATOM 1458 O GLY B 31 -4.532 -3.438 -7.446 1.00 0.00 O ATOM 0 H GLY B 31 -1.151 -3.631 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -2.047 -2.611 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.962 -4.099 -7.615 1.00 0.00 H new ATOM 1462 N TYR B 32 -4.218 -4.464 -5.413 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.631 -4.681 -5.038 1.00 0.00 C ATOM 1464 C TYR B 32 -6.261 -5.823 -5.875 1.00 0.00 C ATOM 1465 O TYR B 32 -6.628 -6.859 -5.314 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.450 -3.352 -5.113 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.922 -3.463 -4.680 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -8.289 -3.409 -3.336 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.943 -3.611 -5.620 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.612 -3.499 -2.952 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -10.260 -3.702 -5.239 1.00 0.00 C ATOM 1472 CZ TYR B 32 -10.592 -3.645 -3.907 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.911 -3.740 -3.530 1.00 0.00 O ATOM 0 H TYR B 32 -3.567 -4.841 -4.724 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.663 -5.003 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.959 -2.606 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.416 -2.981 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -7.525 -3.295 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.692 -3.655 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.877 -3.455 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -11.032 -3.818 -5.985 1.00 0.00 H new ATOM 0 HH TYR B 32 -12.473 -3.838 -4.327 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.353 -5.639 -7.209 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.945 -6.636 -8.133 1.00 0.00 C ATOM 1485 C LYS B 33 -6.340 -6.513 -9.552 1.00 0.00 C ATOM 1486 O LYS B 33 -5.920 -7.512 -10.148 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.495 -6.473 -8.184 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.232 -7.386 -9.203 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.996 -8.895 -8.964 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.711 -9.785 -9.996 1.00 0.00 C ATOM 1491 NZ LYS B 33 -9.431 -11.229 -9.773 1.00 0.00 N ATOM 0 H LYS B 33 -6.020 -4.797 -7.678 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.708 -7.630 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.896 -6.670 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.726 -5.434 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.302 -7.182 -9.154 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.904 -7.130 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.926 -9.099 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.342 -9.158 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.786 -9.611 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.392 -9.504 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.931 -11.794 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.408 -11.400 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.758 -11.504 -8.825 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.309 -5.284 -10.075 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.913 -4.997 -11.475 1.00 0.00 C ATOM 1507 C ALA B 34 -5.306 -3.592 -11.547 1.00 0.00 C ATOM 1508 O ALA B 34 -5.151 -2.951 -10.499 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.139 -5.130 -12.391 1.00 0.00 C ATOM 0 H ALA B 34 -6.558 -4.449 -9.544 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.162 -5.712 -11.813 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.849 -4.919 -13.420 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.534 -6.144 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.906 -4.421 -12.078 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.959 -3.089 -12.754 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.350 -1.756 -12.899 1.00 0.00 C ATOM 1517 C LYS B 35 -5.379 -0.651 -12.591 1.00 0.00 C ATOM 1518 O LYS B 35 -5.074 0.264 -11.849 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.779 -1.594 -14.329 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.213 -0.195 -14.674 1.00 0.00 C ATOM 1521 CD LYS B 35 -2.891 -0.053 -16.183 1.00 0.00 C ATOM 1522 CE LYS B 35 -2.444 1.363 -16.586 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.464 2.387 -16.241 1.00 0.00 N ATOM 0 H LYS B 35 -5.091 -3.587 -13.634 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.534 -1.660 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.987 -2.330 -14.469 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.567 -1.833 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.934 0.569 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -2.309 -0.017 -14.092 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -2.106 -0.762 -16.447 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.774 -0.325 -16.762 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -1.506 1.603 -16.086 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -2.250 1.391 -17.