USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1286 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 58 SER OG : rot -170:sc= 0.509 USER MOD Set 1.2: B 67 LYS NZ :NH3+ -172:sc= 0.385 (180deg=-0.395) USER MOD Set 2.1: B 26 THR OG1 : rot 180:sc= -0.255 USER MOD Set 2.2: B 29 GLN : amide:sc= -0.241 K(o=-0.5,f=1.5) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0996) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.862 (180deg=0.718) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0122 (180deg=-0.246) USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0757 (180deg=-0.413) USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= 0.948 (180deg=0.0797) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0.434 (180deg=0.432) USER MOD Single : A 14 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.51) USER MOD Single : A 20 ASN : amide:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : A 22 THR OG1 : rot -23:sc= 0.525 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 27 GLN : amide:sc= 0.482 K(o=0.48,f=-4.8!) USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= 0.344 (180deg=-0.18) USER MOD Single : A 29 GLN : amide:sc= -0.413 K(o=-0.41,f=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -1.18 (180deg=-2.36!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -80:sc= -0.436! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0.23 (180deg=0.0155) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= -0.0334 (180deg=-0.163) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00158 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.13 K(o=0.24,f=-1) USER MOD Single : A 76 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -168:sc= 0.551 (180deg=0.475) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 139:sc= 1.68 (180deg=-0.313) USER MOD Single : B 7 LYS NZ :NH3+ -153:sc= -1.77 (180deg=-4.79!) USER MOD Single : B 14 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.4!) USER MOD Single : B 20 ASN : amide:sc= 0.263 K(o=0.26,f=-0.39) USER MOD Single : B 22 THR OG1 : rot -40:sc= 0.592 USER MOD Single : B 27 GLN : amide:sc= 0.265 X(o=0.26,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 154:sc= 0.0812 (180deg=-0.456) USER MOD Single : B 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00389) USER MOD Single : B 34 THR OG1 : rot -76:sc= 0.492 USER MOD Single : B 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0323) USER MOD Single : B 37 LYS NZ :NH3+ 170:sc= -0.0204 (180deg=-0.14) USER MOD Single : B 40 LYS NZ :NH3+ -168:sc= -0.015 (180deg=-0.17) USER MOD Single : B 54 LYS NZ :NH3+ 166:sc= -0.0363 (180deg=-0.238) USER MOD Single : B 57 THR OG1 : rot -170:sc= -0.0551 USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS : no HD1:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : B 74 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.69) USER MOD Single : B 75 HIS : no HE2:sc= 0.242 K(o=0.24,f=-1) USER MOD Single : B 76 HIS : no HE2:sc= 0.127 K(o=0.13,f=-0.87) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.803 19.148 6.245 1.00 0.00 N ATOM 2 CA MET A 1 9.788 18.897 5.151 1.00 52.33 C ATOM 3 C MET A 1 9.772 17.415 4.700 1.00 12.24 C ATOM 4 O MET A 1 10.208 17.098 3.589 1.00 2.20 O ATOM 5 CB MET A 1 11.217 19.324 5.592 1.00 34.21 C ATOM 6 CG MET A 1 11.377 20.834 5.851 1.00 51.22 C ATOM 7 SD MET A 1 10.443 21.417 7.289 1.00 12.33 S ATOM 8 CE MET A 1 11.359 20.696 8.660 1.00 4.30 C ATOM 0 H1 MET A 1 8.911 20.122 6.592 1.00 0.00 H new ATOM 0 H2 MET A 1 7.838 19.015 5.881 1.00 0.00 H new ATOM 0 H3 MET A 1 8.973 18.482 7.025 1.00 0.00 H new ATOM 0 HA MET A 1 9.494 19.504 4.295 1.00 52.33 H new ATOM 0 HB2 MET A 1 11.481 18.782 6.500 1.00 34.21 H new ATOM 0 HB3 MET A 1 11.927 19.022 4.822 1.00 34.21 H new ATOM 0 HG2 MET A 1 12.433 21.061 5.996 1.00 51.22 H new ATOM 0 HG3 MET A 1 11.051 21.384 4.968 1.00 51.22 H new ATOM 0 HE1 MET A 1 10.988 21.105 9.600 1.00 4.30 H new ATOM 0 HE2 MET A 1 11.226 19.614 8.657 1.00 4.30 H new ATOM 0 HE3 MET A 1 12.418 20.932 8.554 1.00 4.30 H new ATOM 20 N LYS A 2 9.277 16.512 5.573 1.00 42.23 N ATOM 21 CA LYS A 2 9.140 15.070 5.258 1.00 41.25 C ATOM 22 C LYS A 2 7.871 14.789 4.411 1.00 0.53 C ATOM 23 O LYS A 2 6.768 15.235 4.754 1.00 45.30 O ATOM 24 CB LYS A 2 9.100 14.229 6.565 1.00 70.41 C ATOM 25 CG LYS A 2 10.420 14.230 7.366 1.00 74.15 C ATOM 26 CD LYS A 2 10.328 13.397 8.667 1.00 63.44 C ATOM 27 CE LYS A 2 11.693 13.246 9.368 1.00 42.23 C ATOM 28 NZ LYS A 2 12.683 12.530 8.513 1.00 35.43 N ATOM 0 H LYS A 2 8.962 16.758 6.511 1.00 42.23 H new ATOM 0 HA LYS A 2 10.011 14.779 4.670 1.00 41.25 H new ATOM 0 HB2 LYS A 2 8.302 14.609 7.203 1.00 70.41 H new ATOM 0 HB3 LYS A 2 8.843 13.200 6.313 1.00 70.41 H new ATOM 0 HG2 LYS A 2 11.220 13.833 6.741 1.00 74.15 H new ATOM 0 HG3 LYS A 2 10.689 15.257 7.615 1.00 74.15 H new ATOM 0 HD2 LYS A 2 9.623 13.872 9.350 1.00 63.44 H new ATOM 0 HD3 LYS A 2 9.931 12.409 8.435 1.00 63.44 H new ATOM 0 HE2 LYS A 2 12.081 14.232 9.623 1.00 42.23 H new ATOM 0 HE3 LYS A 2 11.562 12.703 10.304 1.00 42.23 H new ATOM 0 HZ1 LYS A 2 13.489 12.225 9.096 1.00 35.43 H new ATOM 0 HZ2 LYS A 2 12.232 11.697 8.083 1.00 35.43 H new ATOM 0 HZ3 LYS A 2 13.020 13.167 7.763 1.00 35.43 H new ATOM 42 N MET A 3 8.047 14.044 3.308 1.00 52.41 N ATOM 43 CA MET A 3 6.935 13.594 2.440 1.00 44.25 C ATOM 44 C MET A 3 6.127 12.438 3.092 1.00 11.45 C ATOM 45 O MET A 3 6.566 11.816 4.067 1.00 53.25 O ATOM 46 CB MET A 3 7.495 13.135 1.066 1.00 22.11 C ATOM 47 CG MET A 3 8.132 14.259 0.232 1.00 10.42 C ATOM 48 SD MET A 3 6.935 15.523 -0.272 1.00 31.12 S ATOM 49 CE MET A 3 5.819 14.594 -1.334 1.00 11.20 C ATOM 0 H MET A 3 8.964 13.734 2.988 1.00 52.41 H new ATOM 0 HA MET A 3 6.257 14.437 2.301 1.00 44.25 H new ATOM 0 HB2 MET A 3 8.239 12.356 1.233 1.00 22.11 H new ATOM 0 HB3 MET A 3 6.686 12.685 0.490 1.00 22.11 H new ATOM 0 HG2 MET A 3 8.928 14.728 0.811 1.00 10.42 H new ATOM 0 HG3 MET A 3 8.595 13.829 -0.656 1.00 10.42 H new ATOM 0 HE1 MET A 3 5.208 15.286 -1.914 1.00 11.20 H new ATOM 0 HE2 MET A 3 6.399 13.967 -2.011 1.00 11.20 H new ATOM 0 HE3 MET A 3 5.173 13.965 -0.721 1.00 11.20 H new ATOM 59 N LEU A 4 4.941 12.167 2.524 1.00 5.10 N ATOM 60 CA LEU A 4 4.084 11.012 2.912 1.00 51.41 C ATOM 61 C LEU A 4 4.794 9.627 2.743 1.00 21.20 C ATOM 62 O LEU A 4 4.392 8.648 3.373 1.00 31.14 O ATOM 63 CB LEU A 4 2.716 11.061 2.139 1.00 3.32 C ATOM 64 CG LEU A 4 2.732 11.544 0.637 1.00 12.45 C ATOM 65 CD1 LEU A 4 3.714 10.738 -0.239 1.00 31.32 C ATOM 66 CD2 LEU A 4 1.303 11.513 0.036 1.00 20.12 C ATOM 0 H LEU A 4 4.540 12.738 1.780 1.00 5.10 H new ATOM 0 HA LEU A 4 3.887 11.109 3.980 1.00 51.41 H new ATOM 0 HB2 LEU A 4 2.282 10.061 2.164 1.00 3.32 H new ATOM 0 HB3 LEU A 4 2.042 11.715 2.693 1.00 3.32 H new ATOM 0 HG LEU A 4 3.090 12.573 0.641 1.00 12.45 H new ATOM 0 HD11 LEU A 4 3.682 11.114 -1.262 1.00 31.32 H new ATOM 0 HD12 LEU A 4 4.725 10.844 0.156 1.00 31.32 H new ATOM 0 HD13 LEU A 4 3.430 9.686 -0.231 1.00 31.32 H new ATOM 0 HD21 LEU A 4 1.337 11.850 -1.000 1.00 20.12 H new ATOM 0 HD22 LEU A 4 0.914 10.495 0.074 1.00 20.12 H new ATOM 0 HD23 LEU A 4 0.652 12.172 0.611 1.00 20.12 H new ATOM 78 N LYS A 5 5.832 9.563 1.875 1.00 44.04 N ATOM 79 CA LYS A 5 6.639 8.333 1.663 1.00 64.23 C ATOM 80 C LYS A 5 7.614 8.114 2.853 1.00 31.51 C ATOM 81 O LYS A 5 7.858 6.979 3.276 1.00 23.22 O ATOM 82 CB LYS A 5 7.445 8.413 0.334 1.00 10.22 C ATOM 83 CG LYS A 5 8.025 7.050 -0.130 1.00 44.40 C ATOM 84 CD LYS A 5 9.083 7.163 -1.251 1.00 11.04 C ATOM 85 CE LYS A 5 10.369 7.866 -0.782 1.00 1.23 C ATOM 86 NZ LYS A 5 11.404 7.925 -1.843 1.00 33.20 N ATOM 0 H LYS A 5 6.133 10.354 1.306 1.00 44.04 H new ATOM 0 HA LYS A 5 5.951 7.490 1.601 1.00 64.23 H new ATOM 0 HB2 LYS A 5 6.798 8.807 -0.449 1.00 10.22 H new ATOM 0 HB3 LYS A 5 8.263 9.122 0.458 1.00 10.22 H new ATOM 0 HG2 LYS A 5 8.472 6.547 0.727 1.00 44.40 H new ATOM 0 HG3 LYS A 5 7.207 6.419 -0.479 1.00 44.40 H new ATOM 0 HD2 LYS A 5 9.330 6.165 -1.614 1.00 11.04 H new ATOM 0 HD3 LYS A 5 8.659 7.712 -2.092 1.00 11.04 H new ATOM 0 HE2 LYS A 5 10.128 8.878 -0.457 1.00 1.23 H new ATOM 0 HE3 LYS A 5 10.771 7.341 0.084 1.00 1.23 H new ATOM 0 HZ1 LYS A 5 11.889 8.844 -1.804 1.00 33.20 H new ATOM 0 HZ2 LYS A 5 12.096 7.163 -1.696 1.00 33.20 H new ATOM 0 HZ3 LYS A 5 10.954 7.810 -2.774 1.00 33.20 H new ATOM 100 N GLU A 6 8.173 9.234 3.369 1.00 74.01 N ATOM 101 CA GLU A 6 9.038 9.239 4.577 1.00 31.24 C ATOM 102 C GLU A 6 8.225 8.773 5.812 1.00 12.22 C ATOM 103 O GLU A 6 8.697 7.991 6.645 1.00 62.21 O ATOM 104 CB GLU A 6 9.608 10.669 4.826 1.00 32.53 C ATOM 105 CG GLU A 6 10.288 11.335 3.609 1.00 63.11 C ATOM 106 CD GLU A 6 11.478 10.537 3.052 1.00 70.24 C ATOM 107 OE1 GLU A 6 12.591 10.638 3.614 1.00 40.32 O ATOM 108 OE2 GLU A 6 11.305 9.805 2.055 1.00 63.30 O ATOM 0 H GLU A 6 8.038 10.159 2.962 1.00 74.01 H new ATOM 0 HA GLU A 6 9.869 8.552 4.416 1.00 31.24 H new ATOM 0 HB2 GLU A 6 8.795 11.312 5.163 1.00 32.53 H new ATOM 0 HB3 GLU A 6 10.331 10.616 5.640 1.00 32.53 H new ATOM 0 HG2 GLU A 6 9.549 11.467 2.819 1.00 63.11 H new ATOM 0 HG3 GLU A 6 10.631 12.329 3.895 1.00 63.11 H new ATOM 115 N LYS A 7 6.987 9.290 5.884 1.00 4.44 N ATOM 116 CA LYS A 7 5.967 8.889 6.876 1.00 72.01 C ATOM 117 C LYS A 7 5.636 7.376 6.781 1.00 54.21 C ATOM 118 O LYS A 7 5.588 6.686 7.790 1.00 20.34 O ATOM 119 CB LYS A 7 4.684 9.715 6.628 1.00 65.43 C ATOM 120 CG LYS A 7 3.467 9.331 7.505 1.00 43.21 C ATOM 121 CD LYS A 7 2.155 9.947 6.983 1.00 62.42 C ATOM 122 CE LYS A 7 2.206 11.486 6.933 1.00 60.22 C ATOM 123 NZ LYS A 7 0.906 12.080 6.556 1.00 52.03 N ATOM 0 H LYS A 7 6.658 10.012 5.243 1.00 4.44 H new ATOM 0 HA LYS A 7 6.362 9.079 7.874 1.00 72.01 H new ATOM 0 HB2 LYS A 7 4.912 10.768 6.794 1.00 65.43 H new ATOM 0 HB3 LYS A 7 4.402 9.611 5.580 1.00 65.43 H new ATOM 0 HG2 LYS A 7 3.370 8.246 7.534 1.00 43.21 H new ATOM 0 HG3 LYS A 7 3.640 9.663 8.529 1.00 43.21 H new ATOM 0 HD2 LYS A 7 1.948 9.561 5.985 1.00 62.42 H new ATOM 0 HD3 LYS A 7 1.330 9.634 7.624 1.00 62.42 H new ATOM 0 HE2 LYS A 7 2.508 11.869 7.908 1.00 60.22 H new ATOM 0 HE3 LYS A 7 2.967 11.799 6.218 1.00 60.22 H new ATOM 0 HZ1 LYS A 7 0.995 13.116 6.519 1.00 52.03 H new ATOM 0 HZ2 LYS A 7 0.619 11.724 5.622 1.00 52.03 H new ATOM 0 HZ3 LYS A 7 0.188 11.819 7.261 1.00 52.03 H new ATOM 137 N ALA A 8 5.394 6.901 5.543 1.00 12.53 N ATOM 138 CA ALA A 8 5.099 5.474 5.246 1.00 1.02 C ATOM 139 C ALA A 8 6.252 4.542 5.699 1.00 2.11 C ATOM 140 O ALA A 8 6.027 3.412 6.156 1.00 73.23 O ATOM 141 CB ALA A 8 4.824 5.311 3.743 1.00 51.15 C ATOM 0 H ALA A 8 5.396 7.494 4.713 1.00 12.53 H new ATOM 0 HA ALA A 8 4.213 5.181 5.810 1.00 1.02 H new ATOM 0 HB1 ALA A 8 4.608 4.265 3.524 1.00 51.15 H new ATOM 0 HB2 ALA A 8 3.969 5.925 3.461 1.00 51.15 H new ATOM 0 HB3 ALA A 8 5.700 5.627 3.176 1.00 51.15 H new ATOM 147 N GLY A 9 7.484 5.067 5.586 1.00 43.04 N ATOM 148 CA GLY A 9 8.694 4.382 6.060 1.00 44.33 C ATOM 149 C GLY A 9 8.806 4.341 7.591 1.00 2.04 C ATOM 150 O GLY A 9 9.329 3.375 8.162 1.00 41.23 O ATOM 0 H GLY A 9 7.667 5.977 5.164 1.00 43.04 H new ATOM 0 HA2 GLY A 9 8.701 3.363 5.674 1.00 44.33 H new ATOM 0 HA3 GLY A 9 9.571 4.884 5.651 1.00 44.33 H new ATOM 154 N ALA A 10 8.316 5.412 8.248 1.00 25.45 N ATOM 155 CA ALA A 10 8.259 5.510 9.726 1.00 65.45 C ATOM 156 C ALA A 10 7.202 4.535 10.313 1.00 11.21 C ATOM 157 O ALA A 10 7.476 3.815 11.275 1.00 53.14 O ATOM 158 CB ALA A 10 7.953 6.960 10.153 1.00 32.42 C ATOM 0 H ALA A 10 7.948 6.235 7.771 1.00 25.45 H new ATOM 0 HA ALA A 10 9.233 5.224 10.123 1.00 65.45 H new ATOM 0 HB1 ALA A 10 7.914 7.018 11.241 1.00 32.42 H new ATOM 0 HB2 ALA A 10 8.736 7.621 9.782 1.00 32.42 H new ATOM 0 HB3 ALA A 10 6.993 7.266 9.738 1.00 32.42 H new ATOM 164 N LEU A 11 5.997 4.505 9.689 1.00 14.24 N ATOM 165 CA LEU A 11 4.872 3.611 10.087 1.00 22.15 C ATOM 166 C LEU A 11 5.261 2.117 9.954 1.00 41.35 C ATOM 167 O LEU A 11 4.777 1.274 10.709 1.00 70.11 O ATOM 168 CB LEU A 11 3.610 3.913 9.221 1.00 42.42 C ATOM 169 CG LEU A 11 3.022 5.359 9.329 1.00 32.02 C ATOM 170 CD1 LEU A 11 1.844 5.565 8.351 1.00 44.13 C ATOM 171 CD2 LEU A 11 2.613 5.699 10.783 1.00 64.23 C ATOM 0 H LEU A 11 5.774 5.101 8.892 1.00 14.24 H new ATOM 0 HA LEU A 11 4.645 3.808 11.135 1.00 22.15 H new ATOM 0 HB2 LEU A 11 3.858 3.722 8.177 1.00 42.42 H new ATOM 0 HB3 LEU A 11 2.829 3.205 9.497 1.00 42.42 H new ATOM 0 HG LEU A 11 3.812 6.052 9.041 1.00 32.02 H new ATOM 0 HD11 LEU A 11 1.460 6.580 8.453 1.00 44.13 H new ATOM 0 HD12 LEU A 11 2.188 5.408 7.329 1.00 44.13 H new ATOM 0 HD13 LEU A 11 1.052 4.852 8.581 1.00 44.13 H new ATOM 0 HD21 LEU A 11 2.209 6.711 10.820 1.00 64.23 H new ATOM 0 HD22 LEU A 11 1.855 4.993 11.122 1.00 64.23 H new ATOM 0 HD23 LEU A 11 3.487 5.633 11.432 1.00 64.23 H new ATOM 183 N ALA A 12 6.142 1.824 8.984 1.00 54.54 N ATOM 184 CA ALA A 12 6.680 0.468 8.738 1.00 63.44 C ATOM 185 C ALA A 12 7.360 -0.160 9.980 1.00 14.10 C ATOM 186 O ALA A 12 7.128 -1.334 10.290 1.00 34.43 O ATOM 187 CB ALA A 12 7.679 0.508 7.578 1.00 41.33 C ATOM 0 H ALA A 12 6.507 2.526 8.340 1.00 54.54 H new ATOM 0 HA ALA A 12 5.826 -0.163 8.491 1.00 63.44 H new ATOM 0 HB1 ALA A 12 8.072 -0.493 7.401 1.00 41.33 H new ATOM 0 HB2 ALA A 12 7.178 0.865 6.678 1.00 41.33 H new ATOM 0 HB3 ALA A 12 8.499 1.181 7.827 1.00 41.33 H new ATOM 193 N GLY A 13 8.195 0.643 10.667 1.00 53.12 N ATOM 194 CA GLY A 13 8.988 0.174 11.818 1.00 24.22 C ATOM 195 C GLY A 13 8.154 -0.449 12.946 1.00 34.02 C ATOM 196 O GLY A 13 8.400 -1.590 13.350 1.00 42.52 O ATOM 0 H GLY A 13 8.338 1.627 10.442 1.00 53.12 H new ATOM 0 HA2 GLY A 13 9.713 -0.561 11.469 1.00 24.22 H new ATOM 0 HA3 GLY A 13 9.554 1.014 12.221 1.00 24.22 H new ATOM 200 N GLN A 14 7.140 0.298 13.408 1.00 0.42 N ATOM 201 CA GLN A 14 6.235 -0.139 14.495 1.00 73.41 C ATOM 202 C GLN A 14 5.340 -1.340 14.070 1.00 53.12 C ATOM 203 O GLN A 14 5.075 -2.226 14.883 1.00 63.20 O ATOM 204 CB GLN A 14 5.357 1.051 14.973 1.00 40.31 C ATOM 205 CG GLN A 14 4.473 1.683 13.874 1.00 70.24 C ATOM 206 CD GLN A 14 3.597 2.835 14.367 1.00 1.43 C ATOM 207 OE1 GLN A 14 3.191 2.873 15.518 1.00 55.13 O ATOM 208 NE2 GLN A 14 3.282 3.771 13.492 1.00 31.44 N ATOM 0 H GLN A 14 6.920 1.224 13.042 1.00 0.42 H new ATOM 0 HA GLN A 14 6.859 -0.481 15.321 1.00 73.41 H new ATOM 0 HB2 GLN A 14 4.715 0.708 15.784 1.00 40.31 H new ATOM 0 HB3 GLN A 14 6.008 1.822 15.385 1.00 40.31 H new ATOM 0 HG2 GLN A 14 5.114 2.046 13.070 1.00 70.24 H new ATOM 0 HG3 GLN A 14 3.833 0.910 13.448 1.00 70.24 H new ATOM 0 HE21 GLN A 14 3.635 3.715 12.537 1.00 31.44 H new ATOM 0 HE22 GLN A 14 2.686 4.550 13.771 1.00 31.44 H new ATOM 217 N ILE A 15 4.872 -1.349 12.796 1.00 13.42 N ATOM 218 CA ILE A 15 4.001 -2.434 12.253 1.00 24.34 C ATOM 219 C ILE A 15 4.760 -3.781 12.180 1.00 11.53 C ATOM 220 O ILE A 15 4.217 -4.834 12.539 1.00 53.31 O ATOM 221 CB ILE A 15 3.393 -2.029 10.848 1.00 63.32 C ATOM 222 CG1 ILE A 15 2.408 -0.824 11.019 1.00 25.43 C ATOM 223 CG2 ILE A 15 2.686 -3.219 10.139 1.00 55.31 C ATOM 224 CD1 ILE A 15 1.752 -0.338 9.736 1.00 75.12 C ATOM 0 H ILE A 15 5.082 -0.615 12.119 1.00 13.42 H new ATOM 0 HA ILE A 15 3.168 -2.569 12.943 1.00 24.34 H new ATOM 0 HB ILE A 15 4.223 -1.731 10.207 1.00 63.32 H new ATOM 0 HG12 ILE A 15 1.626 -1.111 11.722 1.00 25.43 H new ATOM 0 HG13 ILE A 15 2.951 0.008 11.468 1.00 25.43 H new ATOM 0 HG21 ILE A 15 2.287 -2.887 9.181 1.00 55.31 H new ATOM 0 HG22 ILE A 15 3.404 -4.023 9.974 1.00 55.31 H new ATOM 0 HG23 ILE A 15 1.871 -3.583 10.764 1.00 55.31 H new ATOM 0 HD11 ILE A 15 1.089 0.498 9.960 1.00 75.12 H new ATOM 0 HD12 ILE A 15 2.521 -0.013 9.035 1.00 75.12 H new ATOM 0 HD13 ILE A 15 1.175 -1.150 9.292 1.00 75.12 H new ATOM 236 N TRP A 16 6.025 -3.717 11.738 1.00 63.53 N ATOM 237 CA TRP A 16 6.940 -4.876 11.731 1.00 32.25 C ATOM 238 C TRP A 16 7.198 -5.395 13.175 1.00 14.32 C ATOM 239 O TRP A 16 7.156 -6.602 13.422 1.00 25.52 O ATOM 240 CB TRP A 16 8.278 -4.495 11.043 1.00 11.11 C ATOM 241 CG TRP A 16 9.221 -5.667 10.885 1.00 61.02 C ATOM 242 CD1 TRP A 16 9.222 -6.583 9.873 1.00 35.32 C ATOM 243 CD2 TRP A 16 10.269 -6.065 11.787 1.00 24.14 C ATOM 244 NE1 TRP A 16 10.219 -7.505 10.074 1.00 12.32 N ATOM 245 CE2 TRP A 16 10.871 -7.212 11.246 1.00 15.43 C ATOM 246 CE3 TRP A 16 10.758 -5.549 12.995 1.00 2.42 C ATOM 247 CZ2 TRP A 16 11.934 -7.857 11.869 1.00 64.34 C ATOM 248 CZ3 TRP A 16 11.808 -6.193 13.618 1.00 75.41 C ATOM 249 CH2 TRP A 16 12.389 -7.335 13.053 1.00 33.32 C ATOM 0 H TRP A 16 6.446 -2.862 11.375 1.00 63.53 H new ATOM 0 HA TRP A 16 6.469 -5.680 11.166 1.00 32.25 H new ATOM 0 HB2 TRP A 16 8.067 -4.072 10.061 1.00 11.11 H new ATOM 0 HB3 TRP A 16 8.770 -3.717 11.626 1.00 11.11 H new ATOM 0 HD1 TRP A 16 8.539 -6.582 9.037 1.00 35.32 H new ATOM 0 HE1 TRP A 16 10.440 -8.283 9.452 1.00 12.32 H new ATOM 0 HE3 TRP A 16 10.321 -4.663 13.431 1.00 2.42 H new ATOM 0 HZ2 TRP A 16 12.385 -8.738 11.436 1.00 64.34 H new ATOM 0 HZ3 TRP A 16 12.187 -5.811 14.554 1.00 75.41 H new ATOM 0 HH2 TRP A 16 13.213 -7.815 13.560 1.00 33.32 H new ATOM 260 N GLU A 17 7.478 -4.462 14.113 1.00 23.10 N ATOM 261 CA GLU A 17 7.707 -4.785 15.551 1.00 22.21 C ATOM 262 C GLU A 17 6.435 -5.350 16.240 1.00 75.31 C ATOM 263 O GLU A 17 6.538 -6.125 17.199 1.00 52.31 O ATOM 264 CB GLU A 17 8.252 -3.534 16.303 1.00 42.44 C ATOM 265 CG GLU A 17 9.697 -3.163 15.923 1.00 54.15 C ATOM 266 CD GLU A 17 10.179 -1.855 16.573 1.00 22.50 C ATOM 267 OE1 GLU A 17 10.453 -1.852 17.797 1.00 73.42 O ATOM 268 OE2 GLU A 17 10.277 -0.820 15.871 1.00 35.24 O ATOM 0 H GLU A 17 7.553 -3.467 13.902 1.00 23.10 H new ATOM 0 HA GLU A 17 8.457 -5.575 15.597 1.00 22.21 H new ATOM 0 HB2 GLU A 17 7.602 -2.684 16.095 1.00 42.44 H new ATOM 0 HB3 GLU A 17 8.204 -3.717 17.376 1.00 