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.712 2.931 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -4.315 1.918 -15.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.080 3.030 -15.519 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.591 -0.757 -13.170 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.698 0.204 -12.915 1.00 0.00 C ATOM 1539 C ALA B 36 -8.032 0.264 -11.417 1.00 0.00 C ATOM 1540 O ALA B 36 -8.226 1.341 -10.847 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.947 -0.173 -13.736 1.00 0.00 C ATOM 0 H ALA B 36 -6.836 -1.502 -13.823 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.368 1.194 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.744 0.542 -13.535 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.703 -0.155 -14.798 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.278 -1.173 -13.456 1.00 0.00 H new ATOM 1547 N SER B 37 -8.036 -0.924 -10.794 1.00 0.00 N ATOM 1548 CA SER B 37 -8.259 -1.096 -9.353 1.00 0.00 C ATOM 1549 C SER B 37 -7.102 -0.470 -8.539 1.00 0.00 C ATOM 1550 O SER B 37 -7.307 -0.002 -7.412 1.00 0.00 O ATOM 1551 CB SER B 37 -8.369 -2.601 -9.041 1.00 0.00 C ATOM 1552 OG SER B 37 -9.168 -3.274 -10.000 1.00 0.00 O ATOM 0 H SER B 37 -7.882 -1.804 -11.286 1.00 0.00 H new ATOM 0 HA SER B 37 -9.182 -0.589 -9.071 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.373 -3.043 -9.021 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.798 -2.737 -8.048 1.00 0.00 H new ATOM 0 HG SER B 37 -9.840 -3.819 -9.541 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.894 -0.467 -9.147 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.683 0.124 -8.560 1.00 0.00 C ATOM 1560 C ALA B 38 -4.799 1.660 -8.527 1.00 0.00 C ATOM 1561 O ALA B 38 -4.479 2.257 -7.504 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.411 -0.325 -9.313 1.00 0.00 C ATOM 0 H ALA B 38 -5.737 -0.880 -10.067 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.593 -0.236 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.535 0.131 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.323 -1.410 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.476 -0.013 -10.355 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.251 2.301 -9.649 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.562 3.760 -9.680 1.00 0.00 C ATOM 1570 C ILE B 39 -6.574 4.132 -8.576 1.00 0.00 C ATOM 1571 O ILE B 39 -6.323 5.058 -7.811 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.116 4.272 -11.094 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.992 4.338 -12.191 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.799 5.672 -10.979 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.566 3.025 -12.798 1.00 0.00 C ATOM 0 H ILE B 39 -5.406 1.828 -10.539 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.610 4.261 -9.505 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.858 3.535 -11.401 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.337 4.989 -12.994 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.114 4.812 -11.752 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.160 5.982 -11.959 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.638 5.612 -10.285 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.076 6.400 -10.612 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.787 3.203 -13.539 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.180 2.371 -12.016 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.422 2.551 -13.278 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.699 3.381 -8.500 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.781 3.634 -7.507 1.00 0.00 C ATOM 1589 C HIS B 40 -8.259 3.548 -6.065 1.00 0.00 C ATOM 1590 O HIS B 40 -8.662 4.344 -5.183 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.992 2.684 -7.739 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.876 3.137 -8.883 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -10.697 3.108 -10.225 1.00 0.00 N flip ATOM 1594 CD2 HIS B 40 -12.106 3.728 -8.687 1.00 0.00 C flip ATOM 1595 CE1 HIS B 40 -11.802 3.683 -10.799 1.00 0.00 C flip ATOM 1596 NE2 HIS B 40 -12.633 4.049 -9.849 1.00 0.00 N flip ATOM 0 H HIS B 40 -7.885 2.590 -9.116 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.132 4.655 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.626 1.678 -7.944 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.585 2.628 -6.826 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -9.889 2.728 -10.718 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -12.567 3.901 -7.726 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -11.963 3.814 -11.859 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.320 2.617 -5.846 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.607 2.492 -4.586 1.00 0.00 C ATOM 1607 C ALA B 41 -5.798 3.773 -4.329 1.00 0.00 C ATOM 1608 O ALA B 41 -5.958 4.412 -3.303 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.714 1.235 -4.601 