42.44 H new ATOM 0 HG2 GLU A 17 10.363 -3.974 16.218 1.00 54.15 H new ATOM 0 HG3 GLU A 17 9.768 -3.070 14.839 1.00 54.15 H new ATOM 275 N ALA A 18 5.249 -4.976 15.721 1.00 32.24 N ATOM 276 CA ALA A 18 3.949 -5.543 16.168 1.00 24.23 C ATOM 277 C ALA A 18 3.828 -7.034 15.764 1.00 40.30 C ATOM 278 O ALA A 18 3.278 -7.847 16.506 1.00 5.03 O ATOM 279 CB ALA A 18 2.776 -4.734 15.578 1.00 42.33 C ATOM 0 H ALA A 18 5.159 -4.277 14.984 1.00 32.24 H new ATOM 0 HA ALA A 18 3.908 -5.478 17.255 1.00 24.23 H new ATOM 0 HB1 ALA A 18 1.832 -5.163 15.915 1.00 42.33 H new ATOM 0 HB2 ALA A 18 2.844 -3.699 15.912 1.00 42.33 H new ATOM 0 HB3 ALA A 18 2.822 -4.768 14.489 1.00 42.33 H new ATOM 285 N LEU A 19 4.343 -7.360 14.565 1.00 31.03 N ATOM 286 CA LEU A 19 4.407 -8.743 14.032 1.00 15.01 C ATOM 287 C LEU A 19 5.590 -9.553 14.628 1.00 20.02 C ATOM 288 O LEU A 19 5.553 -10.790 14.663 1.00 33.14 O ATOM 289 CB LEU A 19 4.560 -8.672 12.493 1.00 63.53 C ATOM 290 CG LEU A 19 3.375 -8.016 11.726 1.00 34.34 C ATOM 291 CD1 LEU A 19 3.749 -7.738 10.255 1.00 22.24 C ATOM 292 CD2 LEU A 19 2.110 -8.894 11.842 1.00 62.23 C ATOM 0 H LEU A 19 4.733 -6.666 13.927 1.00 31.03 H new ATOM 0 HA LEU A 19 3.488 -9.256 14.314 1.00 15.01 H new ATOM 0 HB2 LEU A 19 5.470 -8.117 12.262 1.00 63.53 H new ATOM 0 HB3 LEU A 19 4.699 -9.684 12.113 1.00 63.53 H new ATOM 0 HG LEU A 19 3.155 -7.052 12.185 1.00 34.34 H new ATOM 0 HD11 LEU A 19 2.902 -7.280 9.745 1.00 22.24 H new ATOM 0 HD12 LEU A 19 4.604 -7.062 10.218 1.00 22.24 H new ATOM 0 HD13 LEU A 19 4.006 -8.675 9.762 1.00 22.24 H new ATOM 0 HD21 LEU A 19 1.289 -8.423 11.301 1.00 62.23 H new ATOM 0 HD22 LEU A 19 2.309 -9.877 11.415 1.00 62.23 H new ATOM 0 HD23 LEU A 19 1.837 -9.003 12.892 1.00 62.23 H new ATOM 304 N ASN A 20 6.635 -8.838 15.085 1.00 2.45 N ATOM 305 CA ASN A 20 7.903 -9.452 15.527 1.00 63.20 C ATOM 306 C ASN A 20 7.739 -10.210 16.869 1.00 34.41 C ATOM 307 O ASN A 20 7.385 -9.616 17.890 1.00 25.21 O ATOM 308 CB ASN A 20 9.015 -8.378 15.621 1.00 72.44 C ATOM 309 CG ASN A 20 10.375 -8.981 15.950 1.00 41.31 C ATOM 310 OD1 ASN A 20 10.783 -9.036 17.099 1.00 22.21 O ATOM 311 ND2 ASN A 20 11.062 -9.473 14.943 1.00 74.01 N ATOM 0 H ASN A 20 6.625 -7.821 15.158 1.00 2.45 H new ATOM 0 HA ASN A 20 8.196 -10.190 14.781 1.00 63.20 H new ATOM 0 HB2 ASN A 20 9.078 -7.840 14.675 1.00 72.44 H new ATOM 0 HB3 ASN A 20 8.749 -7.649 16.386 1.00 72.44 H new ATOM 0 HD21 ASN A 20 11.965 -9.917 15.110 1.00 74.01 H new ATOM 0 HD22 ASN A 20 10.692 -9.411 13.994 1.00 74.01 H new ATOM 318 N GLY A 21 8.044 -11.522 16.845 1.00 22.13 N ATOM 319 CA GLY A 21 7.855 -12.412 18.009 1.00 62.33 C ATOM 320 C GLY A 21 6.631 -13.338 17.907 1.00 71.22 C ATOM 321 O GLY A 21 6.412 -14.165 18.791 1.00 4.35 O ATOM 0 H GLY A 21 8.426 -11.993 16.025 1.00 22.13 H new ATOM 0 HA2 GLY A 21 8.749 -13.023 18.133 1.00 62.33 H new ATOM 0 HA3 GLY A 21 7.760 -11.801 18.907 1.00 62.33 H new ATOM 325 N THR A 22 5.832 -13.213 16.823 1.00 51.12 N ATOM 326 CA THR A 22 4.627 -14.066 16.588 1.00 72.02 C ATOM 327 C THR A 22 4.678 -14.750 15.203 1.00 14.41 C ATOM 328 O THR A 22 5.596 -14.512 14.405 1.00 74.02 O ATOM 329 CB THR A 22 3.282 -13.257 16.710 1.00 45.50 C ATOM 330 OG1 THR A 22 3.280 -12.141 15.806 1.00 23.33 O ATOM 331 CG2 THR A 22 3.025 -12.771 18.148 1.00 63.10 C ATOM 0 H THR A 22 5.996 -12.526 16.087 1.00 51.12 H new ATOM 0 HA THR A 22 4.645 -14.825 17.370 1.00 72.02 H new ATOM 0 HB THR A 22 2.474 -13.938 16.443 1.00 45.50 H new ATOM 0 HG1 THR A 22 4.203 -11.894 15.589 1.00 23.33 H new ATOM 0 HG21 THR A 22 2.086 -12.218 18.183 1.00 63.10 H new ATOM 0 HG22 THR A 22 2.966 -13.629 18.817 1.00 63.10 H new ATOM 0 HG23 THR A 22 3.841 -12.121 18.464 1.00 63.10 H new ATOM 339 N GLU A 23 3.669 -15.606 14.933 1.00 1.21 N ATOM 340 CA GLU A 23 3.495 -16.287 13.622 1.00 3.54 C ATOM 341 C GLU A 23 2.806 -15.369 12.575 1.00 34.03 C ATOM 342 O GLU A 23 2.623 -15.765 11.417 1.00 73.44 O ATOM 343 CB GLU A 23 2.654 -17.583 13.810 1.00 64.33 C ATOM 344 CG GLU A 23 3.211 -18.582 14.852 1.00 72.14 C ATOM 345 CD GLU A 23 4.652 -19.046 14.556 1.00 55.41 C ATOM 346 OE1 GLU A 23 4.830 -19.959 13.721 1.00 3.01 O ATOM 347 OE2 GLU A 23 5.609 -18.490 15.148 1.00 43.44 O ATOM 0 H GLU A 23 2.950 -15.848 15.615 1.00 1.21 H new ATOM 0 HA GLU A 23 4.488 -16.534 13.246 1.00 3.54 H new ATOM 0 HB2 GLU A 23 1.643 -17.302 14.104 1.00 64.33 H new ATOM 0 HB3 GLU A 23 2.577 -18.090 12.848 1.00 64.33 H new ATOM 0 HG2 GLU A 23 3.183 -18.118 15.838 1.00 72.14 H new ATOM 0 HG3 GLU A 23 2.558 -19.454 14.891 1.00 72.14 H new ATOM 354 N GLY A 24 2.444 -14.143 12.995 1.00 13.13 N ATOM 355 CA GLY A 24 1.669 -13.211 12.173 1.00 11.32 C ATOM 356 C GLY A 24 0.364 -12.781 12.847 1.00 43.53 C ATOM 357 O GLY A 24 -0.207 -13.529 13.648 1.00 64.44 O ATOM 0 H GLY A 24 2.684 -13.775 13.916 1.00 13.13 H new ATOM 0 HA2 GLY A 24 2.273 -12.329 11.962 1.00 11.32 H new ATOM 0 HA3 GLY A 24 1.442 -13.679 11.215 1.00 11.32 H new ATOM 361 N LEU A 25 -0.120 -11.574 12.502 1.00 3.10 N ATOM 362 CA LEU A 25 -1.336 -10.975 13.102 1.00 33.01 C ATOM 363 C LEU A 25 -2.309 -10.474 12.006 1.00 63.00 C ATOM 364 O LEU A 25 -1.915 -10.254 10.857 1.00 34.21 O ATOM 365 CB LEU A 25 -0.956 -9.788 14.034 1.00 53.22 C ATOM 366 CG LEU A 25 -0.087 -10.119 15.292 1.00 20.43 C ATOM 367 CD1 LEU A 25 0.260 -8.833 16.074 1.00 64.05 C ATOM 368 CD2 LEU A 25 -0.780 -11.161 16.204 1.00 3.11 C ATOM 0 H LEU A 25 0.319 -10.981 11.798 1.00 3.10 H new ATOM 0 HA LEU A 25 -1.832 -11.750 13.686 1.00 33.01 H new ATOM 0 HB2 LEU A 25 -0.421 -9.048 13.438 1.00 53.22 H new ATOM 0 HB3 LEU A 25 -1.878 -9.317 14.374 1.00 53.22 H new ATOM 0 HG LEU A 25 0.845 -10.564 14.943 1.00 20.43 H new ATOM 0 HD11 LEU A 25 0.865 -9.088 16.944 1.00 64.05 H new ATOM 0 HD12 LEU A 25 0.820 -8.155 15.430 1.00 64.05 H new ATOM 0 HD13 LEU A 25 -0.659 -8.347 16.401 1.00 64.05 H new ATOM 0 HD21 LEU A 25 -0.148 -11.366 17.068 1.00 3.11 H new ATOM 0 HD22 LEU A 25 -1.739 -10.768 16.542 1.00 3.11 H new ATOM 0 HD23 LEU A 25 -0.942 -12.083 15.645 1.00 3.11 H new ATOM 380 N THR A 26 -3.579 -10.286 12.393 1.00 42.33 N ATOM 381 CA THR A 26 -4.607 -9.632 11.546 1.00 60.10 C ATOM 382 C THR A 26 -4.479 -8.093 11.617 1.00 40.24 C ATOM 383 O THR A 26 -3.845 -7.570 12.535 1.00 21.04 O ATOM 384 CB THR A 26 -6.043 -10.021 12.015 1.00 73.43 C ATOM 385 OG1 THR A 26 -6.234 -9.610 13.384 1.00 2.22 O ATOM 386 CG2 THR A 26 -6.318 -11.526 11.883 1.00 51.21 C ATOM 0 H THR A 26 -3.931 -10.581 13.304 1.00 42.33 H new ATOM 0 HA THR A 26 -4.445 -9.972 10.523 1.00 60.10 H new ATOM 0 HB THR A 26 -6.748 -9.505 11.363 1.00 73.43 H new ATOM 0 HG1 THR A 26 -7.137 -9.854 13.676 1.00 2.22 H new ATOM 0 HG21 THR A 26 -7.331 -11.742 12.223 1.00 51.21 H new ATOM 0 HG22 THR A 26 -6.214 -11.825 10.840 1.00 51.21 H new ATOM 0 HG23 THR A 26 -5.605 -12.081 12.492 1.00 51.21 H new ATOM 394 N GLN A 27 -5.123 -7.373 10.670 1.00 14.53 N ATOM 395 CA GLN A 27 -5.126 -5.885 10.655 1.00 42.24 C ATOM 396 C GLN A 27 -5.771 -5.294 11.945 1.00 43.11 C ATOM 397 O GLN A 27 -5.436 -4.184 12.352 1.00 54.12 O ATOM 398 CB GLN A 27 -5.827 -5.336 9.374 1.00 55.30 C ATOM 399 CG GLN A 27 -7.330 -5.665 9.240 1.00 53.01 C ATOM 400 CD GLN A 27 -7.971 -5.089 7.971 1.00 44.34 C ATOM 401 OE1 GLN A 27 -8.019 -5.737 6.931 1.00 24.52 O ATOM 402 NE2 GLN A 27 -8.452 -3.863 8.041 1.00 12.35 N ATOM 0 H GLN A 27 -5.649 -7.795 9.904 1.00 14.53 H new ATOM 0 HA GLN A 27 -4.086 -5.560 10.635 1.00 42.24 H new ATOM 0 HB2 GLN A 27 -5.708 -4.253 9.353 1.00 55.30 H new ATOM 0 HB3 GLN A 27 -5.308 -5.731 8.501 1.00 55.30 H new ATOM 0 HG2 GLN A 27 -7.459 -6.747 9.244 1.00 53.01 H new ATOM 0 HG3 GLN A 27 -7.858 -5.278 10.112 1.00 53.01 H new ATOM 0 HE21 GLN A 27 -8.400 -3.344 8.918 1.00 12.35 H new ATOM 0 HE22 GLN A 27 -8.876 -3.434 7.218 1.00 12.35 H new ATOM 411 N LYS A 28 -6.710 -6.055 12.556 1.00 53.43 N ATOM 412 CA LYS A 28 -7.256 -5.766 13.913 1.00 4.35 C ATOM 413 C LYS A 28 -6.133 -5.676 14.987 1.00 52.51 C ATOM 414 O LYS A 28 -6.017 -4.671 15.698 1.00 71.00 O ATOM 415 CB LYS A 28 -8.273 -6.877 14.334 1.00 35.41 C ATOM 416 CG LYS A 28 -9.666 -6.804 13.670 1.00 32.23 C ATOM 417 CD LYS A 28 -10.466 -5.548 14.104 1.00 13.14 C ATOM 418 CE LYS A 28 -11.954 -5.629 13.726 1.00 72.52 C ATOM 419 NZ LYS A 28 -12.158 -5.797 12.269 1.00 31.52 N ATOM 0 H LYS A 28 -7.113 -6.887 12.126 1.00 53.43 H new ATOM 0 HA LYS A 28 -7.756 -4.799 13.857 1.00 4.35 H new ATOM 0 HB2 LYS A 28 -7.834 -7.849 14.107 1.00 35.41 H new ATOM 0 HB3 LYS A 28 -8.404 -6.831 15.415 1.00 35.41 H new ATOM 0 HG2 LYS A 28 -9.549 -6.799 12.586 1.00 32.23 H new ATOM 0 HG3 LYS A 28 -10.234 -7.699 13.925 1.00 32.23 H new ATOM 0 HD2 LYS A 28 -10.376 -5.421 15.183 1.00 13.14 H new ATOM 0 HD3 LYS A 28 -10.026 -4.665 13.641 1.00 13.14 H new ATOM 0 HE2 LYS A 28 -12.415 -6.464 14.253 1.00 72.52 H new ATOM 0 HE3 LYS A 28 -12.460 -4.723 14.059 1.00 72.52 H new ATOM 0 HZ1 LYS A 28 -12.756 -5.025 11.911 1.00 31.52 H new ATOM 0 HZ2 LYS A 28 -11.238 -5.776 11.785 1.00 31.52 H new ATOM 0 HZ3 LYS A 28 -12.624 -6.709 12.087 1.00 31.52 H new ATOM 433 N GLN A 29 -5.303 -6.736 15.058 1.00 64.13 N ATOM 434 CA GLN A 29 -4.255 -6.895 16.100 1.00 42.45 C ATOM 435 C GLN A 29 -3.062 -5.943 15.880 1.00 4.41 C ATOM 436 O GLN A 29 -2.510 -5.393 16.843 1.00 22.31 O ATOM 437 CB GLN A 29 -3.757 -8.366 16.143 1.00 12.44 C ATOM 438 CG GLN A 29 -4.821 -9.419 16.537 1.00 62.02 C ATOM 439 CD GLN A 29 -5.312 -9.338 17.998 1.00 45.42 C ATOM 440 OE1 GLN A 29 -5.400 -8.274 18.601 1.00 63.13 O ATOM 441 NE2 GLN A 29 -5.640 -10.472 18.578 1.00 15.01 N ATOM 0 H GLN A 29 -5.336 -7.511 14.395 1.00 64.13 H new ATOM 0 HA GLN A 29 -4.711 -6.635 17.055 1.00 42.45 H new ATOM 0 HB2 GLN A 29 -3.360 -8.626 15.162 1.00 12.44 H new ATOM 0 HB3 GLN A 29 -2.929 -8.430 16.849 1.00 12.44 H new ATOM 0 HG2 GLN A 29 -5.680 -9.310 15.875 1.00 62.02 H new ATOM 0 HG3 GLN A 29 -4.408 -10.413 16.363 1.00 62.02 H new ATOM 0 HE21 GLN A 29 -5.562 -11.349 18.064 1.00 15.01 H new ATOM 0 HE22 GLN A 29 -5.973 -10.474 19.542 1.00 15.01 H new ATOM 450 N ILE A 30 -2.673 -5.775 14.607 1.00 50.24 N ATOM 451 CA ILE A 30 -1.573 -4.875 14.204 1.00 40.12 C ATOM 452 C ILE A 30 -1.910 -3.405 14.540 1.00 52.24 C ATOM 453 O ILE A 30 -1.140 -2.734 15.220 1.00 75.34 O ATOM 454 CB ILE A 30 -1.276 -5.015 12.664 1.00 61.33 C ATOM 455 CG1 ILE A 30 -0.850 -6.476 12.320 1.00 3.01 C ATOM 456 CG2 ILE A 30 -0.200 -4.001 12.197 1.00 14.32 C ATOM 457 CD1 ILE A 30 -0.750 -6.790 10.835 1.00 42.30 C ATOM 0 H ILE A 30 -3.111 -6.259 13.823 1.00 50.24 H new ATOM 0 HA ILE A 30 -0.684 -5.166 14.764 1.00 40.12 H new ATOM 0 HB ILE A 30 -2.195 -4.786 12.125 1.00 61.33 H new ATOM 0 HG12 ILE A 30 0.117 -6.674 12.783 1.00 3.01 H new ATOM 0 HG13 ILE A 30 -1.566 -7.162 12.772 1.00 3.01 H new ATOM 0 HG21 ILE A 30 -0.021 -4.127 11.129 1.00 14.32 H new ATOM 0 HG22 ILE A 30 -0.548 -2.986 12.390 1.00 14.32 H new ATOM 0 HG23 ILE A 30 0.727 -4.176 12.744 1.00 14.32 H new ATOM 0 HD11 ILE A 30 -0.448 -7.829 10.702 1.00 42.30 H new ATOM 0 HD12 ILE A 30 -1.720 -6.631 10.363 1.00 42.30 H new ATOM 0 HD13 ILE A 30 -0.011 -6.135 10.374 1.00 42.30 H new ATOM 469 N LYS A 31 -3.088 -2.943 14.073 1.00 12.23 N ATOM 470 CA LYS A 31 -3.552 -1.541 14.250 1.00 15.34 C ATOM 471 C LYS A 31 -3.712 -1.172 15.753 1.00 74.34 C ATOM 472 O LYS A 31 -3.453 -0.035 16.158 1.00 0.44 O ATOM 473 CB LYS A 31 -4.891 -1.333 13.492 1.00 5.24 C ATOM 474 CG LYS A 31 -5.314 0.139 13.304 1.00 31.53 C ATOM 475 CD LYS A 31 -6.714 0.321 12.658 1.00 41.13 C ATOM 476 CE LYS A 31 -7.887 0.132 13.647 1.00 21.53 C ATOM 477 NZ LYS A 31 -7.946 -1.228 14.248 1.00 41.05 N ATOM 0 H LYS A 31 -3.749 -3.528 13.561 1.00 12.23 H new ATOM 0 HA LYS A 31 -2.794 -0.878 13.834 1.00 15.34 H new ATOM 0 HB2 LYS A 31 -4.812 -1.800 12.510 1.00 5.24 H new ATOM 0 HB3 LYS A 31 -5.681 -1.856 14.031 1.00 5.24 H new ATOM 0 HG2 LYS A 31 -5.307 0.634 14.275 1.00 31.53 H new ATOM 0 HG3 LYS A 31 -4.572 0.642 12.684 1.00 31.53 H new ATOM 0 HD2 LYS A 31 -6.776 1.318 12.222 1.00 41.13 H new ATOM 0 HD3 LYS A 31 -6.822 -0.392 11.840 1.00 41.13 H new ATOM 0 HE2 LYS A 31 -7.801 0.869 14.445 1.00 21.53 H new ATOM 0 HE3 LYS A 31 -8.825 0.332 13.128 1.00 21.53 H new ATOM 0 HZ1 LYS A 31 -8.911 -1.416 14.586 1.00 41.05 H new ATOM 0 HZ2 LYS A 31 -7.686 -1.936 13.532 1.00 41.05 H new ATOM 0 HZ3 LYS A 31 -7.282 -1.284 15.047 1.00 41.05 H new ATOM 491 N LYS A 32 -4.142 -2.165 16.560 1.00 75.14 N ATOM 492 CA LYS A 32 -4.261 -2.028 18.029 1.00 44.22 C ATOM 493 C LYS A 32 -2.869 -1.884 18.705 1.00 21.23 C ATOM 494 O LYS A 32 -2.659 -0.977 19.522 1.00 30.44 O ATOM 495 CB LYS A 32 -5.035 -3.244 18.625 1.00 74.34 C ATOM 496 CG LYS A 32 -5.199 -3.212 20.167 1.00 42.31 C ATOM 497 CD LYS A 32 -5.994 -1.972 20.662 1.00 24.21 C ATOM 498 CE LYS A 32 -5.883 -1.755 22.182 1.00 40.40 C ATOM 499 NZ LYS A 32 -6.417 -2.902 22.966 1.00 30.05 N ATOM 0 H LYS A 32 -4.416 -3.084 16.213 1.00 75.14 H new ATOM 0 HA LYS A 32 -4.822 -1.116 18.234 1.00 44.22 H new ATOM 0 HB2 LYS A 32 -6.024 -3.288 18.168 1.00 74.34 H new ATOM 0 HB3 LYS A 32 -4.515 -4.161 18.347 1.00 74.34 H new ATOM 0 HG2 LYS A 32 -5.709 -4.119 20.493 1.00 42.31 H new ATOM 0 HG3 LYS A 32 -4.214 -3.216 20.633 1.00 42.31 H new ATOM 0 HD2 LYS A 32 -5.630 -1.084 20.146 1.00 24.21 H new ATOM 0 HD3 LYS A 32 -7.044 -2.089 20.393 1.00 24.21 H new ATOM 0 HE2 LYS A 32 -4.838 -1.594 22.447 1.00 40.40 H new ATOM 0 HE3 LYS A 32 -6.424 -0.849 22.456 1.00 40.40 H new ATOM 0 HZ1 LYS A 32 -6.318 -2.704 23.982 1.00 30.05 H new ATOM 0 HZ2 LYS A 32 -7.422 -3.041 22.737 1.00 30.05 H new ATOM 0 HZ3 LYS A 32 -5.885 -3.763 22.728 1.00 30.05 H new ATOM 513 N ALA A 33 -1.934 -2.781 18.342 1.00 11.33 N ATOM 514 CA ALA A 33 -0.562 -2.812 18.916 1.00 32.54 C ATOM 515 C ALA A 33 0.221 -1.513 18.604 1.00 51.33 C ATOM 516 O ALA A 33 0.876 -0.934 19.475 1.00 2.32 O ATOM 517 CB ALA A 33 0.196 -4.041 18.378 1.00 15.34 C ATOM 0 H ALA A 33 -2.101 -3.506 17.644 1.00 11.33 H new ATOM 0 HA ALA A 33 -0.649 -2.884 20.000 1.00 32.54 H new ATOM 0 HB1 ALA A 33 1.201 -4.062 18.800 1.00 15.34 H new ATOM 0 HB2 ALA A 33 -0.336 -4.949 18.662 1.00 15.34 H new ATOM 0 HB3 ALA A 33 0.260 -3.982 17.291 1.00 15.34 H new ATOM 523 N THR A 34 0.098 -1.062 17.351 1.00 70.54 N ATOM 524 CA THR A 34 0.794 0.135 16.819 1.00 3.44 C ATOM 525 C THR A 34 0.032 1.443 17.112 1.00 62.35 C ATOM 526 O THR A 34 0.545 2.536 16.843 1.00 71.54 O ATOM 527 CB THR A 34 0.983 -0.001 15.280 1.00 64.44 C ATOM 528 OG1 THR A 34 -0.301 -0.159 14.654 1.00 24.25 O ATOM 529 CG2 THR A 34 1.864 -1.196 14.920 1.00 21.42 C ATOM 0 H THR A 34 -0.496 -1.520 16.659 1.00 70.54 H new ATOM 0 HA THR A 34 1.759 0.188 17.323 1.00 3.44 H new ATOM 0 HB THR A 34 1.475 0.904 14.923 1.00 64.44 H new ATOM 0 HG1 THR A 34 -0.597 -1.089 14.744 1.00 24.25 H new ATOM 0 HG21 THR A 34 1.971 -1.256 13.837 1.00 21.42 H new ATOM 0 HG22 THR A 34 2.847 -1.074 15.376 1.00 21.42 H new ATOM 0 HG23 THR A 34 1.404 -2.112 15.290 1.00 21.42 H new ATOM 537 N LYS A 35 -1.216 1.309 17.622 1.00 3.25 N ATOM 538 CA LYS A 35 -2.068 2.444 18.078 1.00 1.14 C ATOM 539 C LYS A 35 -2.537 3.337 16.889 1.00 33.31 C ATOM 540 O LYS A 35 -2.896 4.510 17.085 1.00 45.20 O ATOM 541 CB LYS A 35 -1.338 3.301 19.158 1.00 63.53 C ATOM 542 CG LYS A 35 -0.798 2.510 20.381 1.00 31.13 C ATOM 543 CD LYS A 35 0.063 3.392 21.318 1.00 53.04 C ATOM 544 CE LYS A 35 1.287 3.986 20.597 1.00 73.50 C ATOM 545 NZ LYS A 35 2.037 4.935 21.446 1.00 1.02 N ATOM 0 H LYS A 35 -1.668 0.401 17.731 1.00 3.25 H new ATOM 0 HA LYS A 35 -2.959 2.009 18.532 1.00 1.14 H new ATOM 0 HB2 LYS A 35 -0.504 3.819 18.684 1.00 63.53 H new ATOM 0 HB3 LYS A 35 -2.026 4.067 19.517 1.00 63.53 H new ATOM 0 HG2 LYS A 35 -1.636 2.097 20.943 1.00 31.13 H new ATOM 0 HG3 LYS A 35 -0.203 1.667 20.031 1.00 31.13 H new ATOM 0 HD2 LYS A 35 -0.549 4.201 21.717 1.00 53.04 H new ATOM 0 HD3 LYS A 35 0.398 2.797 22.168 1.00 53.04 H new ATOM 0 HE2 LYS A 35 1.950 3.178 20.287 1.00 73.50 H new ATOM 0 HE3 LYS A 35 0.959 4.495 19.690 1.00 73.50 H new ATOM 0 HZ1 LYS A 35 2.851 5.307 20.916 1.00 1.02 H new ATOM 0 HZ2 LYS A 35 1.414 5.721 21.721 1.00 1.02 H new ATOM 0 HZ3 LYS A 35 2.374 4.446 22.299 1.00 1.02 H new ATOM 559 N LEU A 36 -2.569 2.753 15.670 1.00 5.51 N ATOM 560 CA LEU A 36 -3.029 3.455 14.451 1.00 54.34 C ATOM 561 C LEU A 36 -4.557 3.698 14.510 1.00 40.43 C ATOM 562 O LEU A 36 -5.299 2.940 15.146 1.00 75.02 O ATOM 563 CB LEU A 36 -2.648 2.657 13.180 1.00 0.01 C ATOM 564 CG LEU A 36 -1.131 2.335 12.993 1.00 33.15 C ATOM 565 CD1 LEU A 36 -0.894 1.465 11.739 1.00 75.15 C ATOM 566 CD2 LEU A 36 -0.259 3.616 12.978 1.00 35.15 C ATOM 0 H LEU A 36 -2.279 1.789 15.504 1.00 5.51 H new ATOM 0 HA LEU A 36 -2.529 4.423 14.403 1.00 54.34 H new ATOM 0 HB2 LEU A 36 -3.199 1.716 13.189 1.00 0.01 H new ATOM 0 HB3 LEU A 36 -2.989 3.218 12.309 1.00 0.01 H new ATOM 0 HG LEU A 36 -0.816 1.755 13.860 1.00 33.15 H new ATOM 0 HD11 LEU A 36 0.171 1.258 11.636 1.00 75.15 H new ATOM 0 HD12 LEU A 36 -1.438 0.526 11.839 1.00 75.15 H new ATOM 0 HD13 LEU A 36 -1.247 1.996 10.855 1.00 75.15 H new ATOM 0 HD21 LEU A 36 0.788 3.342 12.846 1.00 35.15 H new ATOM 0 HD22 LEU A 36 -0.572 4.260 12.156 1.00 35.15 H new ATOM 0 HD23 LEU A 36 -0.378 4.148 13.922 1.00 35.15 H new ATOM 578 N LYS A 37 -5.011 4.760 13.835 1.00 22.24 N ATOM 579 CA LYS A 37 -6.388 5.297 13.990 1.00 44.30 C ATOM 580 C LYS A 37 -7.334 4.754 12.891 1.00 10.44 C ATOM 581 O LYS A 37 -8.539 4.609 13.112 1.00 74.33 O ATOM 582 CB LYS A 37 -6.365 6.866 13.990 1.00 3.11 C ATOM 583 CG LYS A 37 -5.600 7.536 15.177 1.00 43.22 C ATOM 584 CD LYS A 37 -4.062 7.343 15.108 1.00 20.43 C ATOM 585 CE LYS A 37 -3.317 7.891 16.336 1.00 1.42 C ATOM 586 NZ LYS A 37 -3.388 9.373 16.427 1.00 34.40 N ATOM 0 H LYS A 37 -4.443 5.278 13.164 1.00 22.24 H new ATOM 0 HA LYS A 37 -6.777 4.958 14.950 1.00 44.30 H new ATOM 0 HB2 LYS A 37 -5.916 7.204 13.056 1.00 3.11 H new ATOM 0 HB3 LYS A 37 -7.394 7.225 13.997 1.00 3.11 H new ATOM 0 HG2 LYS A 37 -5.824 8.603 15.188 1.00 43.22 H new ATOM 0 HG3 LYS A 37 -5.969 7.123 16.116 1.00 43.22 H new ATOM 0 HD2 LYS A 37 -3.842 6.281 15.004 1.00 20.43 H new ATOM 0 HD3 LYS A 37 -3.682 7.836 14.213 1.00 20.43 H new ATOM 0 HE2 LYS A 37 -3.741 7.453 17.240 1.00 1.42 H new ATOM 0 HE3 LYS A 37 -2.273 7.582 16.292 1.00 1.42 H new ATOM 0 HZ1 LYS A 37 -2.871 9.694 17.271 1.00 34.40 H new ATOM 0 HZ2 LYS A 37 -2.960 9.794 15.578 1.00 34.40 H new ATOM 0 HZ3 LYS A 37 -4.382 9.669 16.496 1.00 34.40 H new ATOM 600 N ALA A 38 -6.767 4.456 11.709 1.00 32.35 N ATOM 601 CA ALA A 38 -7.515 3.935 10.543 1.00 62.23 C ATOM 602 C ALA A 38 -6.710 2.858 9.784 1.00 42.01 C ATOM 603 O ALA A 38 -5.500 2.683 9.998 1.00 23.32 O ATOM 604 CB ALA A 38 -7.893 5.097 9.600 1.00 4.21 C ATOM 0 H ALA A 38 -5.769 4.570 11.531 1.00 32.35 H new ATOM 0 HA ALA A 38 -8.425 3.461 10.909 1.00 62.23 H new ATOM 0 HB1 ALA A 38 -8.443 4.707 8.744 1.00 4.21 H new ATOM 0 HB2 ALA A 38 -8.516 5.813 10.136 1.00 4.21 H new ATOM 0 HB3 ALA A 38 -6.987 5.593 9.253 1.00 4.21 H new ATOM 610 N ASP A 39 -7.414 2.156 8.880 1.00 54.24 N ATOM 611 CA ASP A 39 -6.830 1.182 7.927 1.00 42.44 C ATOM 612 C ASP A 39 -5.822 1.866 6.962 1.00 1.31 C ATOM 613 O ASP A 39 -4.882 1.235 6.482 1.00 51.41 O ATOM 614 CB ASP A 39 -7.983 0.492 7.131 1.00 10.20 C ATOM 615 CG ASP A 39 -8.818 1.443 6.228 1.00 21.43 C ATOM 616 OD1 ASP A 39 -9.015 2.634 6.578 1.00 61.25 O ATOM 617 OD2 ASP A 39 -9.280 1.004 5.150 1.00 13.25 O ATOM 0 H ASP A 39 -8.425 2.248 8.785 1.00 54.24 H new ATOM 0 HA ASP A 39 -6.275 0.430 8.487 1.00 42.44 H new ATOM 0 HB2 ASP A 39 -7.555 -0.293 6.508 1.00 10.20 H new ATOM 0 HB3 ASP A 39 -8.654 0.006 7.840 1.00 10.20 H new ATOM 622 N LYS A 40 -6.066 3.166 6.696 1.00 75.11 N ATOM 623 CA LYS A 40 -5.196 4.032 5.865 1.00 3.11 C ATOM 624 C LYS A 40 -3.730 4.073 6.381 1.00 21.22 C ATOM 625 O LYS A 40 -2.793 3.963 5.589 1.00 30.41 O ATOM 626 CB LYS A 40 -5.788 5.467 5.827 1.00 73.31 C ATOM 627 CG LYS A 40 -7.230 5.591 5.252 1.00 74.13 C ATOM 628 CD LYS A 40 -7.328 5.452 3.698 1.00 25.42 C ATOM 629 CE LYS A 40 -7.539 4.005 3.206 1.00 1.13 C ATOM 630 NZ LYS A 40 -8.845 3.448 3.655 1.00 51.40 N ATOM 0 H LYS A 40 -6.886 3.654 7.057 1.00 75.11 H new ATOM 0 HA LYS A 40 -5.167 3.608 4.861 1.00 3.11 H new ATOM 0 HB2 LYS A 40 -5.786 5.867 6.841 1.00 73.31 H new ATOM 0 HB3 LYS A 40 -5.125 6.097 5.234 1.00 73.31 H new ATOM 0 HG2 LYS A 40 -7.857 4.827 5.712 1.00 74.13 H new ATOM 0 HG3 LYS A 40 -7.641 6.558 5.543 1.00 74.13 H new ATOM 0 HD2 LYS A 40 -8.152 6.070 3.340 1.00 25.42 H new ATOM 0 HD3 LYS A 40 -6.416 5.847 3.251 1.00 25.42 H new ATOM 0 HE2 LYS A 40 -7.490 3.981 2.117 1.00 1.13 H new ATOM 0 HE3 LYS A 40 -6.730 3.375 3.575 1.00 1.13 H new ATOM 0 HZ1 LYS A 40 -8.703 2.488 4.029 1.00 51.40 H new ATOM 0 HZ2 LYS A 40 -9.243 4.055 4.400 1.00 51.40 H new ATOM 0 HZ3 LYS A 40 -9.502 3.412 2.850 1.00 51.40 H new ATOM 644 N ASP A 41 -3.559 4.197 7.715 1.00 61.53 N ATOM 645 CA ASP A 41 -2.219 4.215 8.368 1.00 13.10 C ATOM 646 C ASP A 41 -1.497 2.860 8.173 1.00 4.14 C ATOM 647 O ASP A 41 -0.279 2.799 7.952 1.00 44.12 O ATOM 648 CB ASP A 41 -2.357 4.489 9.882 1.00 3.23 C ATOM 649 CG ASP A 41 -3.128 5.768 10.203 1.00 11.41 C ATOM 650 OD1 ASP A 41 -2.571 6.868 10.005 1.00 5.21 O ATOM 651 OD2 ASP A 41 -4.290 5.685 10.648 1.00 74.43 O ATOM 0 H ASP A 41 -4.335 4.287 8.371 1.00 61.53 H new ATOM 0 HA ASP A 41 -1.635 5.009 7.903 1.00 13.10 H new ATOM 0 HB2 ASP A 41 -2.860 3.644 10.352 1.00 3.23 H new ATOM 0 HB3 ASP A 41 -1.362 4.553 10.323 1.00 3.23 H new ATOM 656 N PHE A 42 -2.299 1.785 8.272 1.00 35.20 N ATOM 657 CA PHE A 42 -1.837 0.393 8.132 1.00 60.22 C ATOM 658 C PHE A 42 -1.283 0.104 6.711 1.00 74.24 C ATOM 659 O PHE A 42 -0.247 -0.537 6.580 1.00 70.35 O ATOM 660 CB PHE A 42 -3.002 -0.577 8.491 1.00 72.45 C ATOM 661 CG PHE A 42 -2.710 -2.056 8.237 1.00 42.31 C ATOM 662 CD1 PHE A 42 -1.669 -2.705 8.906 1.00 30.24 C ATOM 663 CD2 PHE A 42 -3.474 -2.799 7.330 1.00 54.55 C ATOM 664 CE1 PHE A 42 -1.409 -4.039 8.677 1.00 22.20 C ATOM 665 CE2 PHE A 42 -3.208 -4.135 7.106 1.00 23.03 C ATOM 666 CZ PHE A 42 -2.176 -4.754 7.781 1.00 60.44 C ATOM 0 H PHE A 42 -3.300 1.860 8.454 1.00 35.20 H new ATOM 0 HA PHE A 42 -1.010 0.233 8.824 1.00 60.22 H new ATOM 0 HB2 PHE A 42 -3.252 -0.447 9.544 1.00 72.45 H new ATOM 0 HB3 PHE A 42 -3.883 -0.292 7.916 1.00 72.45 H new ATOM 0 HD1 PHE A 42 -1.062 -2.155 9.610 1.00 30.24 H new ATOM 0 HD2 PHE A 42 -4.283 -2.321 6.798 1.00 54.55 H new ATOM 0 HE1 PHE A 42 -0.601 -4.527 9.202 1.00 22.20 H new ATOM 0 HE2 PHE A 42 -3.807 -4.695 6.403 1.00 23.03 H new ATOM 0 HZ PHE A 42 -1.969 -5.800 7.608 1.00 60.44 H new ATOM 676 N PHE A 43 -1.987 0.585 5.664 1.00 70.13 N ATOM 677 CA PHE A 43 -1.601 0.335 4.243 1.00 63.10 C ATOM 678 C PHE A 43 -0.237 0.977 3.874 1.00 0.14 C ATOM 679 O PHE A 43 0.565 0.368 3.156 1.00 63.25 O ATOM 680 CB PHE A 43 -2.702 0.851 3.278 1.00 12.33 C ATOM 681 CG PHE A 43 -4.086 0.233 3.478 1.00 40.12 C ATOM 682 CD1 PHE A 43 -4.246 -1.107 3.860 1.00 73.32 C ATOM 683 CD2 PHE A 43 -5.236 0.995 3.279 1.00 31.42 C ATOM 684 CE1 PHE A 43 -5.505 -1.648 4.036 1.00 54.54 C ATOM 685 CE2 PHE A 43 -6.488 0.450 3.453 1.00 13.22 C ATOM 686 CZ PHE A 43 -6.624 -0.871 3.831 1.00 22.34 C ATOM 0 H PHE A 43 -2.829 1.151 5.768 1.00 70.13 H new ATOM 0 HA PHE A 43 -1.496 -0.744 4.134 1.00 63.10 H new ATOM 0 HB2 PHE A 43 -2.785 1.932 3.392 1.00 12.33 H new ATOM 0 HB3 PHE A 43 -2.382 0.662 2.253 1.00 12.33 H new ATOM 0 HD1 PHE A 43 -3.374 -1.724 4.019 1.00 73.32 H new ATOM 0 HD2 PHE A 43 -5.143 2.030 2.984 1.00 31.42 H new ATOM 0 HE1 PHE A 43 -5.612 -2.680 4.334 1.00 54.54 H new ATOM 0 HE2 PHE A 43 -7.367 1.057 3.293 1.00 13.22 H new ATOM 0 HZ PHE A 43 -7.608 -1.295 3.966 1.00 22.34 H new ATOM 696 N LEU A 44 0.006 2.207 4.377 1.00 5.31 N ATOM 697 CA LEU A 44 1.280 2.948 4.160 1.00 44.41 C ATOM 698 C LEU A 44 2.496 2.189 4.764 1.00 0.32 C ATOM 699 O LEU A 44 3.533 2.033 4.103 1.00 31.44 O ATOM 700 CB LEU A 44 1.182 4.397 4.748 1.00 33.11 C ATOM 701 CG LEU A 44 0.569 5.498 3.810 1.00 42.22 C ATOM 702 CD1 LEU A 44 -0.865 5.154 3.343 1.00 4.43 C ATOM 703 CD2 LEU A 44 0.628 6.894 4.484 1.00 54.05 C ATOM 0 H LEU A 44 -0.670 2.718 4.944 1.00 5.31 H new ATOM 0 HA LEU A 44 1.441 3.020 3.084 1.00 44.41 H new ATOM 0 HB2 LEU A 44 0.585 4.355 5.659 1.00 33.11 H new ATOM 0 HB3 LEU A 44 2.183 4.715 5.037 1.00 33.11 H new ATOM 0 HG LEU A 44 1.184 5.527 2.910 1.00 42.22 H new ATOM 0 HD11 LEU A 44 -1.238 5.949 2.698 1.00 4.43 H new ATOM 0 HD12 LEU A 44 -0.852 4.215 2.790 1.00 4.43 H new ATOM 0 HD13 LEU A 44 -1.517 5.055 4.211 1.00 4.43 H new ATOM 0 HD21 LEU A 44 0.198 7.639 3.815 1.00 54.05 H new ATOM 0 HD22 LEU A 44 0.062 6.873 5.415 1.00 54.05 H new ATOM 0 HD23 LEU A 44 1.666 7.152 4.696 1.00 54.05 H new ATOM 715 N GLY A 45 2.339 1.714 6.015 1.00 22.23 N ATOM 716 CA GLY A 45 3.393 0.951 6.700 1.00 32.43 C ATOM 717 C GLY A 45 3.618 -0.445 6.105 1.00 42.13 C ATOM 718 O GLY A 45 4.752 -0.830 5.819 1.00 12.23 O ATOM 0 H GLY A 45 1.493 1.847 6.568 1.00 22.23 H new ATOM 0 HA2 GLY A 45 4.326 1.512 6.654 1.00 32.43 H new ATOM 0 HA3 GLY A 45 3.133 0.851 7.754 1.00 32.43 H new ATOM 722 N LEU A 46 2.511 -1.184 5.884 1.00 41.41 N ATOM 723 CA LEU A 46 2.532 -2.561 5.314 1.00 11.01 C ATOM 724 C LEU A 46 3.165 -2.597 3.898 1.00 70.41 C ATOM 725 O LEU A 46 3.887 -3.538 3.549 1.00 34.42 O ATOM 726 CB LEU A 46 1.088 -3.142 5.249 1.00 40.43 C ATOM 727 CG LEU A 46 0.946 -4.548 4.580 1.00 10.23 C ATOM 728 CD1 LEU A 46 1.811 -5.599 5.307 1.00 42.32 C ATOM 729 CD2 LEU A 46 -0.538 -4.982 4.475 1.00 33.32 C ATOM 0 H LEU A 46 1.571 -0.848 6.094 1.00 41.41 H new ATOM 0 HA LEU A 46 3.148 -3.171 5.975 1.00 11.01 H new ATOM 0 HB2 LEU A 46 0.696 -3.203 6.264 1.00 40.43 H new ATOM 0 HB3 LEU A 46 0.458 -2.438 4.706 1.00 40.43 H new ATOM 0 HG LEU A 46 1.322 -4.472 3.560 1.00 10.23 H new ATOM 0 HD11 LEU A 46 1.693 -6.567 4.820 1.00 42.32 H new ATOM 0 HD12 LEU A 46 2.858 -5.299 5.268 1.00 42.32 H new ATOM 0 HD13 LEU A 46 1.494 -5.675 6.347 1.00 42.32 H new ATOM 0 HD21 LEU A 46 -0.598 -5.964 4.005 1.00 33.32 H new ATOM 0 HD22 LEU A 46 -0.974 -5.030 5.473 1.00 33.32 H new ATOM 0 HD23 LEU A 46 -1.087 -4.258 3.873 1.00 33.32 H new ATOM 741 N GLY A 47 2.895 -1.543 3.117 1.00 44.53 N ATOM 742 CA GLY A 47 3.441 -1.397 1.754 1.00 64.43 C ATOM 743 C GLY A 47 4.971 -1.346 1.737 1.00 41.21 C ATOM 744 O GLY A 47 5.622 -1.792 0.782 1.00 33.31 O ATOM 0 H GLY A 47 2.296 -0.770 3.406 1.00 44.53 H new ATOM 0 HA2 GLY A 47 3.102 -2.231 1.139 1.00 64.43 H new ATOM 0 HA3 GLY A 47 3.045 -0.487 1.303 1.00 64.43 H new ATOM 748 N TRP A 48 5.535 -0.802 2.830 1.00 74.40 N ATOM 749 CA TRP A 48 6.986 -0.711 3.031 1.00 45.51 C ATOM 750 C TRP A 48 7.591 -2.081 3.472 1.00 42.42 C ATOM 751 O TRP A 48 8.723 -2.425 3.113 1.00 50.10 O ATOM 752 CB TRP A 48 7.312 0.392 4.065 1.00 4.34 C ATOM 753 CG TRP A 48 8.683 0.963 3.864 1.00 45.23 C ATOM 754 CD1 TRP A 48 9.873 0.490 4.337 1.00 22.43 C ATOM 755 CD2 TRP A 48 8.989 2.097 3.063 1.00 65.02 C ATOM 756 NE1 TRP A 48 10.897 1.267 3.868 1.00 64.23 N ATOM 757 CE2 TRP A 48 10.378 2.260 3.085 1.00 12.10 C ATOM 758 CE3 TRP A 48 8.206 2.986 2.327 1.00 44.52 C ATOM 759 CZ2 TRP A 48 11.008 3.274 2.393 1.00 14.34 C ATOM 760 CZ3 TRP A 48 8.829 3.998 1.644 1.00 34.04 C ATOM 761 CH2 TRP A 48 10.220 4.135 1.675 1.00 23.20 C ATOM 0 H TRP A 48 4.992 -0.412 3.600 1.00 74.40 H new ATOM 0 HA TRP A 48 7.443 -0.446 2.078 1.00 45.51 H new ATOM 0 HB2 TRP A 48 6.573 1.189 3.990 1.00 4.34 H new ATOM 0 HB3 TRP A 48 7.235 -0.020 5.071 1.00 4.34 H new ATOM 0 HD1 TRP A 48 9.989 -0.367 4.983 1.00 22.43 H new ATOM 0 HE1 TRP A 48 11.887 1.128 4.070 1.00 64.23 H new ATOM 0 HE3 TRP A 48 7.132 2.879 2.296 1.00 44.52 H new ATOM 0 HZ2 TRP A 48 12.082 3.385 2.416 1.00 14.34 H new ATOM 0 HZ3 TRP A 48 8.237 4.699 1.074 1.00 34.04 H new ATOM 0 HH2 TRP A 48 10.684 4.937 1.121 1.00 23.20 H new ATOM 772 N LEU A 49 6.826 -2.837 4.273 1.00 63.40 N ATOM 773 CA LEU A 49 7.184 -4.228 4.667 1.00 35.44 C ATOM 774 C LEU A 49 7.266 -5.156 3.424 1.00 12.33 C ATOM 775 O LEU A 49 8.113 -6.054 3.354 1.00 23.44 O ATOM 776 CB LEU A 49 6.141 -4.775 5.689 1.00 21.43 C ATOM 777 CG LEU A 49 6.320 -4.371 7.192 1.00 11.22 C ATOM 778 CD1 LEU A 49 6.570 -2.880 7.370 1.00 25.33 C ATOM 779 CD2 LEU A 49 5.096 -4.809 8.021 1.00 53.12 C ATOM 0 H LEU A 49 5.944 -2.513 4.670 1.00 63.40 H new ATOM 0 HA LEU A 49 8.167 -4.212 5.137 1.00 35.44 H new ATOM 0 HB2 LEU A 49 5.152 -4.447 5.368 1.00 21.43 H new ATOM 0 HB3 LEU A 49 6.151 -5.863 5.630 1.00 21.43 H new ATOM 0 HG LEU A 49 7.206 -4.892 7.555 1.00 11.22 H new ATOM 0 HD11 LEU A 49 6.687 -2.655 8.430 1.00 25.33 H new ATOM 0 HD12 LEU A 49 7.478 -2.597 6.837 1.00 25.33 H new ATOM 0 HD13 LEU A 49 5.725 -2.319 6.971 1.00 25.33 H new ATOM 0 HD21 LEU A 49 5.239 -4.520 9.062 1.00 53.12 H new ATOM 0 HD22 LEU A 49 4.200 -4.326 7.630 1.00 53.12 H new ATOM 0 HD23 LEU A 49 4.982 -5.891 7.958 1.00 53.12 H new ATOM 791 N LEU A 50 6.352 -4.916 2.462 1.00 43.13 N ATOM 792 CA LEU A 50 6.316 -5.624 1.167 1.00 1.03 C ATOM 793 C LEU A 50 7.566 -5.330 0.302 1.00 60.32 C ATOM 794 O LEU A 50 8.208 -6.265 -0.187 1.00 51.53 O ATOM 795 CB LEU A 50 5.012 -5.265 0.393 1.00 42.25 C ATOM 796 CG LEU A 50 3.689 -5.837 0.999 1.00 40.53 C ATOM 797 CD1 LEU A 50 2.443 -5.309 0.249 1.00 71.34 C ATOM 798 CD2 LEU A 50 3.728 -7.387 1.025 1.00 35.45 C ATOM 0 H LEU A 50 5.613 -4.220 2.563 1.00 43.13 H new ATOM 0 HA LEU A 50 6.322 -6.693 1.379 1.00 1.03 H new ATOM 0 HB2 LEU A 50 4.928 -4.179 0.342 1.00 42.25 H new ATOM 0 HB3 LEU A 50 5.107 -5.626 -0.631 1.00 42.25 H new ATOM 0 HG LEU A 50 3.610 -5.485 2.028 1.00 40.53 H new ATOM 0 HD11 LEU A 50 1.543 -5.728 0.699 1.00 71.34 H new ATOM 0 HD12 LEU A 50 2.410 -4.222 0.318 1.00 71.34 H new ATOM 0 HD13 LEU A 50 2.497 -5.605 -0.799 1.00 71.34 H new ATOM 0 HD21 LEU A 50 2.799 -7.767 1.450 1.00 35.45 H new ATOM 0 HD22 LEU A 50 3.844 -7.765 0.009 1.00 35.45 H new ATOM 0 HD23 LEU A 50 4.568 -7.720 1.634 1.00 35.45 H new ATOM 810 N ARG A 51 7.921 -4.036 0.140 1.00 14.20 N ATOM 811 CA ARG A 51 9.031 -3.630 -0.766 1.00 45.43 C ATOM 812 C ARG A 51 10.410 -4.167 -0.319 1.00 51.54 C ATOM 813 O ARG A 51 11.240 -4.515 -1.161 1.00 21.22 O ATOM 814 CB ARG A 51 9.098 -2.093 -0.950 1.00 41.02 C ATOM 815 CG ARG A 51 9.360 -1.249 0.318 1.00 41.12 C ATOM 816 CD ARG A 51 9.724 0.211 0.013 1.00 54.25 C ATOM 817 NE ARG A 51 11.063 0.305 -0.588 1.00 24.00 N ATOM 818 CZ ARG A 51 11.618 1.387 -1.067 1.00 33.22 C ATOM 819 NH1 ARG A 51 11.000 2.527 -1.072 1.00 44.04 N ATOM 820 NH2 ARG A 51 12.811 1.321 -1.541 1.00 33.30 N ATOM 0 H ARG A 51 7.464 -3.259 0.617 1.00 14.20 H new ATOM 0 HA ARG A 51 8.797 -4.089 -1.727 1.00 45.43 H new ATOM 0 HB2 ARG A 51 9.883 -1.872 -1.673 1.00 41.02 H new ATOM 0 HB3 ARG A 51 8.157 -1.762 -1.389 1.00 41.02 H new ATOM 0 HG2 ARG A 51 8.472 -1.270 0.950 1.00 41.12 H new ATOM 0 HG3 ARG A 51 10.168 -1.706 0.889 1.00 41.12 H new ATOM 0 HD2 ARG A 51 8.986 0.640 -0.665 1.00 54.25 H new ATOM 0 HD3 ARG A 51 9.692 0.797 0.931 1.00 54.25 H new ATOM 0 HE ARG A 51 11.610 -0.555 -0.635 1.00 24.00 H new ATOM 0 HH11 ARG A 51 10.055 2.596 -0.695 1.00 44.04 H new ATOM 0 HH12 ARG A 51 11.459 3.354 -1.453 1.00 44.04 H new ATOM 0 HH21 ARG A 51 13.312 0.432 -1.540 1.00 33.30 H new ATOM 0 HH22 ARG A 51 13.257 2.157 -1.918 1.00 33.30 H new ATOM 834 N GLU A 52 10.637 -4.256 0.999 1.00 31.30 N ATOM 835 CA GLU A 52 11.924 -4.745 1.550 1.00 2.13 C ATOM 836 C GLU A 52 11.892 -6.259 1.848 1.00 72.25 C ATOM 837 O GLU A 52 12.844 -6.784 2.441 1.00 50.40 O ATOM 838 CB GLU A 52 12.338 -3.908 2.808 1.00 51.03 C ATOM 839 CG GLU A 52 13.357 -2.778 2.533 1.00 73.23 C ATOM 840 CD GLU A 52 12.852 -1.684 1.571 1.00 52.20 C ATOM 841 OE1 GLU A 52 12.982 -1.843 0.328 1.00 60.13 O ATOM 842 OE2 GLU A 52 12.346 -0.651 2.053 1.00 1.13 O ATOM 0 H GLU A 52 9.951 -3.998 1.709 1.00 31.30 H new ATOM 0 HA GLU A 52 12.688 -4.602 0.786 1.00 2.13 H new ATOM 0 HB2 GLU A 52 11.441 -3.470 3.246 1.00 51.03 H new ATOM 0 HB3 GLU A 52 12.759 -4.583 3.553 1.00 51.03 H new ATOM 0 HG2 GLU A 52 13.630 -2.313 3.480 1.00 73.23 H new ATOM 0 HG3 GLU A 52 14.265 -3.217 2.120 1.00 73.23 H new ATOM 849 N ASP A 53 10.791 -6.945 1.448 1.00 11.41 N ATOM 850 CA ASP A 53 10.668 -8.426 1.514 1.00 2.03 C ATOM 851 C ASP A 53 10.724 -8.943 2.983 1.00 31.31 C ATOM 852 O ASP A 53 11.148 -10.073 3.238 1.00 42.22 O ATOM 853 CB ASP A 53 11.753 -9.113 0.621 1.00 13.11 C ATOM 854 CG ASP A 53 11.656 -8.727 -0.871 1.00 70.31 C ATOM 855 OD1 ASP A 53 12.134 -7.640 -1.256 1.00 11.54 O ATOM 856 OD2 ASP A 53 11.085 -9.504 -1.668 1.00 21.35 O ATOM 0 H ASP A 53 9.962 -6.487 1.070 1.00 11.41 H new ATOM 0 HA ASP A 53 9.689 -8.697 1.119 1.00 2.03 H new ATOM 0 HB2 ASP A 53 12.742 -8.846 0.994 1.00 13.11 H new ATOM 0 HB3 ASP A 53 11.658 -10.195 0.715 1.00 13.11 H new ATOM 861 N LYS A 54 10.230 -8.111 3.929 1.00 52.42 N ATOM 862 CA LYS A 54 10.319 -8.369 5.392 1.00 33.42 C ATOM 863 C LYS A 54 9.117 -9.189 5.906 1.00 11.34 C ATOM 864 O LYS A 54 9.148 -9.705 7.034 1.00 1.14 O ATOM 865 CB LYS A 54 10.380 -7.022 6.162 1.00 60.11 C ATOM 866 CG LYS A 54 11.503 -6.072 5.704 1.00 42.43 C ATOM 867 CD LYS A 54 11.563 -4.754 6.515 1.00 43.41 C ATOM 868 CE LYS A 54 11.926 -4.980 7.994 1.00 65.53 C ATOM 869 NZ LYS A 54 13.226 -5.689 8.158 1.00 1.33 N ATOM 0 H LYS A 54 9.756 -7.237 3.702 1.00 52.42 H new ATOM 0 HA LYS A 54 11.226 -8.947 5.567 1.00 33.42 H new ATOM 0 HB2 LYS A 54 9.423 -6.512 6.052 1.00 60.11 H new ATOM 0 HB3 LYS A 54 10.509 -7.231 7.224 1.00 60.11 H new ATOM 0 HG2 LYS A 54 12.461 -6.586 5.789 1.00 42.43 H new ATOM 0 HG3 LYS A 54 11.361 -5.835 4.650 1.00 42.43 H new ATOM 0 HD2 LYS A 54 12.298 -4.088 6.063 1.00 43.41 H new ATOM 0 HD3 LYS A 54 10.598 -4.252 6.455 1.00 43.41 H new ATOM 0 HE2 LYS A 54 11.973 -4.018 8.505 1.00 65.53 H new ATOM 0 HE3 LYS A 54 11.137 -5.558 8.475 1.00 65.53 H new ATOM 0 HZ1 LYS A 54 13.517 -5.654 9.156 1.00 1.33 H new ATOM 0 HZ2 LYS A 54 13.120 -6.681 7.863 1.00 1.33 H new ATOM 0 HZ3 LYS A 54 13.949 -5.228 7.570 1.00 1.33 H new ATOM 883 N VAL A 55 8.051 -9.282 5.088 1.00 75.34 N ATOM 884 CA VAL A 55 6.816 -10.022 5.450 1.00 24.02 C ATOM 885 C VAL A 55 6.332 -10.960 4.325 1.00 44.45 C ATOM 886 O VAL A 55 6.907 -11.006 3.234 1.00 54.11 O ATOM 887 CB VAL A 55 5.645 -9.034 5.824 1.00 40.32 C ATOM 888 CG1 VAL A 55 5.982 -8.216 7.092 1.00 50.33 C ATOM 889 CG2 VAL A 55 5.260 -8.125 4.623 1.00 35.41 C ATOM 0 H VAL A 55 8.016 -8.852 4.164 1.00 75.34 H new ATOM 0 HA VAL A 55 7.080 -10.630 6.315 1.00 24.02 H new ATOM 0 HB VAL A 55 4.766 -9.635 6.058 1.00 40.32 H new ATOM 0 HG11 VAL A 55 5.155 -7.545 7.323 1.00 50.33 H new ATOM 0 HG12 VAL A 55 6.144 -8.894 7.930 1.00 50.33 H new ATOM 0 HG13 VAL A 55 6.886 -7.632 6.919 1.00 50.33 H new ATOM 0 HG21 VAL A 55 4.450 -7.457 4.917 1.00 35.41 H new ATOM 0 HG22 VAL A 55 6.125 -7.535 4.321 1.00 35.41 H new ATOM 0 HG23 VAL A 55 4.934 -8.745 3.788 1.00 35.41 H new ATOM 899 N VAL A 56 5.284 -11.742 4.637 1.00 21.13 N ATOM 900 CA VAL A 56 4.417 -12.394 3.635 1.00 63.51 C ATOM 901 C VAL A 56 2.936 -12.129 3.998 1.00 24.13 C ATOM 902 O VAL A 56 2.515 -12.345 5.132 1.00 2.13 O ATOM 903 CB VAL A 56 4.715 -13.943 3.484 1.00 35.33 C ATOM 904 CG1 VAL A 56 4.616 -14.698 4.838 1.00 64.52 C ATOM 905 CG2 VAL A 56 3.807 -14.586 2.396 1.00 41.44 C ATOM 0 H VAL A 56 5.011 -11.942 5.599 1.00 21.13 H new ATOM 0 HA VAL A 56 4.634 -11.959 2.659 1.00 63.51 H new ATOM 0 HB VAL A 56 5.749 -14.040 3.153 1.00 35.33 H new ATOM 0 HG11 VAL A 56 4.829 -15.756 4.681 1.00 64.52 H