1.00 0.00 C ATOM 0 H ALA B 41 -7.039 1.931 -6.547 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.316 2.372 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.185 1.153 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.333 0.350 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.991 1.312 -5.413 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.998 4.193 -5.306 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.184 5.419 -5.194 1.00 0.00 C ATOM 1617 C ILE B 42 -5.067 6.676 -4.995 1.00 0.00 C ATOM 1618 O ILE B 42 -4.646 7.635 -4.347 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.243 5.575 -6.430 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.305 4.334 -6.518 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.415 6.888 -6.367 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.567 4.205 -7.813 1.00 0.00 C ATOM 0 H ILE B 42 -4.890 3.704 -6.194 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.560 5.322 -4.305 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.859 5.634 -7.327 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.581 4.383 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.899 3.434 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.774 6.956 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.090 7.743 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.799 6.887 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.939 3.315 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.281 4.121 -8.632 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.943 5.085 -7.965 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.323 6.620 -5.462 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.267 7.745 -5.325 1.00 0.00 C ATOM 1636 C GLU B 43 -7.660 7.934 -3.850 1.00 0.00 C ATOM 1637 O GLU B 43 -7.922 9.059 -3.421 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.515 7.550 -6.214 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.238 7.622 -7.731 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.514 7.495 -8.579 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -9.923 6.365 -8.906 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -10.139 8.527 -8.895 1.00 0.00 O ATOM 0 H GLU B 43 -6.712 5.807 -5.939 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.767 8.650 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.961 6.582 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.252 8.310 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.748 8.568 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.544 6.828 -8.007 1.00 0.00 H new ATOM 1649 N SER B 44 -7.664 6.815 -3.078 1.00 0.00 N ATOM 1650 CA SER B 44 -7.800 6.849 -1.600 1.00 0.00 C ATOM 1651 C SER B 44 -6.685 7.674 -0.957 1.00 0.00 C ATOM 1652 O SER B 44 -6.929 8.412 0.014 1.00 0.00 O ATOM 1653 CB SER B 44 -7.747 5.416 -1.028 1.00 0.00 C ATOM 1654 OG SER B 44 -8.941 4.703 -1.302 1.00 0.00 O ATOM 0 H SER B 44 -7.574 5.873 -3.460 1.00 0.00 H new ATOM 0 HA SER B 44 -8.760 7.311 -1.370 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.898 4.883 -1.456 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.587 5.459 0.049 1.00 0.00 H new ATOM 0 HG SER B 44 -9.385 4.472 -0.459 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.465 7.536 -1.511 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.276 8.160 -0.933 1.00 0.00 C ATOM 1662 C ILE B 45 -4.390 9.690 -1.083 1.00 0.00 C ATOM 1663 O ILE B 45 -4.091 10.447 -0.154 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.910 7.657 -1.568 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.937 6.149 -1.959 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.767 7.888 -0.569 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.001 5.173 -0.810 1.00 0.00 C ATOM 0 H ILE B 45 -5.285 6.997 -2.358 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.244 7.867 0.116 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.758 8.230 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.797 5.976 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.046 5.930 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.829 7.543 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.692 8.951 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.968 7.334 0.348 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.015 4.155 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.128 5.306 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.906 5.353 -0.230 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.870 10.113 -2.269 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.075 11.532 -2.641 1.00 0.00 C ATOM 1681 C LYS B 46 -6.012 12.295 -1.687 1.00 0.00 C ATOM 1682 O LYS B 46 -5.859 13.504 -1.508 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.594 11.634 -4.120 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.517 11.639 -5.252 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.587 10.388 -5.311 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.352 10.492 -4.413 1.00 0.00 C ATOM 1687 NZ LYS B 46 -1.533 11.658 -4.780 1.00 0.00 N ATOM 0 H LYS B 46 -5.132 9.466 -3.013 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.102 12.015 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.270 10.798 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -6.184 12.546 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.026 11.735 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -3.894 12.526 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -4.161 9.507 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.264 10.236 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.661 10.573 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.757 9.583 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -0.660 11.660 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.292 11.609 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.068 12.530 -4.594 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.958 11.575 -1.083 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.051 12.186 -0.306 1.00 0.00 C ATOM 1703 C ARG B 47 -7.563 12.824 1.022 1.00 0.00 C ATOM 1704 O ARG B 47 -7.905 13.976 1.316 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.153 11.129 -0.040 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.794 10.550 -1.317 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.601 11.599 -2.094 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.771 12.061 -1.325 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.571 13.085 -1.661 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -12.333 13.832 -2.735 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -13.609 13.365 -0.900 1.00 0.00 N ATOM 0 H ARG B 47 -6.994 10.556 -1.115 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.462 13.002 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.725 10.312 0.541 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.934 11.580 0.572 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.013 10.146 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.447 9.719 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.961 12.449 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -10.932 11.175 -3.042 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.991 11.560 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.526 13.633 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.957 14.604 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.796 12.806 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -14.225 14.140 -1.143 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.750 12.073 1.791 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.350 12.482 3.175 1.00 0.00 C ATOM 1727 C ASN B 48 -5.309 11.514 3.787 1.00 0.00 C ATOM 1728 O ASN B 48 -5.067 11.533 4.999 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.613 12.610 4.103 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.371 13.382 5.408 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.092 12.806 6.463 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.467 14.699 5.334 1.00 0.00 N ATOM 0 H ASN B 48 -6.353 11.183 1.490 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.874 13.460 3.101 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.409 13.105 3.546 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.970 11.610 4.349 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.309 15.269 6.165 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.699 15.144 4.446 1.00 0.00 H new ATOM 1739 N SER B 49 -4.660 10.682 2.957 1.00 0.00 N ATOM 1740 CA SER B 49 -3.723 9.656 3.458 1.00 0.00 C ATOM 1741 C SER B 49 -2.480 10.273 4.102 1.00 0.00 C ATOM 1742 O SER B 49 -1.905 9.671 4.999 1.00 0.00 O ATOM 1743 CB SER B 49 -3.298 8.716 2.350 1.00 0.00 C ATOM 1744 OG SER B 49 -2.514 7.644 2.831 1.00 0.00 O ATOM 0 H SER B 49 -4.764 10.697 1.942 1.00 0.00 H new ATOM 0 HA SER B 49 -4.262 9.096 4.222 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.183 8.321 1.851 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.732 9.271 1.602 1.00 0.00 H new ATOM 0 HG SER B 49 -3.101 6.932 3.161 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.062 11.455 3.622 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.005 12.245 4.266 1.00 0.00 C ATOM 1752 C ALA B 50 -1.370 12.595 5.728 1.00 0.00 C ATOM 1753 O ALA B 50 -0.519 12.539 6.620 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.695 13.495 3.436 1.00 0.00 C ATOM 0 H ALA B 50 -2.446 11.887 2.781 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.100 11.639 4.308 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.090 14.071 3.925 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.361 13.198 2.442 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.593 14.106 3.350 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.656 12.896 5.972 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.143 13.210 7.324 1.00 0.00 C ATOM 1762 C GLY B 51 -3.722 12.006 8.072 1.00 0.00 