new ATOM 0 HG12 VAL A 56 5.339 -14.283 5.540 1.00 64.52 H new ATOM 0 HG13 VAL A 56 3.611 -14.586 5.244 1.00 64.52 H new ATOM 0 HG21 VAL A 56 4.034 -15.649 2.315 1.00 41.44 H new ATOM 0 HG22 VAL A 56 2.761 -14.458 2.673 1.00 41.44 H new ATOM 0 HG23 VAL A 56 3.990 -14.102 1.437 1.00 41.44 H new ATOM 915 N THR A 57 2.151 -11.646 3.022 1.00 73.14 N ATOM 916 CA THR A 57 0.754 -11.226 3.249 1.00 65.52 C ATOM 917 C THR A 57 -0.242 -12.283 2.745 1.00 25.35 C ATOM 918 O THR A 57 0.009 -12.995 1.765 1.00 32.53 O ATOM 919 CB THR A 57 0.444 -9.853 2.560 1.00 30.05 C ATOM 920 OG1 THR A 57 0.868 -9.879 1.184 1.00 15.54 O ATOM 921 CG2 THR A 57 1.123 -8.684 3.293 1.00 11.30 C ATOM 0 H THR A 57 2.462 -11.535 2.057 1.00 73.14 H new ATOM 0 HA THR A 57 0.636 -11.114 4.327 1.00 65.52 H new ATOM 0 HB THR A 57 -0.634 -9.698 2.605 1.00 30.05 H new ATOM 0 HG1 THR A 57 0.668 -9.017 0.764 1.00 15.54 H new ATOM 0 HG21 THR A 57 0.885 -7.749 2.786 1.00 11.30 H new ATOM 0 HG22 THR A 57 0.763 -8.641 4.321 1.00 11.30 H new ATOM 0 HG23 THR A 57 2.203 -8.832 3.292 1.00 11.30 H new ATOM 929 N SER A 58 -1.377 -12.352 3.443 1.00 12.25 N ATOM 930 CA SER A 58 -2.484 -13.281 3.152 1.00 74.52 C ATOM 931 C SER A 58 -3.816 -12.600 3.513 1.00 73.33 C ATOM 932 O SER A 58 -3.826 -11.507 4.094 1.00 72.31 O ATOM 933 CB SER A 58 -2.305 -14.606 3.945 1.00 53.02 C ATOM 934 OG SER A 58 -3.274 -15.578 3.572 1.00 64.11 O ATOM 0 H SER A 58 -1.562 -11.752 4.247 1.00 12.25 H new ATOM 0 HA SER A 58 -2.485 -13.529 2.091 1.00 74.52 H new ATOM 0 HB2 SER A 58 -1.305 -15.003 3.769 1.00 53.02 H new ATOM 0 HB3 SER A 58 -2.385 -14.404 5.013 1.00 53.02 H new ATOM 0 HG SER A 58 -3.130 -16.398 4.089 1.00 64.11 H new ATOM 940 N GLU A 59 -4.938 -13.228 3.149 1.00 41.52 N ATOM 941 CA GLU A 59 -6.287 -12.705 3.453 1.00 33.40 C ATOM 942 C GLU A 59 -7.119 -13.785 4.179 1.00 0.44 C ATOM 943 O GLU A 59 -7.302 -14.894 3.665 1.00 51.42 O ATOM 944 CB GLU A 59 -6.963 -12.203 2.136 1.00 54.15 C ATOM 945 CG GLU A 59 -8.357 -11.521 2.297 1.00 65.22 C ATOM 946 CD GLU A 59 -9.551 -12.468 2.049 1.00 22.32 C ATOM 947 OE1 GLU A 59 -9.972 -12.607 0.883 1.00 55.55 O ATOM 948 OE2 GLU A 59 -10.061 -13.088 3.004 1.00 45.14 O ATOM 0 H GLU A 59 -4.945 -14.110 2.637 1.00 41.52 H new ATOM 0 HA GLU A 59 -6.219 -11.851 4.127 1.00 33.40 H new ATOM 0 HB2 GLU A 59 -6.289 -11.496 1.652 1.00 54.15 H new ATOM 0 HB3 GLU A 59 -7.072 -13.052 1.461 1.00 54.15 H new ATOM 0 HG2 GLU A 59 -8.435 -11.110 3.304 1.00 65.22 H new ATOM 0 HG3 GLU A 59 -8.422 -10.682 1.604 1.00 65.22 H new ATOM 955 N VAL A 60 -7.597 -13.445 5.391 1.00 52.23 N ATOM 956 CA VAL A 60 -8.433 -14.326 6.242 1.00 34.22 C ATOM 957 C VAL A 60 -9.855 -13.729 6.423 1.00 4.20 C ATOM 958 O VAL A 60 -10.034 -12.690 7.073 1.00 2.34 O ATOM 959 CB VAL A 60 -7.752 -14.576 7.650 1.00 44.31 C ATOM 960 CG1 VAL A 60 -8.710 -15.256 8.674 1.00 10.52 C ATOM 961 CG2 VAL A 60 -6.459 -15.412 7.485 1.00 54.44 C ATOM 0 H VAL A 60 -7.413 -12.537 5.817 1.00 52.23 H new ATOM 0 HA VAL A 60 -8.524 -15.287 5.736 1.00 34.22 H new ATOM 0 HB VAL A 60 -7.501 -13.596 8.055 1.00 44.31 H new ATOM 0 HG11 VAL A 60 -8.188 -15.402 9.620 1.00 10.52 H new ATOM 0 HG12 VAL A 60 -9.581 -14.621 8.835 1.00 10.52 H new ATOM 0 HG13 VAL A 60 -9.032 -16.222 8.285 1.00 10.52 H new ATOM 0 HG21 VAL A 60 -6.004 -15.575 8.462 1.00 54.44 H new ATOM 0 HG22 VAL A 60 -6.703 -16.374 7.034 1.00 54.44 H new ATOM 0 HG23 VAL A 60 -5.759 -14.877 6.843 1.00 54.44 H new ATOM 971 N GLU A 61 -10.842 -14.421 5.817 1.00 1.14 N ATOM 972 CA GLU A 61 -12.299 -14.195 6.004 1.00 60.54 C ATOM 973 C GLU A 61 -12.762 -12.714 5.830 1.00 42.34 C ATOM 974 O GLU A 61 -13.608 -12.221 6.587 1.00 32.35 O ATOM 975 CB GLU A 61 -12.726 -14.772 7.383 1.00 44.14 C ATOM 976 CG GLU A 61 -12.285 -16.232 7.616 1.00 3.22 C ATOM 977 CD GLU A 61 -12.778 -16.801 8.954 1.00 21.51 C ATOM 978 OE1 GLU A 61 -12.064 -16.661 9.973 1.00 3.21 O ATOM 979 OE2 GLU A 61 -13.874 -17.397 8.993 1.00 14.32 O ATOM 0 H GLU A 61 -10.645 -15.178 5.162 1.00 1.14 H new ATOM 0 HA GLU A 61 -12.807 -14.723 5.197 1.00 60.54 H new ATOM 0 HB2 GLU A 61 -12.308 -14.147 8.172 1.00 44.14 H new ATOM 0 HB3 GLU A 61 -13.811 -14.713 7.470 1.00 44.14 H new ATOM 0 HG2 GLU A 61 -12.660 -16.853 6.803 1.00 3.22 H new ATOM 0 HG3 GLU A 61 -11.197 -16.287 7.583 1.00 3.22 H new ATOM 986 N GLY A 62 -12.238 -12.050 4.790 1.00 45.13 N ATOM 987 CA GLY A 62 -12.620 -10.665 4.437 1.00 0.41 C ATOM 988 C GLY A 62 -11.656 -9.578 4.939 1.00 0.03 C ATOM 989 O GLY A 62 -11.798 -8.406 4.564 1.00 71.20 O ATOM 0 H GLY A 62 -11.538 -12.453 4.167 1.00 45.13 H new ATOM 0 HA2 GLY A 62 -12.695 -10.590 3.352 1.00 0.41 H new ATOM 0 HA3 GLY A 62 -13.613 -10.464 4.840 1.00 0.41 H new ATOM 993 N GLU A 63 -10.664 -9.955 5.769 1.00 11.34 N ATOM 994 CA GLU A 63 -9.661 -9.005 6.331 1.00 71.44 C ATOM 995 C GLU A 63 -8.216 -9.486 6.071 1.00 61.10 C ATOM 996 O GLU A 63 -7.984 -10.652 5.762 1.00 70.32 O ATOM 997 CB GLU A 63 -9.892 -8.771 7.849 1.00 13.45 C ATOM 998 CG GLU A 63 -11.227 -8.070 8.192 1.00 43.50 C ATOM 999 CD GLU A 63 -11.290 -7.569 9.644 1.00 62.33 C ATOM 1000 OE1 GLU A 63 -10.768 -6.463 9.923 1.00 23.10 O ATOM 1001 OE2 GLU A 63 -11.825 -8.283 10.524 1.00 20.22 O ATOM 0 H GLU A 63 -10.528 -10.919 6.073 1.00 11.34 H new ATOM 0 HA GLU A 63 -9.797 -8.054 5.816 1.00 71.44 H new ATOM 0 HB2 GLU A 63 -9.858 -9.732 8.362 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -9.070 -8.172 8.241 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -11.372 -7.227 7.517 1.00 43.50 H new ATOM 0 HG3 GLU A 63 -12.050 -8.763 8.017 1.00 43.50 H new ATOM 1008 N ILE A 64 -7.255 -8.561 6.205 1.00 23.41 N ATOM 1009 CA ILE A 64 -5.827 -8.818 5.915 1.00 40.21 C ATOM 1010 C ILE A 64 -5.118 -9.493 7.121 1.00 21.32 C ATOM 1011 O ILE A 64 -5.246 -9.040 8.262 1.00 71.40 O ATOM 1012 CB ILE A 64 -5.089 -7.474 5.538 1.00 52.13 C ATOM 1013 CG1 ILE A 64 -5.830 -6.755 4.361 1.00 62.13 C ATOM 1014 CG2 ILE A 64 -3.595 -7.717 5.191 1.00 61.14 C ATOM 1015 CD1 ILE A 64 -5.255 -5.400 3.966 1.00 63.34 C ATOM 0 H ILE A 64 -7.441 -7.608 6.518 1.00 23.41 H new ATOM 0 HA ILE A 64 -5.779 -9.501 5.067 1.00 40.21 H new ATOM 0 HB ILE A 64 -5.114 -6.823 6.412 1.00 52.13 H new ATOM 0 HG12 ILE A 64 -5.812 -7.408 3.488 1.00 62.13 H new ATOM 0 HG13 ILE A 64 -6.876 -6.622 4.638 1.00 62.13 H new ATOM 0 HG21 ILE A 64 -3.122 -6.769 4.937 1.00 61.14 H new ATOM 0 HG22 ILE A 64 -3.089 -8.157 6.050 1.00 61.14 H new ATOM 0 HG23 ILE A 64 -3.525 -8.397 4.342 1.00 61.14 H new ATOM 0 HD11 ILE A 64 -5.837 -4.984 3.143 1.00 63.34 H new ATOM 0 HD12 ILE A 64 -5.298 -4.724 4.820 1.00 63.34 H new ATOM 0 HD13 ILE A 64 -4.218 -5.522 3.652 1.00 63.34 H new ATOM 1027 N PHE A 65 -4.379 -10.581 6.839 1.00 1.44 N ATOM 1028 CA PHE A 65 -3.530 -11.294 7.818 1.00 34.50 C ATOM 1029 C PHE A 65 -2.064 -11.256 7.320 1.00 31.43 C ATOM 1030 O PHE A 65 -1.727 -11.888 6.313 1.00 5.53 O ATOM 1031 CB PHE A 65 -4.014 -12.765 7.976 1.00 31.14 C ATOM 1032 CG PHE A 65 -3.368 -13.553 9.130 1.00 73.52 C ATOM 1033 CD1 PHE A 65 -2.091 -14.107 9.015 1.00 72.02 C ATOM 1034 CD2 PHE A 65 -4.046 -13.741 10.335 1.00 30.54 C ATOM 1035 CE1 PHE A 65 -1.520 -14.812 10.059 1.00 73.34 C ATOM 1036 CE2 PHE A 65 -3.475 -14.448 11.376 1.00 3.01 C ATOM 1037 CZ PHE A 65 -2.212 -14.981 11.239 1.00 63.43 C ATOM 0 H PHE A 65 -4.353 -10.999 5.909 1.00 1.44 H new ATOM 0 HA PHE A 65 -3.598 -10.810 8.792 1.00 34.50 H new ATOM 0 HB2 PHE A 65 -5.094 -12.760 8.122 1.00 31.14 H new ATOM 0 HB3 PHE A 65 -3.821 -13.295 7.044 1.00 31.14 H new ATOM 0 HD1 PHE A 65 -1.540 -13.983 8.095 1.00 72.02 H new ATOM 0 HD2 PHE A 65 -5.036 -13.326 10.456 1.00 30.54 H new ATOM 0 HE1 PHE A 65 -0.531 -15.231 9.949 1.00 73.34 H new ATOM 0 HE2 PHE A 65 -4.020 -14.583 12.299 1.00 3.01 H new ATOM 0 HZ PHE A 65 -1.765 -15.530 12.055 1.00 63.43 H new ATOM 1047 N VAL A 66 -1.202 -10.515 8.024 1.00 50.51 N ATOM 1048 CA VAL A 66 0.222 -10.361 7.652 1.00 53.52 C ATOM 1049 C VAL A 66 1.121 -11.221 8.568 1.00 11.11 C ATOM 1050 O VAL A 66 0.910 -11.267 9.776 1.00 13.44 O ATOM 1051 CB VAL A 66 0.671 -8.858 7.744 1.00 34.10 C ATOM 1052 CG1 VAL A 66 2.104 -8.662 7.184 1.00 30.13 C ATOM 1053 CG2 VAL A 66 -0.348 -7.932 7.036 1.00 72.42 C ATOM 0 H VAL A 66 -1.464 -10.003 8.867 1.00 50.51 H new ATOM 0 HA VAL A 66 0.330 -10.699 6.621 1.00 53.52 H new ATOM 0 HB VAL A 66 0.695 -8.579 8.797 1.00 34.10 H new ATOM 0 HG11 VAL A 66 2.385 -7.612 7.262 1.00 30.13 H new ATOM 0 HG12 VAL A 66 2.805 -9.268 7.758 1.00 30.13 H new ATOM 0 HG13 VAL A 66 2.131 -8.968 6.138 1.00 30.13 H new ATOM 0 HG21 VAL A 66 -0.014 -6.897 7.114 1.00 72.42 H new ATOM 0 HG22 VAL A 66 -0.424 -8.211 5.985 1.00 72.42 H new ATOM 0 HG23 VAL A 66 -1.324 -8.035 7.510 1.00 72.42 H new ATOM 1063 N LYS A 67 2.126 -11.883 7.974 1.00 31.34 N ATOM 1064 CA LYS A 67 3.108 -12.728 8.696 1.00 71.12 C ATOM 1065 C LYS A 67 4.528 -12.190 8.437 1.00 71.23 C ATOM 1066 O LYS A 67 4.710 -11.356 7.565 1.00 3.41 O ATOM 1067 CB LYS A 67 3.015 -14.196 8.184 1.00 71.54 C ATOM 1068 CG LYS A 67 1.589 -14.770 8.103 1.00 34.15 C ATOM 1069 CD LYS A 67 1.552 -16.182 7.478 1.00 10.42 C ATOM 1070 CE LYS A 67 0.117 -16.693 7.274 1.00 24.32 C ATOM 1071 NZ LYS A 67 0.092 -18.061 6.706 1.00 1.12 N ATOM 0 H LYS A 67 2.287 -11.850 6.967 1.00 31.34 H new ATOM 0 HA LYS A 67 2.891 -12.702 9.764 1.00 71.12 H new ATOM 0 HB2 LYS A 67 3.468 -14.248 7.194 1.00 71.54 H new ATOM 0 HB3 LYS A 67 3.609 -14.832 8.840 1.00 71.54 H new ATOM 0 HG2 LYS A 67 1.159 -14.808 9.104 1.00 34.15 H new ATOM 0 HG3 LYS A 67 0.964 -14.099 7.513 1.00 34.15 H new ATOM 0 HD2 LYS A 67 2.069 -16.166 6.519 1.00 10.42 H new ATOM 0 HD3 LYS A 67 2.094 -16.876 8.121 1.00 10.42 H new ATOM 0 HE2 LYS A 67 -0.409 -16.687 8.228 1.00 24.32 H new ATOM 0 HE3 LYS A 67 -0.419 -16.015 6.610 1.00 24.32 H new ATOM 0 HZ1 LYS A 67 -0.894 -18.368 6.584 1.00 1.12 H new ATOM 0 HZ2 LYS A 67 0.572 -18.063 5.783 1.00 1.12 H new ATOM 0 HZ3 LYS A 67 0.581 -18.714 7.351 1.00 1.12 H new ATOM 1085 N LEU A 68 5.533 -12.673 9.180 1.00 54.10 N ATOM 1086 CA LEU A 68 6.959 -12.430 8.834 1.00 14.45 C ATOM 1087 C LEU A 68 7.482 -13.542 7.880 1.00 15.43 C ATOM 1088 O LEU A 68 6.738 -14.456 7.513 1.00 41.23 O ATOM 1089 CB LEU A 68 7.825 -12.332 10.123 1.00 20.21 C ATOM 1090 CG LEU A 68 7.520 -11.121 11.072 1.00 50.21 C ATOM 1091 CD1 LEU A 68 8.548 -11.031 12.220 1.00 55.35 C ATOM 1092 CD2 LEU A 68 7.451 -9.787 10.292 1.00 11.54 C ATOM 0 H LEU A 68 5.397 -13.232 10.022 1.00 54.10 H new ATOM 0 HA LEU A 68 7.036 -11.477 8.311 1.00 14.45 H new ATOM 0 HB2 LEU A 68 7.698 -13.253 10.692 1.00 20.21 H new ATOM 0 HB3 LEU A 68 8.873 -12.281 9.828 1.00 20.21 H new ATOM 0 HG LEU A 68 6.539 -11.300 11.512 1.00 50.21 H new ATOM 0 HD11 LEU A 68 8.307 -10.181 12.858 1.00 55.35 H new ATOM 0 HD12 LEU A 68 8.517 -11.948 12.809 1.00 55.35 H new ATOM 0 HD13 LEU A 68 9.547 -10.901 11.804 1.00 55.35 H new ATOM 0 HD21 LEU A 68 7.238 -8.972 10.983 1.00 11.54 H new ATOM 0 HD22 LEU A 68 8.406 -9.604 9.799 1.00 11.54 H new ATOM 0 HD23 LEU A 68 6.661 -9.844 9.543 1.00 11.54 H new ATOM 1104 N VAL A 69 8.785 -13.482 7.509 1.00 22.13 N ATOM 1105 CA VAL A 69 9.420 -14.473 6.575 1.00 72.34 C ATOM 1106 C VAL A 69 9.890 -15.767 7.337 1.00 71.30 C ATOM 1107 O VAL A 69 10.920 -16.375 7.021 1.00 60.34 O ATOM 1108 CB VAL A 69 10.613 -13.786 5.775 1.00 44.33 C ATOM 1109 CG1 VAL A 69 11.157 -14.670 4.611 1.00 42.42 C ATOM 1110 CG2 VAL A 69 10.181 -12.408 5.232 1.00 52.40 C ATOM 0 H VAL A 69 9.426 -12.760 7.838 1.00 22.13 H new ATOM 0 HA VAL A 69 8.671 -14.795 5.852 1.00 72.34 H new ATOM 0 HB VAL A 69 11.428 -13.660 6.488 1.00 44.33 H new ATOM 0 HG11 VAL A 69 11.968 -14.146 4.105 1.00 42.42 H new ATOM 0 HG12 VAL A 69 11.529 -15.613 5.013 1.00 42.42 H new ATOM 0 HG13 VAL A 69 10.355 -14.870 3.900 1.00 42.42 H new ATOM 0 HG21 VAL A 69 11.010 -11.955 4.689 1.00 52.40 H new ATOM 0 HG22 VAL A 69 9.331 -12.532 4.561 1.00 52.40 H new ATOM 0 HG23 VAL A 69 9.896 -11.763 6.063 1.00 52.40 H new ATOM 1120 N LEU A 70 9.080 -16.183 8.344 1.00 3.52 N ATOM 1121 CA LEU A 70 9.261 -17.445 9.119 1.00 31.11 C ATOM 1122 C LEU A 70 10.672 -17.570 9.771 1.00 51.51 C ATOM 1123 O LEU A 70 11.155 -18.687 10.010 1.00 35.43 O ATOM 1124 CB LEU A 70 8.941 -18.669 8.207 1.00 20.51 C ATOM 1125 CG LEU A 70 7.531 -18.670 7.531 1.00 54.12 C ATOM 1126 CD1 LEU A 70 7.378 -19.868 6.566 1.00 54.11 C ATOM 1127 CD2 LEU A 70 6.399 -18.634 8.586 1.00 35.02 C ATOM 0 H LEU A 70 8.269 -15.645 8.648 1.00 3.52 H new ATOM 0 HA LEU A 70 8.559 -17.422 9.952 1.00 31.11 H new ATOM 0 HB2 LEU A 70 9.697 -18.721 7.424 1.00 20.51 H new ATOM 0 HB3 LEU A 70 9.037 -19.576 8.804 1.00 20.51 H new ATOM 0 HG LEU A 70 7.444 -17.760 6.938 1.00 54.12 H new ATOM 0 HD11 LEU A 70 6.388 -19.844 6.110 1.00 54.11 H new ATOM 0 HD12 LEU A 70 8.138 -19.807 5.787 1.00 54.11 H new ATOM 0 HD13 LEU A 70 7.500 -20.799 7.120 1.00 54.11 H new ATOM 0 HD21 LEU A 70 5.432 -18.636 8.083 1.00 35.02 H new ATOM 0 HD22 LEU A 70 6.474 -19.510 9.230 1.00 35.02 H new ATOM 0 HD23 LEU A 70 6.492 -17.731 9.189 1.00 35.02 H new ATOM 1139 N GLU A 71 11.290 -16.404 10.091 1.00 72.51 N ATOM 1140 CA GLU A 71 12.674 -16.324 10.619 1.00 10.13 C ATOM 1141 C GLU A 71 12.799 -17.122 11.945 1.00 3.14 C ATOM 1142 O GLU A 71 11.982 -16.963 12.856 1.00 24.45 O ATOM 1143 CB GLU A 71 13.125 -14.829 10.804 1.00 61.33 C ATOM 1144 CG GLU A 71 14.611 -14.533 10.444 1.00 4.33 C ATOM 1145 CD GLU A 71 15.633 -15.417 11.185 1.00 65.31 C ATOM 1146 OE1 GLU A 71 15.952 -15.125 12.346 1.00 3.40 O ATOM 1147 OE2 GLU A 71 16.096 -16.437 10.615 1.00 10.42 O ATOM 0 H GLU A 71 10.841 -15.494 9.990 1.00 72.51 H new ATOM 0 HA GLU A 71 13.344 -16.778 9.889 1.00 10.13 H new ATOM 0 HB2 GLU A 71 12.486 -14.195 10.189 1.00 61.33 H new ATOM 0 HB3 GLU A 71 12.955 -14.541 11.842 1.00 61.33 H new ATOM 0 HG2 GLU A 71 14.745 -14.665 9.370 1.00 4.33 H new ATOM 0 HG3 GLU A 71 14.825 -13.487 10.666 1.00 4.33 H new ATOM 1154 N HIS A 72 13.851 -17.954 12.026 1.00 1.55 N ATOM 1155 CA HIS A 72 13.953 -19.063 13.002 1.00 74.23 C ATOM 1156 C HIS A 72 14.573 -18.647 14.367 1.00 32.15 C ATOM 1157 O HIS A 72 14.613 -19.467 15.290 1.00 54.43 O ATOM 1158 CB HIS A 72 14.769 -20.214 12.358 1.00 60.54 C ATOM 1159 CG HIS A 72 14.285 -20.595 10.976 1.00 31.44 C ATOM 1160 ND1 HIS A 72 14.819 -20.067 9.820 1.00 1.21 N ATOM 1161 CD2 HIS A 72 13.299 -21.433 10.572 1.00 44.32 C ATOM 1162 CE1 HIS A 72 14.185 -20.559 8.777 1.00 32.42 C ATOM 1163 NE2 HIS A 72 13.258 -21.387 9.201 1.00 52.42 N ATOM 0 H HIS A 72 14.663 -17.879 11.413 1.00 1.55 H new ATOM 0 HA HIS A 72 12.939 -19.388 13.235 1.00 74.23 H new ATOM 0 HB2 HIS A 72 15.816 -19.918 12.299 1.00 60.54 H new ATOM 0 HB3 HIS A 72 14.721 -21.089 13.006 1.00 60.54 H new ATOM 0 HD2 HIS A 72 12.663 -22.027 11.211 1.00 44.32 H new ATOM 0 HE1 HIS A 72 14.393 -20.321 7.744 1.00 32.42 H new ATOM 0 HE2 HIS A 72 12.613 -21.910 8.609 1.00 52.42 H new ATOM 1172 N HIS A 73 15.038 -17.383 14.502 1.00 25.33 N ATOM 1173 CA HIS A 73 15.668 -16.889 15.759 1.00 15.43 C ATOM 1174 C HIS A 73 14.608 -16.701 16.879 1.00 13.15 C ATOM 1175 O HIS A 73 13.816 -15.752 16.836 1.00 71.13 O ATOM 1176 CB HIS A 73 16.430 -15.566 15.493 1.00 74.01 C ATOM 1177 CG HIS A 73 17.287 -15.096 16.632 1.00 25.13 C ATOM 1178 ND1 HIS A 73 17.102 -13.891 17.275 1.00 1.34 N ATOM 1179 CD2 HIS A 73 18.364 -15.664 17.221 1.00 2.23 C ATOM 1180 CE1 HIS A 73 18.023 -13.741 18.201 1.00 0.52 C ATOM 1181 NE2 HIS A 73 18.803 -14.800 18.192 1.00 12.22 N ATOM 0 H HIS A 73 14.991 -16.684 13.760 1.00 25.33 H new ATOM 0 HA HIS A 73 16.382 -17.638 16.101 1.00 15.43 H new ATOM 0 HB2 HIS A 73 17.059 -15.696 14.612 1.00 74.01 H new ATOM 0 HB3 HIS A 73 15.706 -14.787 15.256 1.00 74.01 H new ATOM 0 HD2 HIS A 73 18.798 -16.621 16.973 1.00 2.23 H new ATOM 0 HE1 HIS A 73 18.123 -12.890 18.859 1.00 0.52 H new ATOM 0 HE2 HIS A 73 19.603 -14.954 18.806 1.00 12.22 H new ATOM 1190 N HIS A 74 14.596 -17.647 17.851 1.00 75.24 N ATOM 1191 CA HIS A 74 13.623 -17.692 18.979 1.00 31.31 C ATOM 1192 C HIS A 74 12.159 -17.862 18.490 1.00 54.02 C ATOM 1193 O HIS A 74 11.211 -17.523 19.204 1.00 60.33 O ATOM 1194 CB HIS A 74 13.783 -16.465 19.931 1.00 23.12 C ATOM 1195 CG HIS A 74 15.044 -16.502 20.745 1.00 61.23 C ATOM 1196 ND1 HIS A 74 15.090 -17.008 22.027 1.00 21.30 N ATOM 1197 CD2 HIS A 74 16.311 -16.120 20.455 1.00 11.42 C ATOM 1198 CE1 HIS A 74 16.318 -16.938 22.486 1.00 0.53 C ATOM 1199 NE2 HIS A 74 17.078 -16.402 21.555 1.00 52.32 N ATOM 0 H HIS A 74 15.270 -18.412 17.877 1.00 75.24 H new ATOM 0 HA HIS A 74 13.859 -18.583 19.561 1.00 31.31 H new ATOM 0 HB2 HIS A 74 13.769 -15.550 19.338 1.00 23.12 H new ATOM 0 HB3 HIS A 74 12.926 -16.422 20.604 1.00 23.12 H new ATOM 0 HD2 HIS A 74 16.652 -15.677 19.531 1.00 11.42 H new ATOM 0 HE1 HIS A 74 16.648 -17.265 23.461 1.00 0.53 H new ATOM 0 HE2 HIS A 74 18.079 -16.225 21.639 1.00 52.32 H new ATOM 1208 N HIS A 75 11.997 -18.439 17.288 1.00 71.21 N ATOM 1209 CA HIS A 75 10.680 -18.701 16.679 1.00 70.34 C ATOM 1210 C HIS A 75 10.021 -19.917 17.377 1.00 51.31 C ATOM 1211 O HIS A 75 10.498 -21.048 17.230 1.00 71.33 O ATOM 1212 CB HIS A 75 10.875 -18.958 15.162 1.00 43.11 C ATOM 1213 CG HIS A 75 9.616 -19.029 14.337 1.00 33.12 C ATOM 1214 ND1 HIS A 75 9.277 -18.063 13.412 1.00 41.13 N ATOM 1215 CD2 HIS A 75 8.646 -19.970 14.255 1.00 41.40 C ATOM 1216 CE1 HIS A 75 8.161 -18.406 12.808 1.00 63.22 C ATOM 1217 NE2 HIS A 75 7.756 -19.557 13.299 1.00 40.03 N ATOM 0 H HIS A 75 12.780 -18.739 16.707 1.00 71.21 H new ATOM 0 HA HIS A 75 10.021 -17.842 16.806 1.00 70.34 H new ATOM 0 HB2 HIS A 75 11.506 -18.167 14.758 1.00 43.11 H new ATOM 0 HB3 HIS A 75 11.419 -19.894 15.039 1.00 43.11 H new ATOM 0 HD2 HIS A 75 8.585 -20.878 14.836 1.00 41.40 H new ATOM 0 HE1 HIS A 75 7.661 -17.838 12.038 1.00 63.22 H new ATOM 0 HE2 HIS A 75 6.916 -20.060 13.014 1.00 40.03 H new ATOM 1226 N HIS A 76 8.945 -19.662 18.147 1.00 23.04 N ATOM 1227 CA HIS A 76 8.210 -20.715 18.897 1.00 15.43 C ATOM 1228 C HIS A 76 7.577 -21.789 17.965 1.00 1.24 C ATOM 1229 O HIS A 76 7.287 -21.515 16.794 1.00 41.31 O ATOM 1230 CB HIS A 76 7.134 -20.073 19.816 1.00 40.14 C ATOM 1231 CG HIS A 76 6.189 -19.126 19.117 1.00 32.12 C ATOM 1232 ND1 HIS A 76 6.306 -17.761 19.204 1.00 52.22 N ATOM 1233 CD2 HIS A 76 5.111 -19.348 18.326 1.00 53.20 C ATOM 1234 CE1 HIS A 76 5.359 -17.191 18.501 1.00 40.31 C ATOM 1235 NE2 HIS A 76 4.617 -18.123 17.957 1.00 2.05 N ATOM 0 H HIS A 76 8.558 -18.727 18.270 1.00 23.04 H new ATOM 0 HA HIS A 76 8.941 -21.236 19.515 1.00 15.43 H new ATOM 0 HB2 HIS A 76 6.551 -20.869 20.280 1.00 40.14 H new ATOM 0 HB3 HIS A 76 7.637 -19.535 20.620 1.00 40.14 H new ATOM 0 HD1 HIS A 76 7.022 -17.266 19.736 1.00 52.22 H new ATOM 0 HD2 HIS A 76 4.715 -20.311 18.039 1.00 53.20 H new ATOM 0 HE1 HIS A 76 5.214 -16.127 18.388 1.00 40.31 H new ATOM 1244 N HIS A 77 7.357 -22.998 18.522 1.00 73.55 N ATOM 1245 CA HIS A 77 6.835 -24.173 17.780 1.00 65.24 C ATOM 1246 C HIS A 77 5.438 -23.894 17.171 1.00 62.50 C ATOM 1247 O HIS A 77 5.037 -24.511 16.180 1.00 41.01 O ATOM 1248 CB HIS A 77 6.788 -25.395 18.741 1.00 42.13 C ATOM 1249 CG HIS A 77 6.489 -26.722 18.078 1.00 12.43 C ATOM 1250 ND1 HIS A 77 7.472 -27.524 17.535 1.00 63.11 N ATOM 1251 CD2 HIS A 77 5.321 -27.384 17.874 1.00 25.12 C ATOM 1252 CE1 HIS A 77 6.924 -28.608 17.024 1.00 34.24 C ATOM 1253 NE2 HIS A 77 5.622 -28.550 17.216 1.00 4.30 N ATOM 0 H HIS A 77 7.537 -23.192 19.507 1.00 73.55 H new ATOM 0 HA HIS A 77 7.503 -24.387 16.946 1.00 65.24 H new ATOM 0 HB2 HIS A 77 7.747 -25.471 19.254 1.00 42.13 H new ATOM 0 HB3 HIS A 77 6.032 -25.209 19.504 1.00 42.13 H new ATOM 0 HD2 HIS A 77 4.337 -27.054 18.174 1.00 25.12 H new ATOM 0 HE1 HIS A 77 7.454 -29.410 16.531 1.00 34.24 H new ATOM 0 HE2 HIS A 77 4.947 -29.257 16.923 1.00 4.30 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 4.495 -18.117 -6.152 1.00 50.15 N ATOM 1264 CA MET B 1 3.341 -18.681 -6.856 1.00 61.51 C ATOM 1265 C MET B 1 2.077 -17.799 -6.646 1.00 70.53 C ATOM 1266 O MET B 1 1.369 -17.939 -5.638 1.00 41.40 O ATOM 1267 CB MET B 1 3.095 -20.149 -6.395 1.00 15.01 C ATOM 1268 CG MET B 1 1.868 -20.824 -7.023 1.00 74.14 C ATOM 1269 SD MET B 1 1.932 -20.843 -8.829 1.00 34.11 S ATOM 1270 CE MET B 1 0.370 -21.631 -9.230 1.00 32.43 C ATOM 0 H1 MET B 1 5.362 -18.598 -6.466 1.00 50.15 H new ATOM 0 H2 MET B 1 4.567 -17.101 -6.362 1.00 50.15 H new ATOM 0 H3 MET B 1 4.376 -18.251 -5.128 1.00 50.15 H new ATOM 0 HA MET B 1 3.555 -18.693 -7.925 1.00 61.51 H new ATOM 0 HB2 MET B 1 3.979 -20.742 -6.631 1.00 15.01 H new ATOM 0 HB3 MET B 1 2.983 -20.161 -5.311 1.00 15.01 H new ATOM 0 HG2 MET B 1 1.793 -21.847 -6.655 1.00 74.14 H new ATOM 0 HG3 MET B 1 0.967 -20.303 -6.701 1.00 74.14 H new ATOM 0 HE1 MET B 1 0.270 -21.711 -10.312 1.00 32.43 H new ATOM 0 HE2 MET B 1 0.341 -22.627 -8.788 1.00 32.43 H new ATOM 0 HE3 MET B 1 -0.451 -21.034 -8.833 1.00 32.43 H new ATOM 1280 N LYS B 2 1.859 -16.853 -7.594 1.00 62.14 N ATOM 1281 CA LYS B 2 0.649 -15.986 -7.667 1.00 75.23 C ATOM 1282 C LYS B 2 0.425 -15.186 -6.344 1.00 73.13 C ATOM 1283 O LYS B 2 -0.706 -15.012 -5.873 1.00 54.33 O ATOM 1284 CB LYS B 2 -0.600 -16.843 -8.073 1.00 2.11 C ATOM 1285 CG LYS B 2 -1.828 -16.021 -8.561 1.00 42.31 C ATOM 1286 CD LYS B 2 -3.069 -16.891 -8.867 1.00 35.25 C ATOM 1287 CE LYS B 2 -2.809 -17.940 -9.963 1.00 60.22 C ATOM 1288 NZ LYS B 2 -4.025 -18.735 -10.267 1.00 61.00 N ATOM 0 H LYS B 2 2.527 -16.666 -8.342 1.00 62.14 H new ATOM 0 HA LYS B 2 0.805 -15.236 -8.442 1.00 75.23 H new ATOM 0 HB2 LYS B 2 -0.307 -17.534 -8.863 1.00 2.11 H new ATOM 0 HB3 LYS B 2 -0.902 -17.447 -7.217 1.00 2.11 H new ATOM 0 HG2 LYS B 2 -2.088 -15.285 -7.800 1.00 42.31 H new ATOM 0 HG3 LYS B 2 -1.552 -15.468 -9.458 1.00 42.31 H new ATOM 0 HD2 LYS B 2 -3.386 -17.397 -7.955 1.00 35.25 H new ATOM 0 HD3 LYS B 2 -3.892 -16.246 -9.176 1.00 35.25 H new ATOM 0 HE2 LYS B 2 -2.465 -17.441 -10.869 1.00 60.22 H new ATOM 0 HE3 LYS B 2 -2.009 -18.608 -9.644 1.00 60.22 H new ATOM 0 HZ1 LYS B 2 -3.809 -19.430 -11.010 1.00 61.00 H new ATOM 0 HZ2 LYS B 2 -4.339 -19.232 -9.409 1.00 61.00 H new ATOM 0 HZ3 LYS B 2 -4.781 -18.101 -10.596 1.00 61.00 H new ATOM 1302 N MET B 3 1.533 -14.700 -5.761 1.00 22.22 N ATOM 1303 CA MET B 3 1.526 -13.948 -4.484 1.00 55.44 C ATOM 1304 C MET B 3 0.821 -12.572 -4.594 1.00 11.24 C ATOM 1305 O MET B 3 0.645 -12.022 -5.690 1.00 63.54 O ATOM 1306 CB MET B 3 2.985 -13.750 -3.978 1.00 54.55 C ATOM 1307 CG MET B 3 3.682 -15.037 -3.526 1.00 12.13 C ATOM 1308 SD MET B 3 2.823 -15.813 -2.138 1.00 25.23 S ATOM 1309 CE MET B 3 3.917 -17.181 -1.763 1.00 53.03 C ATOM 0 H MET B 3 2.465 -14.815 -6.159 1.00 22.22 H new ATOM 0 HA MET B 3 0.955 -14.543 -3.771 1.00 55.44 H new ATOM 0 HB2 MET B 3 3.573 -13.294 -4.774 1.00 54.55 H new ATOM 0 HB3 MET B 3 2.975 -13.046 -3.146 1.00 54.55 H new ATOM 0 HG2 MET B 3 3.730 -15.737 -4.361 1.00 12.13 H new ATOM 0 HG3 MET B 3 4.709 -14.812 -3.238 1.00 12.13 H new ATOM 0 HE1 MET B 3 3.514 -17.750 -0.925 1.00 53.03 H new ATOM 0 HE2 MET B 3 4.001 -17.829 -2.635 1.00 53.03 H new ATOM 0 HE3 MET B 3 4.903 -16.797 -1.500 1.00 53.03 H new ATOM 1319 N LEU B 4 0.444 -12.025 -3.421 1.00 72.44 N ATOM 1320 CA LEU B 4 -0.077 -10.647 -3.293 1.00 12.12 C ATOM 1321 C LEU B 4 1.005 -9.607 -3.695 1.00 33.44 C ATOM 1322 O LEU B 4 0.678 -8.485 -4.084 1.00 52.02 O ATOM 1323 CB LEU B 4 -0.612 -10.374 -1.848 1.00 74.44 C ATOM 1324 CG LEU B 4 -1.939 -11.103 -1.424 1.00 4.11 C ATOM 1325 CD1 LEU B 4 -3.081 -10.820 -2.423 1.00 23.11 C ATOM 1326 CD2 LEU B 4 -1.733 -12.620 -1.207 1.00 2.55 C ATOM 0 H LEU B 4 0.492 -12.526 -2.534 1.00 72.44 H new ATOM 0 HA LEU B 4 -0.917 -10.542 -3.980 1.00 12.12 H new ATOM 0 HB2 LEU B 4 0.168 -10.654 -1.140 1.00 74.44 H new ATOM 0 HB3 LEU B 4 -0.768 -9.300 -1.743 1.00 74.44 H new ATOM 0 HG LEU B 4 -2.234 -10.688 -0.460 1.00 4.11 H new ATOM 0 HD11 LEU B 4 -3.984 -11.339 -2.100 1.00 23.11 H new ATOM 0 HD12 LEU B 4 -3.273 -9.748 -2.462 1.00 23.11 H new ATOM 0 HD13 LEU B 4 -2.794 -11.173 -3.413 1.00 23.11 H new ATOM 0 HD21 LEU B 4 -2.678 -13.078 -0.916 1.00 2.55 H new ATOM 0 HD22 LEU B 4 -1.379 -13.075 -2.132 1.00 2.55 H new ATOM 0 HD23 LEU B 4 -0.996 -12.778 -0.420 1.00 2.55 H new ATOM 1338 N LYS B 5 2.286 -10.019 -3.618 1.00 42.34 N ATOM 1339 CA LYS B 5 3.429 -9.234 -4.133 1.00 70.44 C ATOM 1340 C LYS B 5 3.456 -9.221 -5.681 1.00 41.22 C ATOM 1341 O LYS B 5 3.669 -8.174 -6.301 1.00 15.03 O ATOM 1342 CB LYS B 5 4.756 -9.826 -3.596 1.00 24.33 C ATOM 1343 CG LYS B 5 6.042 -9.184 -4.191 1.00 51.33 C ATOM 1344 CD LYS B 5 7.299 -9.420 -3.331 1.00 1.43 C ATOM 1345 CE LYS B 5 7.185 -8.730 -1.965 1.00 54.13 C ATOM 1346 NZ LYS B 5 8.412 -8.882 -1.164 1.00 61.41 N ATOM 0 H LYS B 5 2.559 -10.907 -3.196 1.00 42.34 H new ATOM 0 HA LYS B 5 3.314 -8.207 -3.787 1.00 70.44 H new ATOM 0 HB2 LYS B 5 4.777 -9.711 -2.512 1.00 24.33 H new ATOM 0 HB3 LYS B 5 4.771 -10.896 -3.804 1.00 24.33 H new ATOM 0 HG2 LYS B 5 6.213 -9.588 -5.189 1.00 51.33 H new ATOM 0 HG3 LYS B 5 5.885 -8.111 -4.304 1.00 51.33 H new ATOM 0 HD2 LYS B 5 7.447 -10.490 -3.188 1.00 1.43 H new ATOM 0 HD3 LYS B 5 8.177 -9.044 -3.857 1.00 1.43 H new ATOM 0 HE2 LYS B 5 6.977 -7.670 -2.111 1.00 54.13 H new ATOM 0 HE3 LYS B 5 6.341 -9.148 -1.417 1.00 54.13 H new ATOM 0 HZ1 LYS B 5 8.625 -7.985 -0.682 1.00 61.41 H new ATOM 0 HZ2 LYS B 5 8.274 -9.631 -0.456 1.00 61.41 H new ATOM 0 HZ3 LYS B 5 9.204 -9.137 -1.788 1.00 61.41 H new ATOM 1360 N GLU B 6 3.240 -10.406 -6.284 1.00 44.13 N ATOM 1361 CA GLU B 6 3.319 -10.594 -7.746 1.00 1.03 C ATOM 1362 C GLU B 6 2.209 -9.812 -8.482 1.00 40.33 C ATOM 1363 O GLU B 6 2.469 -9.176 -9.508 1.00 60.44 O ATOM 1364 CB GLU B 6 3.262 -12.103 -8.097 1.00 15.15 C ATOM 1365 CG GLU B 6 4.488 -12.902 -7.605 1.00 23.12 C ATOM 1366 CD GLU B 6 4.413 -14.401 -7.929 1.00 34.31 C ATOM 1367 OE1 GLU B 6 4.393 -14.764 -9.128 1.00 71.40 O ATOM 1368 OE2 GLU B 6 4.353 -15.224 -6.995 1.00 33.22 O ATOM 0 H GLU B 6 3.007 -11.258 -5.773 1.00 44.13 H new ATOM 0 HA GLU B 6 4.274 -10.193 -8.085 1.00 1.03 H new ATOM 0 HB2 GLU B 6 2.360 -12.534 -7.662 1.00 15.15 H new ATOM 0 HB3 GLU B 6 3.178 -12.212 -9.178 1.00 15.15 H new ATOM 0 HG2 GLU B 6 5.388 -12.485 -8.057 1.00 23.12 H new ATOM 0 HG3 GLU B 6 4.585 -12.776 -6.527 1.00 23.12 H new ATOM 1375 N LYS B 7 0.972 -9.857 -7.940 1.00 2.14 N ATOM 1376 CA LYS B 7 -0.161 -9.078 -8.490 1.00 21.42 C ATOM 1377 C LYS B 7 -0.008 -7.561 -8.188 1.00 62.51 C ATOM 1378 O LYS B 7 -0.528 -6.742 -8.930 1.00 22.42 O ATOM 1379 CB LYS B 7 -1.533 -9.655 -7.996 1.00 63.22 C ATOM 1380 CG LYS B 7 -1.802 -9.619 -6.459 1.00 71.15 C ATOM 1381 CD LYS B 7 -2.436 -8.296 -5.924 1.00 12.31 C ATOM 1382 CE LYS B 7 -3.948 -8.127 -6.225 1.00 21.45 C ATOM 1383 NZ LYS B 7 -4.255 -7.993 -7.675 1.00 31.24 N ATOM 0 H LYS B 7 0.733 -10.422 -7.125 1.00 2.14 H new ATOM 0 HA LYS B 7 -0.147 -9.179 -9.575 1.00 21.42 H new ATOM 0 HB2 LYS B 7 -2.331 -9.104 -8.493 1.00 63.22 H new ATOM 0 HB3 LYS B 7 -1.605 -10.690 -8.329 1.00 63.22 H new ATOM 0 HG2 LYS B 7 -2.461 -10.448 -6.203 1.00 71.15 H new ATOM 0 HG3 LYS B 7 -0.860 -9.788 -5.938 1.00 71.15 H new ATOM 0 HD2 LYS B 7 -2.288 -8.250 -4.845 1.00 12.31 H new ATOM 0 HD3 LYS B 7 -1.898 -7.452 -6.356 1.00 12.31 H new ATOM 0 HE2 LYS B 7 -4.488 -8.986 -5.826 1.00 21.45 H new ATOM 0 HE3 LYS B 7 -4.318 -7.246 -5.701 1.00 21.45 H new ATOM 0 HZ1 LYS B 7 -5.134 -7.450 -7.795 1.00 31.24 H new ATOM 0 HZ2 LYS B 7 -3.474 -7.497 -8.151 1.00 31.24 H new ATOM 0 HZ3 LYS B 7 -4.372 -8.938 -8.094 1.00 31.24 H new ATOM 1397 N ALA B 8 0.700 -7.206 -7.087 1.00 22.42 N ATOM 1398 CA ALA B 8 1.018 -5.787 -6.743 1.00 13.10 C ATOM 1399 C ALA B 8 1.930 -5.138 -7.814 1.00 35.30 C ATOM 1400 O ALA B 8 1.632 -4.054 -8.325 1.00 62.00 O ATOM 1401 CB ALA B 8 1.683 -5.698 -5.357 1.00 13.42 C ATOM 0 H ALA B 8 1.065 -7.882 -6.416 1.00 22.42 H new ATOM 0 HA ALA B 8 0.078 -5.236 -6.718 1.00 13.10 H new ATOM 0 HB1 ALA B 8 1.906 -4.656 -5.127 1.00 13.42 H new ATOM 0 HB2 ALA B 8 1.007 -6.100 -4.602 1.00 13.42 H new ATOM 0 HB3 ALA B 8 2.608 -6.275 -5.359 1.00 13.42 H new ATOM 1407 N GLY B 9 3.033 -5.840 -8.144 1.00 31.13 N ATOM 1408 CA GLY B 9 3.970 -5.413 -9.192 1.00 31.40 C ATOM 1409 C GLY B 9 3.376 -5.457 -10.607 1.00 11.34 C ATOM 1410 O GLY B 9 3.749 -4.653 -11.473 1.00 72.41 O ATOM 0 H GLY B 9 3.295 -6.715 -7.691 1.00 31.13 H new ATOM 0 HA2 GLY B 9 4.302 -4.397 -8.978 1.00 31.40 H new ATOM 0 HA3 GLY B 9 4.854 -6.050 -9.159 1.00 31.40 H new ATOM 1414 N ALA B 10 2.461 -6.422 -10.838 1.00 33.21 N ATOM 1415 CA ALA B 10 1.696 -6.531 -12.103 1.00 50.21 C ATOM 1416 C ALA B 10 0.776 -5.300 -12.304 1.00 35.20 C ATOM 1417 O ALA B 10 0.795 -4.663 -13.363 1.00 71.23 O ATOM 1418 CB ALA B 10 0.868 -7.830 -12.117 1.00 40.35 C ATOM 0 H ALA B 10 2.231 -7.146 -10.157 1.00 33.21 H new ATOM 0 HA ALA B 10 2.407 -6.559 -12.929 1.00 50.21 H new ATOM 0 HB1 ALA B 10 0.311 -7.897 -13.052 1.00 40.35 H new ATOM 0 HB2 ALA B 10 1.535 -8.688 -12.030 1.00 40.35 H new ATOM 0 HB3 ALA B 10 0.171 -7.826 -11.279 1.00 40.35 H new ATOM 1424 N LEU B 11 0.005 -4.959 -11.246 1.00 3.32 N ATOM 1425 CA LEU B 11 -0.877 -3.766 -11.224 1.00 61.03 C ATOM 1426 C LEU B 11 -0.065 -2.463 -11.344 1.00 32.42 C ATOM 1427 O LEU B 11 -0.518 -1.518 -11.974 1.00 32.14 O ATOM 1428 CB LEU B 11 -1.730 -3.736 -9.926 1.00 71.04 C ATOM 1429 CG LEU B 11 -2.820 -4.846 -9.805 1.00 11.34 C ATOM 1430 CD1 LEU B 11 -3.460 -4.847 -8.407 1.00 74.43 C ATOM 1431 CD2 LEU B 11 -3.886 -4.713 -10.917 1.00 25.13 C ATOM 0 H LEU B 11 -0.024 -5.502 -10.383 1.00 3.32 H new ATOM 0 HA LEU B 11 -1.541 -3.837 -12.085 1.00 61.03 H new ATOM 0 HB2 LEU B 11 -1.059 -3.817 -9.071 1.00 71.04 H new ATOM 0 HB3 LEU B 11 -2.219 -2.764 -9.857 1.00 71.04 H new ATOM 0 HG LEU B 11 -2.328 -5.809 -9.941 1.00 11.34 H new ATOM 0 HD11 LEU B 11 -4.215 -5.631 -8.353 1.00 74.43 H new ATOM 0 HD12 LEU B 11 -2.692 -5.031 -7.655 1.00 74.43 H new ATOM 0 HD13 LEU B 11 -3.927 -3.880 -8.220 1.00 74.43 H new ATOM 0 HD21 LEU B 11 -4.630 -5.501 -10.804 1.00 25.13 H new ATOM 0 HD22 LEU B 11 -4.373 -3.741 -10.840 1.00 25.13 H new ATOM 0 HD23 LEU B 11 -3.408 -4.803 -11.892 1.00 25.13 H new ATOM 1443 N ALA B 12 1.148 -2.444 -10.759 1.00 44.32 N ATOM 1444 CA ALA B 12 2.054 -1.271 -10.797 1.00 2.21 C ATOM 1445 C ALA B 12 2.331 -0.777 -12.242 1.00 41.31 C ATOM 1446 O ALA B 12 2.529 0.422 -12.468 1.00 4.05 O ATOM 1447 CB ALA B 12 3.372 -1.596 -10.082 1.00 21.51 C ATOM 0 H ALA B 12 1.531 -3.238 -10.246 1.00 44.32 H new ATOM 0 HA ALA B 12 1.548 -0.459 -10.276 1.00 2.21 H new ATOM 0 HB1 ALA B 12 4.029 -0.727 -10.117 1.00 21.51 H new ATOM 0 HB2 ALA B 12 3.168 -1.855 -9.043 1.00 21.51 H new ATOM 0 HB3 ALA B 12 3.857 -2.437 -10.577 1.00 21.51 H new ATOM 1453 N GLY B 13 2.328 -1.723 -13.201 1.00 33.10 N ATOM 1454 CA GLY B 13 2.418 -1.396 -14.625 1.00 43.01 C ATOM 1455 C GLY B 13 1.251 -0.527 -15.130 1.00 22.11 C ATOM 1456 O GLY B 13 1.476 0.553 -15.672 1.00 25.44 O ATOM 0 H GLY B 13 2.264 -2.722 -13.007 1.00 33.10 H new ATOM 0 HA2 GLY B 13 3.357 -0.874 -14.811 1.00 43.01 H new ATOM 0 HA3 GLY B 13 2.448 -2.321 -15.201 1.00 43.01 H new ATOM 1460 N GLN B 14 -0.002 -0.981 -14.892 1.00 3.10 N ATOM 1461 CA GLN B 14 -1.225 -0.287 -15.393 1.00 33.33 C ATOM 1462 C GLN B 14 -1.548 1.011 -14.592 1.00 30.10 C ATOM 1463 O GLN B 14 -2.108 1.956 -15.153 1.00 42.03 O ATOM 1464 CB GLN B 14 -2.452 -1.255 -15.409 1.00 23.52 C ATOM 1465 CG GLN B 14 -2.854 -1.831 -14.036 1.00 23.45 C ATOM 1466 CD GLN B 14 -4.015 -2.828 -14.099 1.00 65.40 C ATOM 1467 OE1 GLN B 14 -5.177 -2.467 -13.970 1.00 65.12 O ATOM 1468 NE2 GLN B 14 -3.710 -4.092 -14.309 1.00 41.14 N ATOM 0 H GLN B 14 -0.199 -1.826 -14.356 1.00 3.10 H new ATOM 0 HA GLN B 14 -1.014 0.020 -16.417 1.00 33.33 H new ATOM 0 HB2 GLN B 14 -3.307 -0.724 -15.827 1.00 23.52 H new ATOM 0 HB3 GLN B 14 -2.232 -2.084 -16.082 1.00 23.52 H new ATOM 0 HG2 GLN B 14 -1.989 -2.323 -13.592 1.00 23.45 H new ATOM 0 HG3 GLN B 14 -3.128 -1.010 -13.374 1.00 23.45 H new ATOM 0 HE21 GLN B 14 -2.734 -4.371 -14.414 1.00 41.14 H new ATOM 0 HE22 GLN B 14 -4.449 -4.792 -14.367 1.00 41.14 H new ATOM 1477 N ILE B 15 -1.202 1.043 -13.278 1.00 31.03 N ATOM 1478 CA ILE B 15 -1.371 2.254 -12.414 1.00 70.43 C ATOM 1479 C ILE B 15 -0.439 3.389 -12.909 1.00 34.53 C ATOM 1480 O ILE B 15 -0.845 4.557 -13.007 1.00 21.02 O ATOM 1481 CB ILE B 15 -1.076 1.949 -10.882 1.00 43.00 C ATOM 1482 CG1 ILE B 15 -1.925 0.744 -10.352 1.00 31.35 C ATOM 1483 CG2 ILE B 15 -1.303 3.204 -9.992 1.00 4.41 C ATOM 1484 CD1 ILE B 15 -3.428 0.931 -10.387 1.00 72.13 C ATOM 0 H ILE B 15 -0.802 0.243 -12.787 1.00 31.03 H new ATOM 0 HA ILE B 15 -2.413 2.565 -12.492 1.00 70.43 H new ATOM 0 HB ILE B 15 -0.024 1.672 -10.818 1.00 43.00 H new ATOM 0 HG12 ILE B 15 -1.674 -0.139 -10.939 1.00 31.35 H new ATOM 0 HG13 ILE B 15 -1.627 0.538 -9.324 1.00 31.35 H new ATOM 0 HG21 ILE B 15 -1.091 2.956 -8.952 1.00 4.41 H new ATOM 0 HG22 ILE B 15 -0.639 4.005 -10.316 1.00 4.41 H new ATOM 0 HG23 ILE B 15 -2.338 3.532 -10.083 1.00 4.41 H new ATOM 0 HD11 ILE B 15 -3.915 0.037 -9.998 1.00 72.13 H new ATOM 0 HD12 ILE B 15 -3.702 1.790 -9.774 1.00 72.13 H new ATOM 0 HD13 ILE B 15 -3.750 1.101 -11.414 1.00 72.13 H new ATOM 1496 N TRP B 16 0.818 3.012 -13.228 1.00 22.41 N ATOM 1497 CA TRP B 16 1.804 3.923 -13.846 1.00 23.15 C ATOM 1498 C TRP B 16 1.324 4.395 -15.246 1.00 13.43 C ATOM 1499 O TRP B 16 1.426 5.578 -15.566 1.00 41.32 O ATOM 1500 CB TRP B 16 3.194 3.232 -13.958 1.00 52.23 C ATOM 1501 CG TRP B 16 4.315 4.160 -14.396 1.00 2.24 C ATOM 1502 CD1 TRP B 16 5.124 4.900 -13.585 1.00 50.21 C ATOM 1503 CD2 TRP B 16 4.726 4.461 -15.740 1.00 35.22 C ATOM 1504 NE1 TRP B 16 6.006 5.636 -14.335 1.00 4.05 N ATOM 1505 CE2 TRP B 16 5.778 5.388 -15.659 1.00 2.33 C ATOM 1506 CE3 TRP B 16 4.303 4.037 -17.001 1.00 72.01 C ATOM 1507 CZ2 TRP B 16 6.410 5.900 -16.788 1.00 40.45 C ATOM 1508 CZ3 TRP B 16 4.927 4.545 -18.117 1.00 61.55 C ATOM 1509 CH2 TRP B 16 5.969 5.469 -18.008 1.00 31.31 C ATOM 0 H TRP B 16 1.176 2.071 -13.065 1.00 22.41 H new ATOM 0 HA TRP B 16 1.900 4.798 -13.204 1.00 23.15 H new ATOM 0 HB2 TRP B 16 3.452 2.800 -12.991 1.00 52.23 H new ATOM 0 HB3 TRP B 16 3.122 2.407 -14.667 1.00 52.23 H new ATOM 0 HD1 TRP B 16 5.077 4.906 -12.506 1.00 50.21 H new ATOM 0 HE1 TRP B 16 6.717 6.266 -13.964 1.00 4.05 H new ATOM 0 HE3 TRP B 16 3.499 3.322 -17.099 1.00 72.01 H new ATOM 0 HZ2 TRP B 16 7.218 6.611 -16.704 1.00 40.45 H new ATOM 0 HZ3 TRP B 16 4.605 4.223 -19.096 1.00 61.55 H new ATOM 0 HH2 TRP B 16 6.435 5.850 -18.905 1.00 31.31 H new ATOM 1520 N GLU B 17 0.817 3.449 -16.073 1.00 13.03 N ATOM 1521 CA GLU B 17 0.300 3.750 -17.437 1.00 12.13 C ATOM 1522 C GLU B 17 -0.935 4.683 -17.411 1.00 34.45 C ATOM 1523 O GLU B 17 -1.166 5.442 -18.363 1.00 43.22 O ATOM 1524 CB GLU B 17 -0.024 2.444 -18.219 1.00 33.32 C ATOM 1525 CG GLU B 17 1.216 1.635 -18.682 1.00 11.42 C ATOM 1526 CD GLU B 17 2.157 2.380 -19.660 1.00 5.21 C ATOM 1527 OE1 GLU B 17 1.692 3.241 -20.443 1.00 32.02 O ATOM 1528 OE2 GLU B 17 3.370 2.089 -19.669 1.00 14.03 O ATOM 0 H GLU B 17 0.754 2.463 -15.820 1.00 13.03 H new ATOM 0 HA GLU B 17 1.097 4.281 -17.957 1.00 12.13 H new ATOM 0 HB2 GLU B 17 -0.642 1.805 -17.589 1.00 33.32 H new ATOM 0 HB3 GLU B 17 -0.620 2.701 -19.095 1.00 33.32 H new ATOM 0 HG2 GLU B 17 1.789 1.343 -17.802 1.00 11.42 H new ATOM 0 HG3 GLU B 17 0.874 0.717 -19.159 1.00 11.42 H new ATOM 1535 N ALA B 18 -1.721 4.615 -16.323 1.00 52.54 N ATOM 1536 CA ALA B 18 -2.839 5.551 -16.080 1.00 63.23 C ATOM 1537 C ALA B 18 -2.309 6.992 -15.863 1.00 33.32 C ATOM 1538 O ALA B 18 -2.870 