C ATOM 1763 O GLY B 51 -4.207 12.163 9.195 1.00 0.00 O ATOM 0 H GLY B 51 -3.376 12.928 5.251 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.322 13.627 7.907 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -3.908 13.983 7.253 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.672 10.802 7.449 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.217 9.548 8.039 1.00 0.00 C ATOM 1769 C ALA B 52 -3.466 9.131 9.316 1.00 0.00 C ATOM 1770 O ALA B 52 -2.322 9.532 9.533 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.171 8.417 7.000 1.00 0.00 C ATOM 0 H ALA B 52 -3.255 10.671 6.527 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.251 9.741 8.323 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.571 7.503 7.439 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -4.770 8.695 6.133 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.139 8.249 6.690 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.132 8.330 10.156 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.534 7.775 11.382 1.00 0.00 C ATOM 1779 C ASP B 53 -2.716 6.524 11.025 1.00 0.00 C ATOM 1780 O ASP B 53 -2.968 5.877 10.002 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.652 7.458 12.412 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.140 6.904 13.760 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.826 7.705 14.670 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.048 5.664 13.920 1.00 0.00 O ATOM 0 H ASP B 53 -5.101 8.047 10.008 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.861 8.502 11.837 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.224 8.367 12.600 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.339 6.734 11.973 1.00 0.00 H new ATOM 1789 N THR B 54 -1.699 6.226 11.832 1.00 0.00 N ATOM 1790 CA THR B 54 -0.856 5.031 11.654 1.00 0.00 C ATOM 1791 C THR B 54 -1.005 4.087 12.868 1.00 0.00 C ATOM 1792 O THR B 54 -0.431 4.341 13.934 1.00 0.00 O ATOM 1793 CB THR B 54 0.632 5.471 11.449 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.695 6.514 10.452 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.538 4.312 11.005 1.00 0.00 C ATOM 0 H THR B 54 -1.431 6.802 12.630 1.00 0.00 H new ATOM 0 HA THR B 54 -1.178 4.482 10.769 1.00 0.00 H new ATOM 0 HB THR B 54 0.993 5.827 12.414 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.627 6.790 10.326 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.558 4.675 10.878 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.524 3.528 11.762 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.176 3.909 10.059 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.822 3.022 12.706 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.117 2.053 13.786 1.00 0.00 C ATOM 1805 C VAL B 55 -1.361 0.732 13.552 1.00 0.00 C ATOM 1806 O VAL B 55 -1.375 0.188 12.444 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.669 1.777 13.938 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.303 1.211 12.657 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -3.958 0.858 15.157 1.00 0.00 C ATOM 0 H VAL B 55 -2.294 2.810 11.827 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.773 2.501 14.718 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.139 2.744 14.116 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.367 1.042 12.822 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.170 1.921 11.841 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.822 0.268 12.399 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.031 0.686 15.236 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -3.447 -0.095 15.023 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -3.599 1.338 16.068 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.679 0.253 14.603 1.00 0.00 N ATOM 1820 CA ASP B 56 0.024 -1.036 14.606 1.00 0.00 C ATOM 1821 C ASP B 56 -0.842 -2.114 15.291 1.00 0.00 C ATOM 1822 O ASP B 56 -1.050 -2.082 16.504 1.00 0.00 O ATOM 1823 CB ASP B 56 1.381 -0.880 15.326 1.00 0.00 C ATOM 1824 CG ASP B 56 2.314 -2.086 15.148 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.101 -3.104 15.817 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.273 -2.010 14.350 1.00 0.00 O ATOM 0 H ASP B 56 -0.600 0.758 15.486 1.00 0.00 H new ATOM 0 HA ASP B 56 0.206 -1.353 13.579 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.881 0.014 14.952 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.202 -0.723 16.390 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.370 -3.040 14.487 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.149 -4.204 14.957 1.00 0.00 C ATOM 1833 C LEU B 57 -1.245 -5.334 15.488 1.00 0.00 C ATOM 1834 O LEU B 57 -1.724 -6.193 16.236 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.065 -4.758 13.816 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.262 -3.851 13.363 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.199 -3.499 14.536 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.774 -2.577 12.662 1.00 0.00 C ATOM 0 H LEU B 57 -1.270 -3.008 13.472 