7.960 -16.383 1.00 35.23 O ATOM 1539 CB ALA B 18 -3.664 5.080 -14.875 1.00 52.43 C ATOM 0 H ALA B 18 -1.603 3.916 -15.590 1.00 52.54 H new ATOM 0 HA ALA B 18 -3.485 5.564 -16.958 1.00 63.23 H new ATOM 0 HB1 ALA B 18 -4.486 5.775 -14.703 1.00 52.43 H new ATOM 0 HB2 ALA B 18 -4.065 4.086 -15.075 1.00 52.43 H new ATOM 0 HB3 ALA B 18 -3.028 5.044 -13.991 1.00 52.43 H new ATOM 1545 N LEU B 19 -1.200 7.104 -15.110 1.00 62.21 N ATOM 1546 CA LEU B 19 -0.497 8.387 -14.869 1.00 71.44 C ATOM 1547 C LEU B 19 0.410 8.802 -16.059 1.00 15.32 C ATOM 1548 O LEU B 19 0.850 9.957 -16.130 1.00 10.25 O ATOM 1549 CB LEU B 19 0.355 8.273 -13.580 1.00 21.51 C ATOM 1550 CG LEU B 19 -0.433 8.158 -12.252 1.00 1.12 C ATOM 1551 CD1 LEU B 19 0.511 7.912 -11.052 1.00 22.10 C ATOM 1552 CD2 LEU B 19 -1.318 9.408 -12.040 1.00 64.31 C ATOM 0 H LEU B 19 -0.761 6.308 -14.648 1.00 62.21 H new ATOM 0 HA LEU B 19 -1.257 9.160 -14.757 1.00 71.44 H new ATOM 0 HB2 LEU B 19 1.002 7.401 -13.672 1.00 21.51 H new ATOM 0 HB3 LEU B 19 1.004 9.146 -13.519 1.00 21.51 H new ATOM 0 HG LEU B 19 -1.089 7.290 -12.318 1.00 1.12 H new ATOM 0 HD11 LEU B 19 -0.076 7.837 -10.137 1.00 22.10 H new ATOM 0 HD12 LEU B 19 1.062 6.985 -11.207 1.00 22.10 H new ATOM 0 HD13 LEU B 19 1.213 8.741 -10.965 1.00 22.10 H new ATOM 0 HD21 LEU B 19 -1.865 9.312 -11.102 1.00 64.31 H new ATOM 0 HD22 LEU B 19 -0.689 10.297 -12.003 1.00 64.31 H new ATOM 0 HD23 LEU B 19 -2.025 9.498 -12.865 1.00 64.31 H new ATOM 1564 N ASN B 20 0.699 7.856 -16.970 1.00 45.05 N ATOM 1565 CA ASN B 20 1.567 8.103 -18.135 1.00 24.21 C ATOM 1566 C ASN B 20 0.848 9.015 -19.158 1.00 43.44 C ATOM 1567 O ASN B 20 -0.259 8.705 -19.611 1.00 74.40 O ATOM 1568 CB ASN B 20 1.992 6.760 -18.780 1.00 43.42 C ATOM 1569 CG ASN B 20 2.942 6.920 -19.964 1.00 54.23 C ATOM 1570 OD1 ASN B 20 3.743 7.846 -20.012 1.00 2.34 O ATOM 1571 ND2 ASN B 20 2.866 6.021 -20.920 1.00 31.03 N ATOM 0 H ASN B 20 0.339 6.903 -16.920 1.00 45.05 H new ATOM 0 HA ASN B 20 2.469 8.618 -17.803 1.00 24.21 H new ATOM 0 HB2 ASN B 20 2.471 6.139 -18.023 1.00 43.42 H new ATOM 0 HB3 ASN B 20 1.100 6.228 -19.111 1.00 43.42 H new ATOM 0 HD21 ASN B 20 3.484 6.083 -21.729 1.00 31.03 H new ATOM 0 HD22 ASN B 20 2.189 5.261 -20.853 1.00 31.03 H new ATOM 1578 N GLY B 21 1.494 10.143 -19.496 1.00 1.44 N ATOM 1579 CA GLY B 21 0.901 11.169 -20.369 1.00 51.40 C ATOM 1580 C GLY B 21 0.154 12.273 -19.602 1.00 43.44 C ATOM 1581 O GLY B 21 -0.354 13.217 -20.211 1.00 1.24 O ATOM 0 H GLY B 21 2.435 10.368 -19.174 1.00 1.44 H new ATOM 0 HA2 GLY B 21 1.690 11.624 -20.968 1.00 51.40 H new ATOM 0 HA3 GLY B 21 0.211 10.689 -21.063 1.00 51.40 H new ATOM 1585 N THR B 22 0.086 12.162 -18.254 1.00 63.44 N ATOM 1586 CA THR B 22 -0.568 13.181 -17.384 1.00 3.42 C ATOM 1587 C THR B 22 0.438 13.748 -16.360 1.00 11.21 C ATOM 1588 O THR B 22 1.490 13.147 -16.102 1.00 65.04 O ATOM 1589 CB THR B 22 -1.813 12.616 -16.599 1.00 15.02 C ATOM 1590 OG1 THR B 22 -1.404 11.761 -15.521 1.00 31.15 O ATOM 1591 CG2 THR B 22 -2.773 11.842 -17.515 1.00 64.11 C ATOM 0 H THR B 22 0.477 11.374 -17.739 1.00 63.44 H new ATOM 0 HA THR B 22 -0.918 13.965 -18.056 1.00 3.42 H new ATOM 0 HB THR B 22 -2.339 13.482 -16.198 1.00 15.02 H new ATOM 0 HG1 THR B 22 -0.656 11.200 -15.814 1.00 31.15 H new ATOM 0 HG21 THR B 22 -3.615 11.472 -16.930 1.00 64.11 H new ATOM 0 HG22 THR B 22 -3.139 12.503 -18.300 1.00 64.11 H new ATOM 0 HG23 THR B 22 -2.247 11.001 -17.966 1.00 64.11 H new ATOM 1599 N GLU B 23 0.094 14.902 -15.770 1.00 41.12 N ATOM 1600 CA GLU B 23 0.901 15.533 -14.698 1.00 35.25 C ATOM 1601 C GLU B 23 0.231 15.347 -13.308 1.00 73.11 C ATOM 1602 O GLU B 23 0.655 15.965 -12.322 1.00 13.44 O ATOM 1603 CB GLU B 23 1.114 17.038 -15.008 1.00 75.54 C ATOM 1604 CG GLU B 23 -0.174 17.881 -15.054 1.00 34.14 C ATOM 1605 CD GLU B 23 0.116 19.379 -15.232 1.00 50.11 C ATOM 1606 OE1 GLU B 23 0.511 20.036 -14.243 1.00 22.40 O ATOM 1607 OE2 GLU B 23 -0.024 19.911 -16.353 1.00 51.52 O ATOM 0 H GLU B 23 -0.745 15.427 -16.016 1.00 41.12 H new ATOM 0 HA GLU B 23 1.873 15.040 -14.665 1.00 35.25 H new ATOM 0 HB2 GLU B 23 1.779 17.458 -14.254 1.00 75.54 H new ATOM 0 HB3 GLU B 23 1.624 17.127 -15.967 1.00 75.54 H new ATOM 0 HG2 GLU B 23 -0.803 17.535 -15.874 1.00 34.14 H new ATOM 0 HG3 GLU B 23 -0.738 17.729 -14.134 1.00 34.14 H new ATOM 1614 N GLY B 24 -0.808 14.485 -13.236 1.00 62.44 N ATOM 1615 CA GLY B 24 -1.500 14.203 -11.972 1.00 53.15 C ATOM 1616 C GLY B 24 -2.933 13.692 -12.139 1.00 44.24 C ATOM 1617 O GLY B 24 -3.739 14.308 -12.842 1.00 22.50 O ATOM 0 H GLY B 24 -1.180 13.977 -14.039 1.00 62.44 H new ATOM 0 HA2 GLY B 24 -0.926 13.463 -11.414 1.00 53.15 H new ATOM 0 HA3 GLY B 24 -1.519 15.112 -11.371 1.00 53.15 H new ATOM 1621 N LEU B 25 -3.241 12.558 -11.481 1.00 72.53 N ATOM 1622 CA LEU B 25 -4.612 12.013 -11.348 1.00 63.31 C ATOM 1623 C LEU B 25 -4.875 11.622 -9.873 1.00 0.40 C ATOM 1624 O LEU B 25 -3.939 11.485 -9.080 1.00 2.14 O ATOM 1625 CB LEU B 25 -4.809 10.757 -12.251 1.00 54.11 C ATOM 1626 CG LEU B 25 -4.721 10.975 -13.799 1.00 65.44 C ATOM 1627 CD1 LEU B 25 -4.852 9.635 -14.557 1.00 5.23 C ATOM 1628 CD2 LEU B 25 -5.774 11.995 -14.288 1.00 42.51 C ATOM 0 H LEU B 25 -2.536 11.984 -11.019 1.00 72.53 H new ATOM 0 HA LEU B 25 -5.315 12.784 -11.665 1.00 63.31 H new ATOM 0 HB2 LEU B 25 -4.060 10.017 -11.970 1.00 54.11 H new ATOM 0 HB3 LEU B 25 -5.784 10.326 -12.024 1.00 54.11 H new ATOM 0 HG LEU B 25 -3.737 11.390 -14.016 1.00 65.44 H new ATOM 0 HD11 LEU B 25 -4.787 9.816 -15.630 1.00 5.23 H new ATOM 0 HD12 LEU B 25 -4.048 8.965 -14.253 1.00 5.23 H new ATOM 0 HD13 LEU B 25 -5.813 9.177 -14.324 1.00 5.23 H new ATOM 0 HD21 LEU B 25 -5.684 12.122 -15.367 1.00 42.51 H new ATOM 0 HD22 LEU B 25 -6.773 11.631 -14.047 1.00 42.51 H new ATOM 0 HD23 LEU B 25 -5.609 12.953 -13.795 1.00 42.51 H new ATOM 1640 N THR B 26 -6.158 11.479 -9.504 1.00 71.33 N ATOM 1641 CA THR B 26 -6.543 10.823 -8.223 1.00 43.42 C ATOM 1642 C THR B 26 -6.599 9.290 -8.403 1.00 21.31 C ATOM 1643 O THR B 26 -6.527 8.781 -9.532 1.00 61.32 O ATOM 1644 CB THR B 26 -7.935 11.312 -7.683 1.00 33.24 C ATOM 1645 OG1 THR B 26 -9.007 10.782 -8.486 1.00 21.50 O ATOM 1646 CG2 THR B 26 -8.023 12.850 -7.649 1.00 71.41 C ATOM 0 H THR B 26 -6.948 11.803 -10.063 1.00 71.33 H new ATOM 0 HA THR B 26 -5.780 11.100 -7.496 1.00 43.42 H new ATOM 0 HB THR B 26 -8.033 10.942 -6.663 1.00 33.24 H new ATOM 0 HG1 THR B 26 -9.866 11.096 -8.134 1.00 21.50 H new ATOM 0 HG21 THR B 26 -9.000 13.150 -7.270 1.00 71.41 H new ATOM 0 HG22 THR B 26 -7.244 13.245 -6.997 1.00 71.41 H new ATOM 0 HG23 THR B 26 -7.888 13.245 -8.656 1.00 71.41 H new ATOM 1654 N GLN B 27 -6.752 8.566 -7.280 1.00 4.04 N ATOM 1655 CA GLN B 27 -6.942 7.096 -7.282 1.00 74.31 C ATOM 1656 C GLN B 27 -8.170 6.665 -8.134 1.00 13.43 C ATOM 1657 O GLN B 27 -8.131 5.647 -8.822 1.00 62.43 O ATOM 1658 CB GLN B 27 -7.073 6.578 -5.823 1.00 34.20 C ATOM 1659 CG GLN B 27 -8.241 7.163 -4.998 1.00 50.02 C ATOM 1660 CD GLN B 27 -8.252 6.657 -3.552 1.00 3.32 C ATOM 1661 OE1 GLN B 27 -7.658 7.261 -2.665 1.00 33.25 O ATOM 1662 NE2 GLN B 27 -8.907 5.539 -3.308 1.00 42.34 N ATOM 0 H GLN B 27 -6.748 8.977 -6.347 1.00 4.04 H new ATOM 0 HA GLN B 27 -6.063 6.647 -7.745 1.00 74.31 H new ATOM 0 HB2 GLN B 27 -7.182 5.494 -5.852 1.00 34.20 H new ATOM 0 HB3 GLN B 27 -6.142 6.791 -5.298 1.00 34.20 H new ATOM 0 HG2 GLN B 27 -8.172 8.251 -4.998 1.00 50.02 H new ATOM 0 HG3 GLN B 27 -9.185 6.904 -5.477 1.00 50.02 H new ATOM 0 HE21 GLN B 27 -9.393 5.057 -4.064 1.00 42.34 H new ATOM 0 HE22 GLN B 27 -8.928 5.156 -2.363 1.00 42.34 H new ATOM 1671 N LYS B 28 -9.231 7.490 -8.085 1.00 52.13 N ATOM 1672 CA LYS B 28 -10.505 7.262 -8.806 1.00 71.40 C ATOM 1673 C LYS B 28 -10.334 7.375 -10.344 1.00 62.20 C ATOM 1674 O LYS B 28 -10.822 6.516 -11.081 1.00 32.31 O ATOM 1675 CB LYS B 28 -11.562 8.269 -8.281 1.00 33.11 C ATOM 1676 CG LYS B 28 -11.826 8.142 -6.762 1.00 4.31 C ATOM 1677 CD LYS B 28 -12.632 9.327 -6.186 1.00 32.21 C ATOM 1678 CE LYS B 28 -12.820 9.225 -4.657 1.00 62.04 C ATOM 1679 NZ LYS B 28 -13.429 10.454 -4.091 1.00 42.41 N ATOM 0 H LYS B 28 -9.232 8.349 -7.535 1.00 52.13 H new ATOM 0 HA LYS B 28 -10.841 6.243 -8.613 1.00 71.40 H new ATOM 0 HB2 LYS B 28 -11.229 9.283 -8.501 1.00 33.11 H new ATOM 0 HB3 LYS B 28 -12.497 8.117 -8.819 1.00 33.11 H new ATOM 0 HG2 LYS B 28 -12.366 7.215 -6.569 1.00 4.31 H new ATOM 0 HG3 LYS B 28 -10.873 8.070 -6.238 1.00 4.31 H new ATOM 0 HD2 LYS B 28 -12.121 10.260 -6.425 1.00 32.21 H new ATOM 0 HD3 LYS B 28 -13.609 9.366 -6.667 1.00 32.21 H new ATOM 0 HE2 LYS B 28 -13.451 8.367 -4.425 1.00 62.04 H new ATOM 0 HE3 LYS B 28 -11.854 9.047 -4.184 1.00 62.04 H new ATOM 0 HZ1 LYS B 28 -13.538 10.345 -3.062 1.00 42.41 H new ATOM 0 HZ2 LYS B 28 -12.814 11.269 -4.290 1.00 42.41 H new ATOM 0 HZ3 LYS B 28 -14.362 10.610 -4.524 1.00 42.41 H new ATOM 1693 N GLN B 29 -9.621 8.429 -10.808 1.00 72.33 N ATOM 1694 CA GLN B 29 -9.308 8.628 -12.258 1.00 70.34 C ATOM 1695 C GLN B 29 -8.430 7.482 -12.824 1.00 63.11 C ATOM 1696 O GLN B 29 -8.584 7.085 -13.989 1.00 50.34 O ATOM 1697 CB GLN B 29 -8.627 10.013 -12.512 1.00 54.50 C ATOM 1698 CG GLN B 29 -9.598 11.215 -12.620 1.00 42.21 C ATOM 1699 CD GLN B 29 -10.336 11.557 -11.326 1.00 35.40 C ATOM 1700 OE1 GLN B 29 -11.394 11.017 -11.033 1.00 33.32 O ATOM 1701 NE2 GLN B 29 -9.799 12.484 -10.559 1.00 42.30 N ATOM 0 H GLN B 29 -9.247 9.161 -10.203 1.00 72.33 H new ATOM 0 HA GLN B 29 -10.260 8.612 -12.788 1.00 70.34 H new ATOM 0 HB2 GLN B 29 -7.922 10.207 -11.703 1.00 54.50 H new ATOM 0 HB3 GLN B 29 -8.047 9.951 -13.433 1.00 54.50 H new ATOM 0 HG2 GLN B 29 -9.036 12.091 -12.944 1.00 42.21 H new ATOM 0 HG3 GLN B 29 -10.333 11.002 -13.396 1.00 42.21 H new ATOM 0 HE21 GLN B 29 -8.916 12.918 -10.826 1.00 42.30 H new ATOM 0 HE22 GLN B 29 -10.266 12.767 -9.698 1.00 42.30 H new ATOM 1710 N ILE B 30 -7.511 6.971 -11.992 1.00 33.41 N ATOM 1711 CA ILE B 30 -6.686 5.793 -12.332 1.00 41.41 C ATOM 1712 C ILE B 30 -7.551 4.518 -12.459 1.00 22.04 C ATOM 1713 O ILE B 30 -7.391 3.761 -13.414 1.00 35.12 O ATOM 1714 CB ILE B 30 -5.534 5.594 -11.278 1.00 62.42 C ATOM 1715 CG1 ILE B 30 -4.500 6.760 -11.405 1.00 5.43 C ATOM 1716 CG2 ILE B 30 -4.848 4.206 -11.392 1.00 43.01 C ATOM 1717 CD1 ILE B 30 -3.268 6.612 -10.544 1.00 54.13 C ATOM 0 H ILE B 30 -7.316 7.357 -11.068 1.00 33.41 H new ATOM 0 HA ILE B 30 -6.227 5.976 -13.304 1.00 41.41 H new ATOM 0 HB ILE B 30 -5.982 5.620 -10.284 1.00 62.42 H new ATOM 0 HG12 ILE B 30 -4.190 6.840 -12.447 1.00 5.43 H new ATOM 0 HG13 ILE B 30 -4.996 7.696 -11.147 1.00 5.43 H new ATOM 0 HG21 ILE B 30 -4.062 4.126 -10.641 1.00 43.01 H new ATOM 0 HG22 ILE B 30 -5.586 3.421 -11.230 1.00 43.01 H new ATOM 0 HG23 ILE B 30 -4.413 4.096 -12.385 1.00 43.01 H new ATOM 0 HD11 ILE B 30 -2.610 7.467 -10.700 1.00 54.13 H new ATOM 0 HD12 ILE B 30 -3.561 6.565 -9.495 1.00 54.13 H new ATOM 0 HD13 ILE B 30 -2.743 5.696 -10.815 1.00 54.13 H new ATOM 1729 N LYS B 31 -8.482 4.310 -11.505 1.00 73.12 N ATOM 1730 CA LYS B 31 -9.424 3.156 -11.530 1.00 54.44 C ATOM 1731 C LYS B 31 -10.301 3.145 -12.807 1.00 21.23 C ATOM 1732 O LYS B 31 -10.753 2.088 -13.232 1.00 32.03 O ATOM 1733 CB LYS B 31 -10.331 3.151 -10.272 1.00 73.01 C ATOM 1734 CG LYS B 31 -9.607 2.820 -8.947 1.00 74.54 C ATOM 1735 CD LYS B 31 -10.560 2.890 -7.730 1.00 41.41 C ATOM 1736 CE LYS B 31 -11.726 1.885 -7.825 1.00 51.04 C ATOM 1737 NZ LYS B 31 -12.715 2.064 -6.738 1.00 63.13 N ATOM 0 H LYS B 31 -8.607 4.926 -10.701 1.00 73.12 H new ATOM 0 HA LYS B 31 -8.812 2.254 -11.534 1.00 54.44 H new ATOM 0 HB2 LYS B 31 -10.801 4.130 -10.177 1.00 73.01 H new ATOM 0 HB3 LYS B 31 -11.131 2.426 -10.422 1.00 73.01 H new ATOM 0 HG2 LYS B 31 -9.174 1.822 -9.011 1.00 74.54 H new ATOM 0 HG3 LYS B 31 -8.782 3.517 -8.801 1.00 74.54 H new ATOM 0 HD2 LYS B 31 -9.993 2.697 -6.819 1.00 41.41 H new ATOM 0 HD3 LYS B 31 -10.962 3.900 -7.647 1.00 41.41 H new ATOM 0 HE2 LYS B 31 -12.224 2.000 -8.788 1.00 51.04 H new ATOM 0 HE3 LYS B 31 -11.331 0.870 -7.790 1.00 51.04 H new ATOM 0 HZ1 LYS B 31 -13.644 1.718 -7.053 1.00 63.13 H new ATOM 0 HZ2 LYS B 31 -12.412 1.527 -5.901 1.00 63.13 H new ATOM 0 HZ3 LYS B 31 -12.785 3.073 -6.495 1.00 63.13 H new ATOM 1751 N LYS B 32 -10.558 4.332 -13.387 1.00 55.52 N ATOM 1752 CA LYS B 32 -11.274 4.455 -14.673 1.00 41.33 C ATOM 1753 C LYS B 32 -10.404 3.959 -15.859 1.00 52.25 C ATOM 1754 O LYS B 32 -10.870 3.190 -16.700 1.00 12.53 O ATOM 1755 CB LYS B 32 -11.721 5.924 -14.915 1.00 74.10 C ATOM 1756 CG LYS B 32 -12.586 6.551 -13.793 1.00 32.44 C ATOM 1757 CD LYS B 32 -13.832 5.714 -13.405 1.00 53.44 C ATOM 1758 CE LYS B 32 -14.766 5.415 -14.592 1.00 62.14 C ATOM 1759 NZ LYS B 32 -15.205 6.650 -15.298 1.00 41.12 N ATOM 0 H LYS B 32 -10.279 5.226 -12.983 1.00 55.52 H new ATOM 0 HA LYS B 32 -12.159 3.822 -14.616 1.00 41.33 H new ATOM 0 HB2 LYS B 32 -10.831 6.539 -15.050 1.00 74.10 H new ATOM 0 HB3 LYS B 32 -12.282 5.966 -15.849 1.00 74.10 H new ATOM 0 HG2 LYS B 32 -11.966 6.690 -12.907 1.00 32.44 H new ATOM 0 HG3 LYS B 32 -12.913 7.541 -14.112 1.00 32.44 H new ATOM 0 HD2 LYS B 32 -13.504 4.772 -12.965 1.00 53.44 H new ATOM 0 HD3 LYS B 32 -14.393 6.247 -12.637 1.00 53.44 H new ATOM 0 HE2 LYS B 32 -14.254 4.760 -15.297 1.00 62.14 H new ATOM 0 HE3 LYS B 32 -15.642 4.875 -14.233 1.00 62.14 H new ATOM 0 HZ1 LYS B 32 -15.858 6.397 -16.067 1.00 41.12 H new ATOM 0 HZ2 LYS B 32 -15.688 7.280 -14.627 1.00 41.12 H new ATOM 0 HZ3 LYS B 32 -14.376 7.137 -15.694 1.00 41.12 H new ATOM 1773 N ALA B 33 -9.134 4.408 -15.898 1.00 10.25 N ATOM 1774 CA ALA B 33 -8.176 4.059 -16.982 1.00 72.02 C ATOM 1775 C ALA B 33 -7.731 2.572 -16.926 1.00 15.15 C ATOM 1776 O ALA B 33 -7.416 1.963 -17.956 1.00 65.44 O ATOM 1777 CB ALA B 33 -6.952 4.991 -16.909 1.00 72.32 C ATOM 0 H ALA B 33 -8.738 5.021 -15.185 1.00 10.25 H new ATOM 0 HA ALA B 33 -8.689 4.197 -17.934 1.00 72.02 H new ATOM 0 HB1 ALA B 33 -6.251 4.734 -17.703 1.00 72.32 H new ATOM 0 HB2 ALA B 33 -7.274 6.025 -17.030 1.00 72.32 H new ATOM 0 HB3 ALA B 33 -6.463 4.874 -15.942 1.00 72.32 H new ATOM 1783 N THR B 34 -7.699 2.013 -15.707 1.00 34.34 N ATOM 1784 CA THR B 34 -7.284 0.609 -15.444 1.00 45.21 C ATOM 1785 C THR B 34 -8.493 -0.358 -15.380 1.00 64.14 C ATOM 1786 O THR B 34 -8.325 -1.573 -15.534 1.00 23.22 O ATOM 1787 CB THR B 34 -6.503 0.513 -14.094 1.00 15.04 C ATOM 1788 OG1 THR B 34 -7.350 0.935 -13.006 1.00 25.21 O ATOM 1789 CG2 THR B 34 -5.222 1.369 -14.108 1.00 2.13 C ATOM 0 H THR B 34 -7.961 2.520 -14.862 1.00 34.34 H new ATOM 0 HA THR B 34 -6.645 0.314 -16.276 1.00 45.21 H new ATOM 0 HB THR B 34 -6.210 -0.528 -13.958 1.00 15.04 H new ATOM 0 HG1 THR B 34 -7.423 1.912 -13.009 1.00 25.21 H new ATOM 0 HG21 THR B 34 -4.710 1.273 -13.151 1.00 2.13 H new ATOM 0 HG22 THR B 34 -4.564 1.027 -14.907 1.00 2.13 H new ATOM 0 HG23 THR B 34 -5.484 2.414 -14.276 1.00 2.13 H new ATOM 1797 N LYS B 35 -9.692 0.205 -15.105 1.00 1.20 N ATOM 1798 CA LYS B 35 -10.964 -0.548 -14.918 1.00 72.11 C ATOM 1799 C LYS B 35 -10.936 -1.432 -13.639 1.00 44.42 C ATOM 1800 O LYS B 35 -11.632 -2.455 -13.553 1.00 31.24 O ATOM 1801 CB LYS B 35 -11.361 -1.352 -16.200 1.00 34.41 C ATOM 1802 CG LYS B 35 -11.643 -0.468 -17.440 1.00 60.43 C ATOM 1803 CD LYS B 35 -12.820 0.518 -17.221 1.00 52.03 C ATOM 1804 CE LYS B 35 -13.057 1.437 -18.431 1.00 32.44 C ATOM 1805 NZ LYS B 35 -13.418 0.676 -19.656 1.00 74.14 N ATOM 0 H LYS B 35 -9.810 1.213 -15.004 1.00 1.20 H new ATOM 0 HA LYS B 35 -11.752 0.188 -14.762 1.00 72.11 H new ATOM 0 HB2 LYS B 35 -10.560 -2.051 -16.440 1.00 34.41 H new ATOM 0 HB3 LYS B 35 -12.248 -1.947 -15.982 1.00 34.41 H new ATOM 0 HG2 LYS B 35 -10.744 0.096 -17.690 1.00 60.43 H new ATOM 0 HG3 LYS B 35 -11.866 -1.108 -18.294 1.00 60.43 H new ATOM 0 HD2 LYS B 35 -13.729 -0.047 -17.016 1.00 52.03 H new ATOM 0 HD3 LYS B 35 -12.619 1.128 -16.340 1.00 52.03 H new ATOM 0 HE2 LYS B 35 -13.853 2.144 -18.197 1.00 32.44 H new ATOM 0 HE3 LYS B 35 -12.157 2.022 -18.622 1.00 32.44 H new ATOM 0 HZ1 LYS B 35 -13.634 1.340 -20.426 1.00 74.14 H new ATOM 0 HZ2 LYS B 35 -12.621 0.069 -19.935 1.00 74.14 H new ATOM 0 HZ3 LYS B 35 -14.252 0.085 -19.464 1.00 74.14 H new ATOM 1819 N LEU B 36 -10.144 -0.995 -12.630 1.00 25.43 N ATOM 1820 CA LEU B 36 -10.128 -1.631 -11.292 1.00 2.32 C ATOM 1821 C LEU B 36 -11.426 -1.285 -10.534 1.00 35.05 C ATOM 1822 O LEU B 36 -11.804 -0.111 -10.433 1.00 70.22 O ATOM 1823 CB LEU B 36 -8.888 -1.201 -10.455 1.00 24.31 C ATOM 1824 CG LEU B 36 -7.499 -1.699 -10.971 1.00 53.32 C ATOM 1825 CD1 LEU B 36 -6.361 -1.204 -10.055 1.00 61.42 C ATOM 1826 CD2 LEU B 36 -7.472 -3.241 -11.132 1.00 63.14 C ATOM 0 H LEU B 36 -9.507 -0.203 -12.719 1.00 25.43 H new ATOM 0 HA LEU B 36 -10.063 -2.709 -11.438 1.00 2.32 H new ATOM 0 HB2 LEU B 36 -8.866 -0.112 -10.410 1.00 24.31 H new ATOM 0 HB3 LEU B 36 -9.023 -1.560 -9.435 1.00 24.31 H new ATOM 0 HG LEU B 36 -7.338 -1.271 -11.960 1.00 53.32 H new ATOM 0 HD11 LEU B 36 -5.405 -1.564 -10.435 1.00 61.42 H new ATOM 0 HD12 LEU B 36 -6.357 -0.114 -10.036 1.00 61.42 H new ATOM 0 HD13 LEU B 36 -6.516 -1.584 -9.045 1.00 61.42 H new ATOM 0 HD21 LEU B 36 -6.491 -3.552 -11.492 1.00 63.14 H new ATOM 0 HD22 LEU B 36 -7.671 -3.711 -10.169 1.00 63.14 H new ATOM 0 HD23 LEU B 36 -8.235 -3.545 -11.848 1.00 63.14 H new ATOM 1838 N LYS B 37 -12.102 -2.319 -10.019 1.00 60.34 N ATOM 1839 CA LYS B 37 -13.384 -2.180 -9.299 1.00 34.44 C ATOM 1840 C LYS B 37 -13.126 -1.729 -7.840 1.00 13.13 C ATOM 1841 O LYS B 37 -13.774 -0.808 -7.323 1.00 11.12 O ATOM 1842 CB LYS B 37 -14.146 -3.540 -9.326 1.00 14.15 C ATOM 1843 CG LYS B 37 -14.237 -4.206 -10.723 1.00 75.10 C ATOM 1844 CD LYS B 37 -14.982 -3.345 -11.775 1.00 44.24 C ATOM 1845 CE LYS B 37 -15.039 -4.028 -13.155 1.00 24.10 C ATOM 1846 NZ LYS B 37 -15.697 -5.365 -13.089 1.00 22.42 N ATOM 0 H LYS B 37 -11.777 -3.283 -10.088 1.00 60.34 H new ATOM 0 HA LYS B 37 -13.996 -1.423 -9.789 1.00 34.44 H new ATOM 0 HB2 LYS B 37 -13.653 -4.230 -8.641 1.00 14.15 H new ATOM 0 HB3 LYS B 37 -15.156 -3.382 -8.948 1.00 14.15 H new ATOM 0 HG2 LYS B 37 -13.229 -4.413 -11.083 1.00 75.10 H new ATOM 0 HG3 LYS B 37 -14.745 -5.166 -10.626 1.00 75.10 H new ATOM 0 HD2 LYS B 37 -15.996 -3.148 -11.428 1.00 44.24 H new ATOM 0 HD3 LYS B 37 -14.484 -2.380 -11.870 1.00 44.24 H new ATOM 0 HE2 LYS B 37 -15.582 -3.391 -13.853 1.00 24.10 H new ATOM 0 HE3 LYS B 37 -14.028 -4.140 -13.546 1.00 24.10 H new ATOM 0 HZ1 LYS B 37 -15.868 -5.716 -14.053 1.00 22.42 H new ATOM 0 HZ2 LYS B 37 -15.080 -6.031 -12.582 1.00 22.42 H new ATOM 0 HZ3 LYS B 37 -16.603 -5.282 -12.585 1.00 22.42 H new ATOM 1860 N ALA B 38 -12.139 -2.385 -7.203 1.00 10.01 N ATOM 1861 CA ALA B 38 -11.757 -2.133 -5.799 1.00 41.25 C ATOM 1862 C ALA B 38 -10.552 -1.169 -5.695 1.00 33.34 C ATOM 1863 O ALA B 38 -9.621 -1.217 -6.509 1.00 51.41 O ATOM 1864 CB ALA B 38 -11.436 -3.468 -5.097 1.00 54.43 C ATOM 0 H ALA B 38 -11.579 -3.111 -7.650 1.00 10.01 H new ATOM 0 HA ALA B 38 -12.601 -1.654 -5.303 1.00 41.25 H new ATOM 0 HB1 ALA B 38 -11.155 -3.276 -4.062 1.00 54.43 H new ATOM 0 HB2 ALA B 38 -12.315 -4.112 -5.121 1.00 54.43 H new ATOM 0 HB3 ALA B 38 -10.611 -3.961 -5.612 1.00 54.43 H new ATOM 1870 N ASP B 39 -10.597 -0.294 -4.675 1.00 12.50 N ATOM 1871 CA ASP B 39 -9.466 0.581 -4.276 1.00 0.14 C ATOM 1872 C ASP B 39 -8.317 -0.252 -3.661 1.00 15.11 C ATOM 1873 O ASP B 39 -7.161 0.164 -3.673 1.00 32.42 O ATOM 1874 CB ASP B 39 -9.959 1.644 -3.264 1.00 72.25 C ATOM 1875 CG ASP B 39 -11.113 2.482 -3.828 1.00 52.20 C ATOM 1876 OD1 ASP B 39 -12.284 2.037 -3.744 1.00 3.42 O ATOM 1877 OD2 ASP B 39 -10.859 3.560 -4.408 1.00 64.21 O ATOM 0 H ASP B 39 -11.426 -0.169 -4.094 1.00 12.50 H new ATOM 0 HA ASP B 39 -9.083 1.082 -5.165 1.00 0.14 H new ATOM 0 HB2 ASP B 39 -10.284 1.150 -2.348 1.00 72.25 H new ATOM 0 HB3 ASP B 39 -9.131 2.301 -2.996 1.00 72.25 H new ATOM 1882 N LYS B 40 -8.687 -1.427 -3.117 1.00 30.35 N ATOM 1883 CA LYS B 40 -7.758 -2.434 -2.540 1.00 12.11 C ATOM 1884 C LYS B 40 -6.623 -2.831 -3.521 1.00 2.53 C ATOM 1885 O LYS B 40 -5.461 -2.951 -3.120 1.00 14.20 O ATOM 1886 CB LYS B 40 -8.579 -3.694 -2.147 1.00 63.42 C ATOM 1887 CG LYS B 40 -9.677 -3.437 -1.087 1.00 5.21 C ATOM 1888 CD LYS B 40 -9.108 -3.232 0.336 1.00 54.42 C ATOM 1889 CE LYS B 40 -8.444 -4.505 0.899 1.00 10.32 C ATOM 1890 NZ LYS B 40 -9.399 -5.649 0.966 1.00 64.31 N ATOM 0 H LYS B 40 -9.664 -1.715 -3.062 1.00 30.35 H new ATOM 0 HA LYS B 40 -7.278 -1.991 -1.667 1.00 12.11 H new ATOM 0 HB2 LYS B 40 -9.045 -4.103 -3.043 1.00 63.42 H new ATOM 0 HB3 LYS B 40 -7.896 -4.454 -1.768 1.00 63.42 H new ATOM 0 HG2 LYS B 40 -10.251 -2.556 -1.373 1.00 5.21 H new ATOM 0 HG3 LYS B 40 -10.369 -4.279 -1.078 1.00 5.21 H new ATOM 0 HD2 LYS B 40 -8.377 -2.423 0.318 1.00 54.42 H new ATOM 0 HD3 LYS B 40 -9.912 -2.921 1.003 1.00 54.42 H new ATOM 0 HE2 LYS B 40 -7.594 -4.778 0.273 1.00 10.32 H new ATOM 0 HE3 LYS B 40 -8.053 -4.300 1.896 1.00 10.32 H new ATOM 0 HZ1 LYS B 40 -8.982 -6.417 1.530 1.00 64.31 H new ATOM 0 HZ2 LYS B 40 -10.286 -5.335 1.410 1.00 64.31 H new ATOM 0 HZ3 LYS B 40 -9.596 -5.994 0.005 1.00 64.31 H new ATOM 1904 N ASP B 41 -6.979 -3.007 -4.805 1.00 65.21 N ATOM 1905 CA ASP B 41 -6.013 -3.328 -5.880 1.00 2.54 C ATOM 1906 C ASP B 41 -5.088 -2.122 -6.175 1.00 23.21 C ATOM 1907 O ASP B 41 -3.886 -2.294 -6.428 1.00 41.41 O ATOM 1908 CB ASP B 41 -6.772 -3.752 -7.159 1.00 10.03 C ATOM 1909 CG ASP B 41 -7.529 -5.070 -6.972 1.00 40.32 C ATOM 1910 OD1 ASP B 41 -8.697 -5.039 -6.526 1.00 22.25 O ATOM 1911 OD2 ASP B 41 -6.947 -6.150 -7.259 1.00 62.24 O ATOM 0 H ASP B 41 -7.943 -2.932 -5.131 1.00 65.21 H new ATOM 0 HA ASP B 41 -5.387 -4.155 -5.546 1.00 2.54 H new ATOM 0 HB2 ASP B 41 -7.475 -2.968 -7.439 1.00 10.03 H new ATOM 0 HB3 ASP B 41 -6.065 -3.855 -7.982 1.00 10.03 H new ATOM 1916 N PHE B 42 -5.668 -0.905 -6.120 1.00 73.02 N ATOM 1917 CA PHE B 42 -4.925 0.352 -6.342 1.00 72.52 C ATOM 1918 C PHE B 42 -3.780 0.535 -5.309 1.00 3.22 C ATOM 1919 O PHE B 42 -2.664 0.862 -5.690 1.00 20.31 O ATOM 1920 CB PHE B 42 -5.873 1.590 -6.302 1.00 61.33 C ATOM 1921 CG PHE B 42 -5.122 2.914 -6.426 1.00 24.23 C ATOM 1922 CD1 PHE B 42 -4.655 3.341 -7.663 1.00 44.31 C ATOM 1923 CD2 PHE B 42 -4.828 3.703 -5.305 1.00 61.22 C ATOM 1924 CE1 PHE B 42 -3.937 4.505 -7.783 1.00 3.12 C ATOM 1925 CE2 PHE B 42 -4.098 4.869 -5.431 1.00 5.30 C ATOM 1926 CZ PHE B 42 -3.655 5.270 -6.676 1.00 45.23 C ATOM 0 H PHE B 42 -6.659 -0.767 -5.922 1.00 73.02 H new ATOM 0 HA PHE B 42 -4.484 0.281 -7.336 1.00 72.52 H new ATOM 0 HB2 PHE B 42 -6.599 1.512 -7.111 1.00 61.33 H new ATOM 0 HB3 PHE B 42 -6.435 1.582 -5.368 1.00 61.33 H new ATOM 0 HD1 PHE B 42 -4.860 2.749 -8.543 1.00 44.31 H new ATOM 0 HD2 PHE B 42 -5.177 3.395 -4.330 1.00 61.22 H new ATOM 0 HE1 PHE B 42 -3.591 4.822 -8.755 1.00 3.12 H new ATOM 0 HE2 PHE B 42 -3.874 5.465 -4.559 1.00 5.30 H new ATOM 0 HZ PHE B 42 -3.088 6.183 -6.780 1.00 45.23 H new ATOM 1936 N PHE B 43 -4.091 0.343 -4.010 1.00 15.14 N ATOM 1937 CA PHE B 43 -3.127 0.580 -2.896 1.00 71.22 C ATOM 1938 C PHE B 43 -1.844 -0.292 -3.021 1.00 1.51 C ATOM 1939 O PHE B 43 -0.743 0.159 -2.685 1.00 10.14 O ATOM 1940 CB PHE B 43 -3.819 0.341 -1.522 1.00 1.23 C ATOM 1941 CG PHE B 43 -5.004 1.274 -1.236 1.00 52.41 C ATOM 1942 CD1 PHE B 43 -4.883 2.657 -1.408 1.00 51.10 C ATOM 1943 CD2 PHE B 43 -6.231 0.775 -0.789 1.00 22.23 C ATOM 1944 CE1 PHE B 43 -5.945 3.504 -1.147 1.00 73.52 C ATOM 1945 CE2 PHE B 43 -7.294 1.624 -0.528 1.00 2.34 C ATOM 1946 CZ PHE B 43 -7.150 2.988 -0.708 1.00 14.41 C ATOM 0 H PHE B 43 -5.007 0.022 -3.697 1.00 15.14 H new ATOM 0 HA PHE B 43 -2.810 1.621 -2.962 1.00 71.22 H new ATOM 0 HB2 PHE B 43 -4.167 -0.691 -1.479 1.00 1.23 H new ATOM 0 HB3 PHE B 43 -3.079 0.461 -0.731 1.00 1.23 H new ATOM 0 HD1 PHE B 43 -3.946 3.070 -1.750 1.00 51.10 H new ATOM 0 HD2 PHE B 43 -6.352 -0.288 -0.645 1.00 22.23 H new ATOM 0 HE1 PHE B 43 -5.833 4.569 -1.286 1.00 73.52 H new ATOM 0 HE2 PHE B 43 -8.235 1.221 -0.184 1.00 2.34 H new ATOM 0 HZ PHE B 43 -7.979 3.650 -0.506 1.00 14.41 H new ATOM 1956 N LEU B 44 -2.009 -1.531 -3.524 1.00 30.12 N ATOM 1957 CA LEU B 44 -0.883 -2.467 -3.780 1.00 12.10 C ATOM 1958 C LEU B 44 -0.050 -2.033 -5.020 1.00 62.22 C ATOM 1959 O LEU B 44 1.182 -2.169 -5.025 1.00 21.33 O ATOM 1960 CB LEU B 44 -1.412 -3.933 -3.931 1.00 32.43 C ATOM 1961 CG LEU B 44 -1.678 -4.716 -2.593 1.00 61.13 C ATOM 1962 CD1 LEU B 44 -2.742 -4.035 -1.700 1.00 52.53 C ATOM 1963 CD2 LEU B 44 -2.039 -6.196 -2.872 1.00 13.42 C ATOM 0 H LEU B 44 -2.922 -1.916 -3.766 1.00 30.12 H new ATOM 0 HA LEU B 44 -0.215 -2.434 -2.919 1.00 12.10 H new ATOM 0 HB2 LEU B 44 -2.340 -3.905 -4.502 1.00 32.43 H new ATOM 0 HB3 LEU B 44 -0.691 -4.498 -4.521 1.00 32.43 H new ATOM 0 HG LEU B 44 -0.745 -4.694 -2.030 1.00 61.13 H new ATOM 0 HD11 LEU B 44 -2.883 -4.620 -0.791 1.00 52.53 H new ATOM 0 HD12 LEU B 44 -2.408 -3.031 -1.437 1.00 52.53 H new ATOM 0 HD13 LEU B 44 -3.686 -3.973 -2.242 1.00 52.53 H new ATOM 0 HD21 LEU B 44 -2.217 -6.711 -1.928 1.00 13.42 H new ATOM 0 HD22 LEU B 44 -2.939 -6.242 -3.486 1.00 13.42 H new ATOM 0 HD23 LEU B 44 -1.216 -6.678 -3.399 1.00 13.42 H new ATOM 1975 N GLY B 45 -0.739 -1.506 -6.058 1.00 55.13 N ATOM 1976 CA GLY B 45 -0.069 -0.971 -7.258 1.00 12.44 C ATOM 1977 C GLY B 45 0.766 0.287 -6.962 1.00 3.54 C ATOM 1978 O GLY B 45 1.967 0.321 -7.222 1.00 13.42 O ATOM 0 H GLY B 45 -1.757 -1.441 -6.086 1.00 55.13 H new ATOM 0 HA2 GLY B 45 0.578 -1.740 -7.681 1.00 12.44 H new ATOM 0 HA3 GLY B 45 -0.819 -0.735 -8.013 1.00 12.44 H new ATOM 1982 N LEU B 46 0.112 1.303 -6.363 1.00 70.24 N ATOM 1983 CA LEU B 46 0.741 2.593 -5.971 1.00 65.30 C ATOM 1984 C LEU B 46 1.916 2.396 -4.974 1.00 53.23 C ATOM 1985 O LEU B 46 2.915 3.121 -5.029 1.00 2.01 O ATOM 1986 CB LEU B 46 -0.318 3.539 -5.338 1.00 60.02 C ATOM 1987 CG LEU B 46 0.217 4.920 -4.819 1.00 42.03 C ATOM 1988 CD1 LEU B 46 0.786 5.777 -5.976 1.00 41.50 C ATOM 1989 CD2 LEU B 46 -0.861 5.674 -4.003 1.00 0.32 C ATOM 0 H LEU B 46 -0.880 1.256 -6.133 1.00 70.24 H new ATOM 0 HA LEU B 46 1.143 3.039 -6.880 1.00 65.30 H new ATOM 0 HB2 LEU B 46 -1.096 3.728 -6.078 1.00 60.02 H new ATOM 0 HB3 LEU B 46 -0.790 3.018 -4.505 1.00 60.02 H new ATOM 0 HG LEU B 46 1.045 4.722 -4.138 1.00 42.03 H new ATOM 0 HD11 LEU B 46 1.148 6.727 -5.582 1.00 41.50 H new ATOM 0 HD12 LEU B 46 1.609 5.245 -6.452 1.00 41.50 H new ATOM 0 HD13 LEU B 46 0.002 5.964 -6.710 1.00 41.50 H new ATOM 0 HD21 LEU B 46 -0.457 6.626 -3.659 1.00 0.32 H new ATOM 0 HD22 LEU B 46 -1.732 5.856 -4.632 1.00 0.32 H new ATOM 0 HD23 LEU B 46 -1.154 5.072 -3.143 1.00 0.32 H new ATOM 2001 N GLY B 47 1.775 1.403 -4.081 1.00 71.01 N ATOM 2002 CA GLY B 47 2.823 1.066 -3.097 1.00 73.54 C ATOM 2003 C GLY B 47 4.134 0.631 -3.762 1.00 43.22 C ATOM 2004 O GLY B 47 5.235 0.905 -3.262 1.00 54.40 O ATOM 0 H GLY B 47 0.943 0.816 -4.018 1.00 71.01 H new ATOM 0 HA2 GLY B 47 3.011 1.931 -2.461 1.00 73.54 H new ATOM 0 HA3 GLY B 47 2.465 0.266 -2.449 1.00 73.54 H new ATOM 2008 N TRP B 48 3.992 -0.039 -4.919 1.00 11.43 N ATOM 2009 CA TRP B 48 5.127 -0.481 -5.743 1.00 42.12 C ATOM 2010 C TRP B 48 5.723 0.704 -6.567 1.00 0.21 C ATOM 2011 O TRP B 48 6.924 0.746 -6.854 1.00 64.14 O ATOM 2012 CB TRP B 48 4.690 -1.646 -6.669 1.00 42.34 C ATOM 2013 CG TRP B 48 5.841 -2.525 -7.069 1.00 61.10 C ATOM 2014 CD1 TRP B 48 6.720 -2.340 -8.093 1.00 61.50 C ATOM 2015 CD2 TRP B 48 6.249 -3.716 -6.397 1.00 54.41 C ATOM 2016 NE1 TRP B 48 7.659 -3.336 -8.089 1.00 11.22 N ATOM 2017 CE2 TRP B 48 7.381 -4.202 -7.062 1.00 34.20 C ATOM 2018 CE3 TRP B 48 5.752 -4.412 -5.293 1.00 53.42 C ATOM 2019 CZ2 TRP B 48 8.034 -5.360 -6.656 1.00 13.41 C ATOM 2020 CZ3 TRP B 48 6.395 -5.559 -4.891 1.00 13.32 C ATOM 2021 CH2 TRP B 48 7.525 -6.026 -5.574 1.00 11.33 C ATOM 0 H TRP B 48 3.083 -0.289 -5.309 1.00 11.43 H new ATOM 0 HA TRP B 48 5.914 -0.842 -5.082 1.00 42.12 H new ATOM 0 HB2 TRP B 48 3.937 -2.248 -6.160 1.00 42.34 H new ATOM 0 HB3 TRP B 48 4.220 -1.238 -7.564 1.00 42.34 H new ATOM 0 HD1 TRP B 48 6.682 -1.527 -8.803 1.00 61.50 H new ATOM 0 HE1 TRP B 48 8.438 -3.420 -8.742 1.00 11.22 H new ATOM 0 HE3 TRP B 48 4.880 -4.056 -4.765 1.00 53.42 H new ATOM 0 HZ2 TRP B 48 8.910 -5.721 -7.175 1.00 13.41 H new ATOM 0 HZ3 TRP B 48 6.024 -6.107 -4.037 1.00 13.32 H new ATOM 0 HH2 TRP B 48 8.006 -6.933 -5.239 1.00 11.33 H new ATOM 2032 N LEU B 49 4.863 1.654 -6.955 1.00 11.31 N ATOM 2033 CA LEU B 49 5.292 2.924 -7.600 1.00 52.24 C ATOM 2034 C LEU B 49 6.189 3.768 -6.653 1.00 14.25 C ATOM 2035 O LEU B 49 7.137 4.414 -7.100 1.00 23.40 O ATOM 2036 CB LEU B 49 4.044 3.744 -8.055 1.00 54.22 C ATOM 2037 CG LEU B 49 3.422 3.403 -9.450 1.00 0.31 C ATOM 2038 CD1 LEU B 49 3.202 1.913 -9.630 1.00 52.30 C ATOM 2039 CD2 LEU B 49 2.099 4.169 -9.662 1.00 21.45 C ATOM 0 H LEU B 49 3.853 1.575 -6.836 1.00 11.31 H new ATOM 0 HA LEU B 49 5.888 2.673 -8.478 1.00 52.24 H new ATOM 0 HB2 LEU B 49 3.267 3.619 -7.301 1.00 54.22 H new ATOM 0 HB3 LEU B 49 4.318 4.799 -8.058 1.00 54.22 H new ATOM 0 HG LEU B 49 4.141 3.722 -10.205 1.00 0.31 H new ATOM 0 HD11 LEU B 49 2.769 1.725 -10.613 1.00 52.30 H new ATOM 0 HD12 LEU B 49 4.156 1.392 -9.548 1.00 52.30 H new ATOM 0 HD13 LEU B 49 2.523 1.550 -8.859 1.00 52.30 H new ATOM 0 HD21 LEU B 49 1.685 3.916 -10.638 1.00 21.45 H new ATOM 0 HD22 LEU B 49 1.389 3.891 -8.883 1.00 21.45 H new ATOM 0 HD23 LEU B 49 2.288 5.241 -9.614 1.00 21.45 H new ATOM 2051 N LEU B 50 5.858 3.756 -5.350 1.00 62.13 N ATOM 2052 CA LEU B 50 6.659 4.425 -4.296 1.00 34.43 C ATOM 2053 C LEU B 50 8.001 3.694 -4.023 1.00 35.45 C ATOM 2054 O LEU B 50 9.012 4.346 -3.731 1.00 63.12 O ATOM 2055 CB LEU B 50 5.824 4.537 -2.986 1.00 40.35 C ATOM 2056 CG LEU B 50 4.577 5.477 -3.062 1.00 71.22 C ATOM 2057 CD1 LEU B 50 3.759 5.449 -1.749 1.00 72.33 C ATOM 2058 CD2 LEU B 50 4.993 6.919 -3.437 1.00 32.33 C ATOM 0 H LEU B 50 5.028 3.283 -4.992 1.00 62.13 H new ATOM 0 HA LEU B 50 6.908 5.423 -4.656 1.00 34.43 H new ATOM 0 HB2 LEU B 50 5.489 3.539 -2.703 1.00 40.35 H new ATOM 0 HB3 LEU B 50 6.477 4.892 -2.189 1.00 40.35 H new ATOM 0 HG LEU B 50 3.928 5.100 -3.852 1.00 71.22 H new ATOM 0 HD11 LEU B 50 2.901 6.115 -1.841 1.00 72.33 H new ATOM 0 HD12 LEU B 50 3.412 4.434 -1.558 1.00 72.33 H new ATOM 0 HD13 LEU B 50 4.387 5.779 -0.922 1.00 72.33 H new ATOM 0 HD21 LEU B 50 4.107 7.553 -3.483 1.00 32.33 H new ATOM 0 HD22 LEU B 50 5.678 7.308 -2.684 1.00 32.33 H new ATOM 0 HD23 LEU B 50 5.487 6.914 -4.409 1.00 32.33 H new ATOM 2070 N ARG B 51 8.005 2.340 -4.106 1.00 41.11 N ATOM 2071 CA ARG B 51 9.215 1.532 -3.799 1.00 54.15 C ATOM 2072 C ARG B 51 10.329 1.724 -4.852 1.00 74.01 C ATOM 2073 O ARG B 51 11.518 1.729 -4.516 1.00 65.45 O ATOM 2074 CB ARG B 51 8.852 0.021 -3.576 1.00 64.31 C ATOM 2075 CG ARG B 51 8.619 -0.907 -4.811 1.00 21.55 C ATOM 2076 CD ARG B 51 9.903 -1.562 -5.379 1.00 70.01 C ATOM 2077 NE ARG B 51 10.639 -2.354 -4.370 1.00 70.45 N ATOM 2078 CZ ARG B 51 11.845 -2.071 -3.902 1.00 41.33 C ATOM 2079 NH1 ARG B 51 12.478 -1.003 -4.268 1.00 1.14 N ATOM 2080 NH2 ARG B 51 12.402 -2.858 -3.051 1.00 42.33 N ATOM 0 H ARG B 51 7.193 1.788 -4.380 1.00 41.11 H new ATOM 0 HA ARG B 51 9.623 1.903 -2.859 1.00 54.15 H new ATOM 0 HB2 ARG B 51 9.651 -0.422 -2.981 1.00 64.31 H new ATOM 0 HB3 ARG B 51 7.947 -0.011 -2.969 1.00 64.31 H new ATOM 0 HG2 ARG B 51 7.919 -1.694 -4.530 1.00 21.55 H new ATOM 0 HG3 ARG B 51 8.144 -0.325 -5.601 1.00 21.55 H new ATOM 0 HD2 ARG B 51 9.636 -2.207 -6.216 1.00 70.01 H new ATOM 0 HD3 ARG B 51 10.558 -0.785 -5.772 1.00 70.01 H new ATOM 0 HE ARG B 51 10.179 -3.188 -4.004 1.00 70.45 H new ATOM 0 HH11 ARG B 51 12.049 -0.358 -4.931 1.00 1.14 H new ATOM 0 HH12 ARG B 51 13.406 -0.807 -3.893 1.00 1.14 H new ATOM 0 HH21 ARG B 51 11.915 -3.698 -2.738 1.00 42.33 H new ATOM 0 HH22 ARG B 51 13.331 -2.642 -2.689 1.00 42.33 H new ATOM 2094 N GLU B 52 9.931 1.874 -6.124 1.00 14.23 N ATOM 2095 CA GLU B 52 10.876 2.146 -7.232 1.00 65.25 C ATOM 2096 C GLU B 52 11.138 3.666 -7.390 1.00 2.43 C ATOM 2097 O GLU B 52 12.150 4.054 -7.990 1.00 72.42 O ATOM 2098 CB GLU B 52 10.318 1.568 -8.562 1.00 2.20 C ATOM 2099 CG GLU B 52 10.291 0.030 -8.671 1.00 10.21 C ATOM 2100 CD GLU B 52 9.843 -0.471 -10.065 1.00 43.40 C ATOM 2101 OE1 GLU B 52 10.464 -0.068 -11.077 1.00 13.44 O ATOM 2102 OE2 GLU B 52 8.873 -1.246 -10.160 1.00 73.14 O ATOM 0 H GLU B 52 8.956 1.812 -6.418 1.00 14.23 H new ATOM 0 HA GLU B 52 11.822 1.661 -6.992 1.00 65.25 H new ATOM 0 HB2 GLU B 52 9.303 1.940 -8.699 1.00 2.20 H new ATOM 0 HB3 GLU B 52 10.915 1.960 -9.385 1.00 2.20 H new ATOM 0 HG2 GLU B 52 11.285 -0.361 -8.453 1.00 10.21 H new ATOM 0 HG3 GLU B 52 9.617 -0.370 -7.914 1.00 10.21 H new ATOM 2109 N ASP B 53 10.226 4.496 -6.833 1.00 33.35 N ATOM 2110 CA ASP B 53 10.157 5.959 -7.081 1.00 63.23 C ATOM 2111 C ASP B 53 9.904 6.258 -8.577 1.00 12.34 C ATOM 2112 O ASP B 53 10.597 7.051 -9.221 1.00 24.41 O ATOM 2113 CB ASP B 53 11.383 6.725 -6.509 1.00 3.45 C ATOM 2114 CG ASP B 53 11.362 6.805 -4.974 1.00 10.51 C ATOM 2115 OD1 ASP B 53 10.376 7.332 -4.421 1.00 11.43 O ATOM 2116 OD2 ASP B 53 12.323 6.349 -4.314 1.00 75.11 O ATOM 0 H ASP B 53 9.507 4.166 -6.190 1.00 33.35 H new ATOM 0 HA ASP B 53 9.299 6.341 -6.528 1.00 63.23 H new ATOM 0 HB2 ASP B 53 12.299 6.231 -6.832 1.00 3.45 H new ATOM 0 HB3 ASP B 53 11.403 7.733 -6.922 1.00 3.45 H new ATOM 2121 N LYS B 54 8.878 5.572 -9.099 1.00 64.20 N ATOM 2122 CA LYS B 54 8.323 5.792 -10.450 1.00 51.52 C ATOM 2123 C LYS B 54 7.449 7.058 -10.447 1.00 71.13 C ATOM 2124 O LYS B 54 7.311 7.750 -11.466 1.00 24.11 O ATOM 2125 CB LYS B 54 7.445 4.573 -10.853 1.00 23.00 C ATOM 2126 CG LYS B 54 8.141 3.213 -10.689 1.00 31.21 C ATOM 2127 CD LYS B 54 7.186 1.999 -10.817 1.00 52.32 C ATOM 2128 CE LYS B 54 6.657 1.788 -12.236 1.00 51.04 C ATOM 2129 NZ LYS B 54 7.756 1.562 -13.203 1.00 12.03 N ATOM 0 H LYS B 54 8.398 4.832 -8.587 1.00 64.20 H new ATOM 0 HA LYS B 54 9.141 5.911 -11.161 1.00 51.52 H new ATOM 0 HB2 LYS B 54 6.537 4.579 -10.250 1.00 23.00 H new ATOM 0 HB3 LYS B 54 7.138 4.688 -11.893 1.00 23.00 H new ATOM 0 HG2 LYS B 54 8.927 3.125 -11.439 1.00 31.21 H new ATOM 0 HG3 LYS B 54 8.626 3.180 -9.714 1.00 31.21 H new ATOM 0 HD2 LYS B 54 7.710 1.099 -10.495 1.00 52.32 H new ATOM 0 HD3 LYS B 54 6.343 2.137 -10.140 1.00 52.32 H new ATOM 0 HE2 LYS B 54 5.980 0.934 -12.249 1.00 51.04 H new ATOM 0 HE3 LYS B 54 6.077 2.659 -12.541 1.00 51.04 H new ATOM 0 HZ1 LYS B 54 7.365 1.192 -14.093 1.00 12.03 H new ATOM 0 HZ2 LYS B 54 8.246 2.460 -13.387 1.00 12.03 H new ATOM 0 HZ3 LYS B 54 8.429 0.875 -12.809 1.00 12.03 H new ATOM 2143 N VAL B 55 6.852 7.342 -9.269 1.00 31.24 N ATOM 2144 CA VAL B 55 5.903 8.451 -9.085 1.00 3.43 C ATOM 2145 C VAL B 55 6.237 9.278 -7.830 1.00 43.44 C ATOM 2146 O VAL B 55 7.039 8.877 -6.977 1.00 13.22 O ATOM 2147 CB VAL B 55 4.406 7.952 -8.983 1.00 65.12 C ATOM 2148 CG1 VAL B 55 4.016 7.093 -10.203 1.00 73.24 C ATOM 2149 CG2 VAL B 55 4.126 7.231 -7.637 1.00 73.31 C ATOM 0 H VAL B 55 7.018 6.804 -8.419 1.00 31.24 H new ATOM 0 HA VAL B 55 6.003 9.077 -9.972 1.00 3.43 H new ATOM 0 HB VAL B 55 3.765 8.833 -8.997 1.00 65.12 H new ATOM 0 HG11 VAL B 55 2.981 6.766 -10.102 1.00 73.24 H new ATOM 0 HG12 VAL B 55 4.123 7.684 -11.113 1.00 73.24 H new ATOM 0 HG13 VAL B 55 4.668 6.221 -10.258 1.00 73.24 H new ATOM 0 HG21 VAL B 55 3.086 6.905 -7.608 1.00 73.31 H new ATOM 0 HG22 VAL B 55 4.781 6.365 -7.545 1.00 73.31 H new ATOM 0 HG23 VAL B 55 4.314 7.917 -6.811 1.00 73.31 H new ATOM 2159 N VAL B 56 5.596 10.443 -7.757 1.00 33.53 N ATOM 2160 CA VAL B 56 5.535 11.297 -6.573 1.00 52.52 C ATOM 2161 