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.769 -3.853 15.782 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.440 -4.955 12.945 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.470 -5.716 14.141 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.837 -4.434 12.644 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.013 -2.870 14.175 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.609 -4.415 14.961 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.638 -2.963 15.302 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.632 -1.975 12.363 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -3.148 -2.003 13.345 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.195 -2.847 11.779 1.00 0.00 H new ATOM 1850 N THR B 58 0.057 -5.348 15.113 1.00 0.00 N ATOM 1851 CA THR B 58 0.979 -6.457 15.480 1.00 0.00 C ATOM 1852 C THR B 58 1.679 -6.189 16.838 1.00 0.00 C ATOM 1853 O THR B 58 2.604 -6.908 17.223 1.00 0.00 O ATOM 1854 CB THR B 58 2.014 -6.774 14.322 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.855 -7.892 14.660 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.896 -5.575 13.936 1.00 0.00 C ATOM 0 H THR B 58 0.493 -4.610 14.560 1.00 0.00 H new ATOM 0 HA THR B 58 0.373 -7.354 15.607 1.00 0.00 H new ATOM 0 HB THR B 58 1.401 -7.020 13.455 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.958 -7.941 15.633 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.579 -5.867 13.138 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.265 -4.755 13.592 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.470 -5.251 14.804 1.00 0.00 H new ATOM 1864 N THR B 59 1.182 -5.179 17.598 1.00 0.00 N ATOM 1865 CA THR B 59 1.568 -4.949 19.014 1.00 0.00 C ATOM 1866 C THR B 59 0.773 -5.920 19.913 1.00 0.00 C ATOM 1867 O THR B 59 1.191 -6.239 21.030 1.00 0.00 O ATOM 1868 CB THR B 59 1.297 -3.462 19.466 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.054 -3.009 18.910 1.00 0.00 O ATOM 1870 CG2 THR B 59 2.420 -2.486 19.061 1.00 0.00 C ATOM 0 H THR B 59 0.504 -4.503 17.247 1.00 0.00 H new ATOM 0 HA THR B 59 2.639 -5.129 19.109 1.00 0.00 H new ATOM 0 HB THR B 59 1.258 -3.469 20.555 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.202 -2.689 17.995 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.170 -1.482 19.402 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.358 -2.801 19.517 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.527 -2.484 17.976 1.00 0.00 H new ATOM 1878 N MET B 60 -0.379 -6.384 19.392 1.00 0.00 N ATOM 1879 CA MET B 60 -1.244 -7.367 20.049 1.00 0.00 C ATOM 1880 C MET B 60 -1.338 -8.612 19.148 1.00 0.00 C ATOM 1881 O MET B 60 -2.223 -8.710 18.290 1.00 0.00 O ATOM 1882 CB MET B 60 -2.648 -6.750 20.328 1.00 0.00 C ATOM 1883 CG MET B 60 -3.606 -7.648 21.129 1.00 0.00 C ATOM 1884 SD MET B 60 -5.235 -6.903 21.378 1.00 0.00 S ATOM 1885 CE MET B 60 -4.815 -5.362 22.197 1.00 0.00 C ATOM 0 H MET B 60 -0.736 -6.077 18.487 1.00 0.00 H new ATOM 0 HA MET B 60 -0.825 -7.658 21.012 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.515 -5.813 20.869 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.116 -6.504 19.375 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.724 -8.599 20.609 1.00 0.00 H new ATOM 0 HG3 MET B 60 -3.162 -7.868 22.100 1.00 0.00 H new ATOM 0 HE1 MET B 60 -5.700 -4.958 22.689 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.038 -5.545 22.940 1.00 0.00 H new ATOM 0 HE3 MET B 60 -4.451 -4.646 21.460 1.00 0.00 H new ATOM 1895 N THR B 61 -0.339 -9.499 19.274 1.00 0.00 N ATOM 1896 CA THR B 61 -0.347 -10.820 18.635 1.00 0.00 C ATOM 1897 C THR B 61 -0.586 -11.899 19.711 1.00 0.00 C ATOM 1898 O THR B 61 0.229 -12.063 20.629 1.00 0.00 O ATOM 1899 CB THR B 61 0.996 -11.097 17.865 1.00 0.00 C ATOM 1900 OG1 THR B 61 2.122 -10.953 18.752 1.00 0.00 O ATOM 1901 CG2 THR B 61 1.178 -10.153 16.662 1.00 0.00 C ATOM 0 H THR B 61 0.500 -9.317 19.825 1.00 0.00 H new ATOM 0 HA THR B 61 -1.152 -10.848 17.900 1.00 0.00 H new ATOM 0 HB THR B 61 0.943 -12.120 17.492 1.00 0.00 H new ATOM 0 HG1 THR B 61 1.880 -11.279 19.644 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.119 -10.380 16.160 1.00 0.00 H new ATOM 0 HG22 THR B 61 0.352 -10.290 15.964 1.00 0.00 H new ATOM 0 HG23 THR B 61 1.193 -9.120 17.009 1.00 0.00 H new ATOM 1909 N ALA B 62 -1.721 -12.602 19.599 1.00 0.00 N ATOM 1910 CA ALA B 62 -2.130 -13.655 20.537 1.00 0.00 C ATOM 1911 C ALA B 62 -3.122 -14.597 19.812 1.00 0.00 C ATOM 1912 O ALA B 62 -2.704 -15.668 19.332 1.00 0.00 O ATOM 1913 CB ALA B 62 -2.737 -13.034 21.820 1.00 0.00 C ATOM 1914 OXT ALA B 62 -4.308 -14.218 19.656 1.00 0.00 O ATOM 0 H ALA B 62 -2.390 -12.453 18.844 1.00 0.00 H new ATOM 0 HA ALA B 62 -1.267 -14.239 20.856 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -3.034 -13.829 22.504 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -1.995 -12.399 22.303 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -3.610 -12.436 21.557 1.00 0.00 H new TER 1920 ALA B 62