C VAL B 56 4.062 11.640 -6.281 1.00 4.21 C ATOM 2162 O VAL B 56 3.296 11.950 -7.190 1.00 54.13 O ATOM 2163 CB VAL B 56 6.417 12.594 -6.755 1.00 31.21 C ATOM 2164 CG1 VAL B 56 6.009 13.421 -8.006 1.00 1.33 C ATOM 2165 CG2 VAL B 56 6.432 13.463 -5.463 1.00 55.11 C ATOM 0 H VAL B 56 5.086 10.832 -8.550 1.00 33.53 H new ATOM 0 HA VAL B 56 5.949 10.763 -5.718 1.00 52.52 H new ATOM 0 HB VAL B 56 7.438 12.256 -6.931 1.00 31.21 H new ATOM 0 HG11 VAL B 56 6.647 14.302 -8.084 1.00 1.33 H new ATOM 0 HG12 VAL B 56 6.125 12.809 -8.900 1.00 1.33 H new ATOM 0 HG13 VAL B 56 4.969 13.733 -7.912 1.00 1.33 H new ATOM 0 HG21 VAL B 56 7.049 14.347 -5.626 1.00 55.11 H new ATOM 0 HG22 VAL B 56 5.415 13.770 -5.219 1.00 55.11 H new ATOM 0 HG23 VAL B 56 6.843 12.881 -4.638 1.00 55.11 H new ATOM 2175 N THR B 57 3.656 11.570 -5.015 1.00 32.43 N ATOM 2176 CA THR B 57 2.257 11.811 -4.620 1.00 63.41 C ATOM 2177 C THR B 57 2.181 12.855 -3.503 1.00 72.23 C ATOM 2178 O THR B 57 3.119 13.033 -2.719 1.00 24.15 O ATOM 2179 CB THR B 57 1.502 10.492 -4.231 1.00 50.45 C ATOM 2180 OG1 THR B 57 0.210 10.789 -3.655 1.00 72.34 O ATOM 2181 CG2 THR B 57 2.301 9.594 -3.287 1.00 23.32 C ATOM 0 H THR B 57 4.275 11.347 -4.236 1.00 32.43 H new ATOM 0 HA THR B 57 1.741 12.208 -5.494 1.00 63.41 H new ATOM 0 HB THR B 57 1.369 9.937 -5.160 1.00 50.45 H new ATOM 0 HG1 THR B 57 -0.175 9.971 -3.277 1.00 72.34 H new ATOM 0 HG21 THR B 57 1.721 8.700 -3.058 1.00 23.32 H new ATOM 0 HG22 THR B 57 3.238 9.307 -3.764 1.00 23.32 H new ATOM 0 HG23 THR B 57 2.514 10.134 -2.365 1.00 23.32 H new ATOM 2189 N SER B 58 1.047 13.550 -3.468 1.00 23.15 N ATOM 2190 CA SER B 58 0.806 14.698 -2.591 1.00 11.25 C ATOM 2191 C SER B 58 -0.396 14.420 -1.686 1.00 62.11 C ATOM 2192 O SER B 58 -1.409 13.863 -2.133 1.00 13.23 O ATOM 2193 CB SER B 58 0.548 15.970 -3.433 1.00 21.11 C ATOM 2194 OG SER B 58 1.696 16.333 -4.195 1.00 32.15 O ATOM 0 H SER B 58 0.249 13.327 -4.063 1.00 23.15 H new ATOM 0 HA SER B 58 1.689 14.859 -1.973 1.00 11.25 H new ATOM 0 HB2 SER B 58 -0.295 15.800 -4.102 1.00 21.11 H new ATOM 0 HB3 SER B 58 0.271 16.794 -2.775 1.00 21.11 H new ATOM 0 HG SER B 58 1.559 17.219 -4.590 1.00 32.15 H new ATOM 2200 N GLU B 59 -0.280 14.831 -0.421 1.00 74.35 N ATOM 2201 CA GLU B 59 -1.353 14.694 0.570 1.00 15.42 C ATOM 2202 C GLU B 59 -2.111 16.036 0.627 1.00 73.23 C ATOM 2203 O GLU B 59 -1.646 17.012 1.234 1.00 10.14 O ATOM 2204 CB GLU B 59 -0.729 14.303 1.939 1.00 60.44 C ATOM 2205 CG GLU B 59 -1.737 13.925 3.037 1.00 43.10 C ATOM 2206 CD GLU B 59 -1.051 13.380 4.305 1.00 40.53 C ATOM 2207 OE1 GLU B 59 -0.562 14.188 5.129 1.00 63.04 O ATOM 2208 OE2 GLU B 59 -0.979 12.143 4.472 1.00 3.43 O ATOM 0 H GLU B 59 0.564 15.270 -0.053 1.00 74.35 H new ATOM 0 HA GLU B 59 -2.060 13.909 0.303 1.00 15.42 H new ATOM 0 HB2 GLU B 59 -0.053 13.462 1.784 1.00 60.44 H new ATOM 0 HB3 GLU B 59 -0.124 15.137 2.295 1.00 60.44 H new ATOM 0 HG2 GLU B 59 -2.331 14.801 3.297 1.00 43.10 H new ATOM 0 HG3 GLU B 59 -2.427 13.175 2.650 1.00 43.10 H new ATOM 2215 N VAL B 60 -3.282 16.066 -0.041 1.00 31.54 N ATOM 2216 CA VAL B 60 -4.055 17.305 -0.301 1.00 43.32 C ATOM 2217 C VAL B 60 -5.484 17.165 0.258 1.00 21.41 C ATOM 2218 O VAL B 60 -6.302 16.417 -0.285 1.00 5.13 O ATOM 2219 CB VAL B 60 -4.107 17.650 -1.848 1.00 13.04 C ATOM 2220 CG1 VAL B 60 -5.054 18.849 -2.153 1.00 51.10 C ATOM 2221 CG2 VAL B 60 -2.685 17.923 -2.397 1.00 72.05 C ATOM 0 H VAL B 60 -3.724 15.228 -0.419 1.00 31.54 H new ATOM 0 HA VAL B 60 -3.547 18.125 0.205 1.00 43.32 H new ATOM 0 HB VAL B 60 -4.518 16.778 -2.357 1.00 13.04 H new ATOM 0 HG11 VAL B 60 -5.056 19.047 -3.225 1.00 51.10 H new ATOM 0 HG12 VAL B 60 -6.065 18.606 -1.827 1.00 51.10 H new ATOM 0 HG13 VAL B 60 -4.704 19.734 -1.621 1.00 51.10 H new ATOM 0 HG21 VAL B 60 -2.744 18.158 -3.460 1.00 72.05 H new ATOM 0 HG22 VAL B 60 -2.244 18.765 -1.863 1.00 72.05 H new ATOM 0 HG23 VAL B 60 -2.064 17.039 -2.255 1.00 72.05 H new ATOM 2231 N GLU B 61 -5.755 17.913 1.347 1.00 51.45 N ATOM 2232 CA GLU B 61 -7.084 18.003 2.017 1.00 41.31 C ATOM 2233 C GLU B 61 -7.665 16.604 2.407 1.00 71.52 C ATOM 2234 O GLU B 61 -8.889 16.417 2.472 1.00 51.54 O ATOM 2235 CB GLU B 61 -8.066 18.802 1.106 1.00 71.52 C ATOM 2236 CG GLU B 61 -7.478 20.113 0.536 1.00 10.11 C ATOM 2237 CD GLU B 61 -8.503 20.938 -0.255 1.00 75.42 C ATOM 2238 OE1 GLU B 61 -8.652 20.714 -1.478 1.00 13.24 O ATOM 2239 OE2 GLU B 61 -9.175 21.806 0.341 1.00 5.11 O ATOM 0 H GLU B 61 -5.045 18.487 1.801 1.00 51.45 H new ATOM 0 HA GLU B 61 -6.952 18.535 2.959 1.00 41.31 H new ATOM 0 HB2 GLU B 61 -8.374 18.165 0.277 1.00 71.52 H new ATOM 0 HB3 GLU B 61 -8.963 19.038 1.678 1.00 71.52 H new ATOM 0 HG2 GLU B 61 -7.089 20.717 1.356 1.00 10.11 H new ATOM 0 HG3 GLU B 61 -6.634 19.875 -0.112 1.00 10.11 H new ATOM 2246 N GLY B 62 -6.760 15.649 2.711 1.00 42.52 N ATOM 2247 CA GLY B 62 -7.137 14.255 3.028 1.00 54.20 C ATOM 2248 C GLY B 62 -7.113 13.292 1.822 1.00 74.14 C ATOM 2249 O GLY B 62 -7.029 12.068 2.005 1.00 4.02 O ATOM 0 H GLY B 62 -5.755 15.821 2.743 1.00 42.52 H new ATOM 0 HA2 GLY B 62 -6.460 13.875 3.793 1.00 54.20 H new ATOM 0 HA3 GLY B 62 -8.138 14.252 3.458 1.00 54.20 H new ATOM 2253 N GLU B 63 -7.201 13.838 0.594 1.00 71.21 N ATOM 2254 CA GLU B 63 -7.232 13.044 -0.663 1.00 32.25 C ATOM 2255 C GLU B 63 -5.803 12.720 -1.177 1.00 11.14 C ATOM 2256 O GLU B 63 -4.888 13.553 -1.091 1.00 63.10 O ATOM 2257 CB GLU B 63 -8.016 13.828 -1.760 1.00 13.41 C ATOM 2258 CG GLU B 63 -9.435 14.289 -1.351 1.00 1.05 C ATOM 2259 CD GLU B 63 -10.387 13.123 -1.010 1.00 0.24 C ATOM 2260 OE1 GLU B 63 -11.051 12.592 -1.930 1.00 1.15 O ATOM 2261 OE2 GLU B 63 -10.482 12.740 0.181 1.00 41.35 O ATOM 0 H GLU B 63 -7.253 14.845 0.439 1.00 71.21 H new ATOM 0 HA GLU B 63 -7.732 12.100 -0.447 1.00 32.25 H new ATOM 0 HB2 GLU B 63 -7.434 14.705 -2.044 1.00 13.41 H new ATOM 0 HB3 GLU B 63 -8.097 13.199 -2.646 1.00 13.41 H new ATOM 0 HG2 GLU B 63 -9.359 14.950 -0.487 1.00 1.05 H new ATOM 0 HG3 GLU B 63 -9.866 14.874 -2.163 1.00 1.05 H new ATOM 2268 N ILE B 64 -5.630 11.496 -1.715 1.00 74.41 N ATOM 2269 CA ILE B 64 -4.354 11.035 -2.307 1.00 1.33 C ATOM 2270 C ILE B 64 -4.254 11.468 -3.799 1.00 63.52 C ATOM 2271 O ILE B 64 -4.919 10.888 -4.673 1.00 32.20 O ATOM 2272 CB ILE B 64 -4.216 9.464 -2.184 1.00 53.44 C ATOM 2273 CG1 ILE B 64 -4.452 9.000 -0.706 1.00 41.54 C ATOM 2274 CG2 ILE B 64 -2.839 8.973 -2.710 1.00 4.32 C ATOM 2275 CD1 ILE B 64 -4.448 7.487 -0.496 1.00 72.30 C ATOM 0 H ILE B 64 -6.371 10.797 -1.752 1.00 74.41 H new ATOM 0 HA ILE B 64 -3.537 11.499 -1.754 1.00 1.33 H new ATOM 0 HB ILE B 64 -4.986 9.012 -2.809 1.00 53.44 H new ATOM 0 HG12 ILE B 64 -3.681 9.441 -0.075 1.00 41.54 H new ATOM 0 HG13 ILE B 64 -5.408 9.397 -0.365 1.00 41.54 H new ATOM 0 HG21 ILE B 64 -2.777 7.889 -2.611 1.00 4.32 H new ATOM 0 HG22 ILE B 64 -2.731 9.248 -3.759 1.00 4.32 H new ATOM 0 HG23 ILE B 64 -2.041 9.436 -2.129 1.00 4.32 H new ATOM 0 HD11 ILE B 64 -4.619 7.265 0.557 1.00 72.30 H new ATOM 0 HD12 ILE B 64 -5.238 7.034 -1.095 1.00 72.30 H new ATOM 0 HD13 ILE B 64 -3.484 7.080 -0.800 1.00 72.30 H new ATOM 2287 N PHE B 65 -3.423 12.495 -4.075 1.00 3.02 N ATOM 2288 CA PHE B 65 -3.214 13.034 -5.442 1.00 12.03 C ATOM 2289 C PHE B 65 -1.836 12.584 -5.995 1.00 75.45 C ATOM 2290 O PHE B 65 -0.794 13.155 -5.660 1.00 32.21 O ATOM 2291 CB PHE B 65 -3.330 14.585 -5.432 1.00 51.21 C ATOM 2292 CG PHE B 65 -3.181 15.231 -6.815 1.00 50.12 C ATOM 2293 CD1 PHE B 65 -4.199 15.115 -7.766 1.00 21.41 C ATOM 2294 CD2 PHE B 65 -2.022 15.931 -7.171 1.00 42.24 C ATOM 2295 CE1 PHE B 65 -4.066 15.682 -9.019 1.00 23.31 C ATOM 2296 CE2 PHE B 65 -1.891 16.494 -8.425 1.00 41.02 C ATOM 2297 CZ PHE B 65 -2.914 16.371 -9.348 1.00 1.55 C ATOM 0 H PHE B 65 -2.877 12.976 -3.360 1.00 3.02 H new ATOM 0 HA PHE B 65 -3.988 12.638 -6.099 1.00 12.03 H new ATOM 0 HB2 PHE B 65 -4.297 14.864 -5.014 1.00 51.21 H new ATOM 0 HB3 PHE B 65 -2.567 14.992 -4.768 1.00 51.21 H new ATOM 0 HD1 PHE B 65 -5.101 14.575 -7.518 1.00 21.41 H new ATOM 0 HD2 PHE B 65 -1.220 16.032 -6.455 1.00 42.24 H new ATOM 0 HE1 PHE B 65 -4.863 15.587 -9.742 1.00 23.31 H new ATOM 0 HE2 PHE B 65 -0.990 17.030 -8.685 1.00 41.02 H new ATOM 0 HZ PHE B 65 -2.812 16.814 -10.328 1.00 1.55 H new ATOM 2307 N VAL B 66 -1.853 11.576 -6.870 1.00 22.32 N ATOM 2308 CA VAL B 66 -0.634 10.909 -7.390 1.00 73.43 C ATOM 2309 C VAL B 66 -0.241 11.434 -8.800 1.00 71.41 C ATOM 2310 O VAL B 66 -1.101 11.869 -9.569 1.00 2.44 O ATOM 2311 CB VAL B 66 -0.858 9.350 -7.423 1.00 31.34 C ATOM 2312 CG1 VAL B 66 -1.140 8.798 -6.008 1.00 31.34 C ATOM 2313 CG2 VAL B 66 -2.006 8.966 -8.370 1.00 44.04 C ATOM 0 H VAL B 66 -2.717 11.188 -7.248 1.00 22.32 H new ATOM 0 HA VAL B 66 0.192 11.144 -6.719 1.00 73.43 H new ATOM 0 HB VAL B 66 0.063 8.903 -7.798 1.00 31.34 H new ATOM 0 HG11 VAL B 66 -1.291 7.720 -6.061 1.00 31.34 H new ATOM 0 HG12 VAL B 66 -0.293 9.014 -5.358 1.00 31.34 H new ATOM 0 HG13 VAL B 66 -2.036 9.270 -5.605 1.00 31.34 H new ATOM 0 HG21 VAL B 66 -2.133 7.883 -8.368 1.00 44.04 H new ATOM 0 HG22 VAL B 66 -2.928 9.440 -8.034 1.00 44.04 H new ATOM 0 HG23 VAL B 66 -1.772 9.302 -9.380 1.00 44.04 H new ATOM 2323 N LYS B 67 1.075 11.414 -9.118 1.00 13.10 N ATOM 2324 CA LYS B 67 1.605 11.825 -10.452 1.00 63.44 C ATOM 2325 C LYS B 67 2.985 11.197 -10.677 1.00 33.24 C ATOM 2326 O LYS B 67 3.617 10.820 -9.720 1.00 1.24 O ATOM 2327 CB LYS B 67 1.698 13.377 -10.531 1.00 60.04 C ATOM 2328 CG LYS B 67 2.402 14.031 -9.329 1.00 31.10 C ATOM 2329 CD LYS B 67 2.384 15.572 -9.363 1.00 64.14 C ATOM 2330 CE LYS B 67 2.876 16.172 -8.036 1.00 35.23 C ATOM 2331 NZ LYS B 67 1.986 15.803 -6.901 1.00 12.22 N ATOM 0 H LYS B 67 1.800 11.115 -8.466 1.00 13.10 H new ATOM 0 HA LYS B 67 0.927 11.476 -11.231 1.00 63.44 H new ATOM 0 HB2 LYS B 67 2.230 13.652 -11.442 1.00 60.04 H new ATOM 0 HB3 LYS B 67 0.691 13.786 -10.614 1.00 60.04 H new ATOM 0 HG2 LYS B 67 1.924 13.691 -8.410 1.00 31.10 H new ATOM 0 HG3 LYS B 67 3.436 13.689 -9.295 1.00 31.10 H new ATOM 0 HD2 LYS B 67 3.014 15.926 -10.179 1.00 64.14 H new ATOM 0 HD3 LYS B 67 1.372 15.920 -9.568 1.00 64.14 H new ATOM 0 HE2 LYS B 67 3.889 15.824 -7.832 1.00 35.23 H new ATOM 0 HE3 LYS B 67 2.924 17.257 -8.123 1.00 35.23 H new ATOM 0 HZ1 LYS B 67 2.269 16.332 -6.052 1.00 12.22 H new ATOM 0 HZ2 LYS B 67 1.001 16.036 -7.142 1.00 12.22 H new ATOM 0 HZ3 LYS B 67 2.065 14.783 -6.715 1.00 12.22 H new ATOM 2345 N LEU B 68 3.460 11.103 -11.933 1.00 33.54 N ATOM 2346 CA LEU B 68 4.831 10.590 -12.220 1.00 20.44 C ATOM 2347 C LEU B 68 5.918 11.543 -11.655 1.00 20.40 C ATOM 2348 O LEU B 68 5.636 12.717 -11.370 1.00 54.32 O ATOM 2349 CB LEU B 68 5.053 10.395 -13.748 1.00 11.02 C ATOM 2350 CG LEU B 68 4.051 9.456 -14.488 1.00 54.33 C ATOM 2351 CD1 LEU B 68 4.484 9.210 -15.948 1.00 64.32 C ATOM 2352 CD2 LEU B 68 3.863 8.128 -13.737 1.00 20.01 C ATOM 0 H LEU B 68 2.929 11.370 -12.762 1.00 33.54 H new ATOM 0 HA LEU B 68 4.919 9.623 -11.726 1.00 20.44 H new ATOM 0 HB2 LEU B 68 5.017 11.375 -14.225 1.00 11.02 H new ATOM 0 HB3 LEU B 68 6.059 10.005 -13.898 1.00 11.02 H new ATOM 0 HG LEU B 68 3.087 9.964 -14.508 1.00 54.33 H new ATOM 0 HD11 LEU B 68 3.764 8.552 -16.435 1.00 64.32 H new ATOM 0 HD12 LEU B 68 4.525 10.160 -16.480 1.00 64.32 H new ATOM 0 HD13 LEU B 68 5.469 8.744 -15.962 1.00 64.32 H new ATOM 0 HD21 LEU B 68 3.159 7.499 -14.281 1.00 20.01 H new ATOM 0 HD22 LEU B 68 4.822 7.615 -13.659 1.00 20.01 H new ATOM 0 HD23 LEU B 68 3.475 8.327 -12.738 1.00 20.01 H new ATOM 2364 N VAL B 69 7.156 11.031 -11.472 1.00 24.11 N ATOM 2365 CA VAL B 69 8.320 11.890 -11.142 1.00 61.22 C ATOM 2366 C VAL B 69 8.644 12.804 -12.355 1.00 33.41 C ATOM 2367 O VAL B 69 9.404 12.437 -13.261 1.00 41.45 O ATOM 2368 CB VAL B 69 9.593 11.053 -10.709 1.00 11.12 C ATOM 2369 CG1 VAL B 69 10.811 11.967 -10.395 1.00 62.33 C ATOM 2370 CG2 VAL B 69 9.274 10.137 -9.505 1.00 31.10 C ATOM 0 H VAL B 69 7.376 10.038 -11.546 1.00 24.11 H new ATOM 0 HA VAL B 69 8.051 12.502 -10.281 1.00 61.22 H new ATOM 0 HB VAL B 69 9.865 10.425 -11.557 1.00 11.12 H new ATOM 0 HG11 VAL B 69 11.662 11.352 -10.102 1.00 62.33 H new ATOM 0 HG12 VAL B 69 11.070 12.546 -11.282 1.00 62.33 H new ATOM 0 HG13 VAL B 69 10.557 12.645 -9.581 1.00 62.33 H new ATOM 0 HG21 VAL B 69 10.166 9.574 -9.229 1.00 31.10 H new ATOM 0 HG22 VAL B 69 8.953 10.746 -8.660 1.00 31.10 H new ATOM 0 HG23 VAL B 69 8.477 9.444 -9.776 1.00 31.10 H new ATOM 2380 N LEU B 70 7.971 13.967 -12.394 1.00 21.52 N ATOM 2381 CA LEU B 70 8.117 14.968 -13.464 1.00 42.23 C ATOM 2382 C LEU B 70 8.684 16.277 -12.873 1.00 72.54 C ATOM 2383 O LEU B 70 7.930 17.129 -12.391 1.00 75.24 O ATOM 2384 CB LEU B 70 6.750 15.213 -14.176 1.00 43.41 C ATOM 2385 CG LEU B 70 6.089 13.971 -14.863 1.00 51.22 C ATOM 2386 CD1 LEU B 70 4.715 14.330 -15.479 1.00 52.15 C ATOM 2387 CD2 LEU B 70 7.034 13.332 -15.912 1.00 33.15 C ATOM 0 H LEU B 70 7.302 14.241 -11.674 1.00 21.52 H new ATOM 0 HA LEU B 70 8.815 14.595 -14.214 1.00 42.23 H new ATOM 0 HB2 LEU B 70 6.049 15.610 -13.442 1.00 43.41 H new ATOM 0 HB3 LEU B 70 6.892 15.986 -14.932 1.00 43.41 H new ATOM 0 HG LEU B 70 5.913 13.225 -14.088 1.00 51.22 H new ATOM 0 HD11 LEU B 70 4.284 13.445 -15.948 1.00 52.15 H new ATOM 0 HD12 LEU B 70 4.047 14.687 -14.695 1.00 52.15 H new ATOM 0 HD13 LEU B 70 4.845 15.111 -16.229 1.00 52.15 H new ATOM 0 HD21 LEU B 70 6.543 12.473 -16.369 1.00 33.15 H new ATOM 0 HD22 LEU B 70 7.272 14.066 -16.682 1.00 33.15 H new ATOM 0 HD23 LEU B 70 7.953 13.007 -15.424 1.00 33.15 H new ATOM 2399 N GLU B 71 10.028 16.404 -12.892 1.00 15.20 N ATOM 2400 CA GLU B 71 10.748 17.597 -12.372 1.00 54.00 C ATOM 2401 C GLU B 71 10.466 18.865 -13.217 1.00 32.02 C ATOM 2402 O GLU B 71 10.661 19.987 -12.740 1.00 45.51 O ATOM 2403 CB GLU B 71 12.274 17.316 -12.319 1.00 13.14 C ATOM 2404 CG GLU B 71 12.672 16.150 -11.394 1.00 23.11 C ATOM 2405 CD GLU B 71 14.193 15.931 -11.330 1.00 33.24 C ATOM 2406 OE1 GLU B 71 14.869 16.599 -10.519 1.00 24.24 O ATOM 2407 OE2 GLU B 71 14.725 15.104 -12.097 1.00 35.14 O ATOM 0 H GLU B 71 10.648 15.686 -13.267 1.00 15.20 H new ATOM 0 HA GLU B 71 10.377 17.790 -11.365 1.00 54.00 H new ATOM 0 HB2 GLU B 71 12.627 17.101 -13.328 1.00 13.14 H new ATOM 0 HB3 GLU B 71 12.787 18.219 -11.987 1.00 13.14 H new ATOM 0 HG2 GLU B 71 12.295 16.344 -10.390 1.00 23.11 H new ATOM 0 HG3 GLU B 71 12.192 15.236 -11.743 1.00 23.11 H new ATOM 2414 N HIS B 72 9.995 18.672 -14.473 1.00 64.11 N ATOM 2415 CA HIS B 72 9.520 19.781 -15.348 1.00 54.21 C ATOM 2416 C HIS B 72 8.334 20.557 -14.709 1.00 55.20 C ATOM 2417 O HIS B 72 8.066 21.711 -15.063 1.00 33.24 O ATOM 2418 CB HIS B 72 9.109 19.236 -16.742 1.00 72.41 C ATOM 2419 CG HIS B 72 10.227 18.611 -17.538 1.00 63.21 C ATOM 2420 ND1 HIS B 72 9.998 17.711 -18.554 1.00 4.34 N ATOM 2421 CD2 HIS B 72 11.576 18.775 -17.492 1.00 64.24 C ATOM 2422 CE1 HIS B 72 11.140 17.347 -19.095 1.00 62.52 C ATOM 2423 NE2 HIS B 72 12.112 17.978 -18.472 1.00 12.04 N ATOM 0 H HIS B 72 9.932 17.752 -14.909 1.00 64.11 H new ATOM 0 HA HIS B 72 10.349 20.478 -15.465 1.00 54.21 H new ATOM 0 HB2 HIS B 72 8.321 18.495 -16.608 1.00 72.41 H new ATOM 0 HB3 HIS B 72 8.682 20.053 -17.323 1.00 72.41 H new ATOM 0 HD2 HIS B 72 12.122 19.412 -16.812 1.00 64.24 H new ATOM 0 HE1 HIS B 72 11.260 16.650 -19.911 1.00 62.52 H new ATOM 0 HE2 HIS B 72 13.106 17.889 -18.684 1.00 12.04 H new ATOM 2432 N HIS B 73 7.636 19.896 -13.767 1.00 65.21 N ATOM 2433 CA HIS B 73 6.570 20.504 -12.949 1.00 51.22 C ATOM 2434 C HIS B 73 7.064 20.690 -11.491 1.00 51.34 C ATOM 2435 O HIS B 73 7.808 19.849 -10.979 1.00 23.44 O ATOM 2436 CB HIS B 73 5.307 19.605 -12.972 1.00 1.20 C ATOM 2437 CG HIS B 73 4.784 19.324 -14.356 1.00 74.45 C ATOM 2438 ND1 HIS B 73 3.785 20.060 -14.950 1.00 10.34 N ATOM 2439 CD2 HIS B 73 5.143 18.389 -15.268 1.00 44.22 C ATOM 2440 CE1 HIS B 73 3.556 19.594 -16.158 1.00 41.30 C ATOM 2441 NE2 HIS B 73 4.365 18.584 -16.373 1.00 0.21 N ATOM 0 H HIS B 73 7.798 18.913 -13.550 1.00 65.21 H new ATOM 0 HA HIS B 73 6.316 21.480 -13.364 1.00 51.22 H new ATOM 0 HB2 HIS B 73 5.537 18.659 -12.482 1.00 1.20 H new ATOM 0 HB3 HIS B 73 4.521 20.084 -12.387 1.00 1.20 H new ATOM 0 HD2 HIS B 73 5.902 17.631 -15.144 1.00 44.22 H new ATOM 0 HE1 HIS B 73 2.826 19.978 -16.855 1.00 41.30 H new ATOM 0 HE2 HIS B 73 4.406 18.032 -17.230 1.00 0.21 H new ATOM 2450 N HIS B 74 6.679 21.822 -10.861 1.00 5.25 N ATOM 2451 CA HIS B 74 6.889 22.099 -9.410 1.00 74.21 C ATOM 2452 C HIS B 74 8.389 22.350 -9.022 1.00 44.55 C ATOM 2453 O HIS B 74 8.715 22.446 -7.833 1.00 42.35 O ATOM 2454 CB HIS B 74 6.250 20.957 -8.545 1.00 3.44 C ATOM 2455 CG HIS B 74 6.158 21.247 -7.066 1.00 13.42 C ATOM 2456 ND1 HIS B 74 7.085 20.786 -6.151 1.00 61.35 N ATOM 2457 CD2 HIS B 74 5.268 21.974 -6.353 1.00 32.14 C ATOM 2458 CE1 HIS B 74 6.771 21.217 -4.949 1.00 71.21 C ATOM 2459 NE2 HIS B 74 5.675 21.940 -5.042 1.00 14.43 N ATOM 0 H HIS B 74 6.206 22.584 -11.347 1.00 5.25 H new ATOM 0 HA HIS B 74 6.381 23.039 -9.193 1.00 74.21 H new ATOM 0 HB2 HIS B 74 5.248 20.754 -8.922 1.00 3.44 H new ATOM 0 HB3 HIS B 74 6.833 20.047 -8.685 1.00 3.44 H new ATOM 0 HD2 HIS B 74 4.400 22.485 -6.742 1.00 32.14 H new ATOM 0 HE1 HIS B 74 7.319 21.013 -4.041 1.00 71.21 H new ATOM 0 HE2 HIS B 74 5.203 22.401 -4.264 1.00 14.43 H new ATOM 2468 N HIS B 75 9.298 22.485 -10.012 1.00 10.42 N ATOM 2469 CA HIS B 75 10.730 22.774 -9.726 1.00 55.01 C ATOM 2470 C HIS B 75 10.912 24.225 -9.188 1.00 4.54 C ATOM 2471 O HIS B 75 10.337 25.175 -9.735 1.00 21.44 O ATOM 2472 CB HIS B 75 11.626 22.513 -10.972 1.00 50.13 C ATOM 2473 CG HIS B 75 11.304 23.334 -12.200 1.00 63.43 C ATOM 2474 ND1 HIS B 75 10.513 22.867 -13.230 1.00 31.42 N ATOM 2475 CD2 HIS B 75 11.697 24.579 -12.578 1.00 14.51 C ATOM 2476 CE1 HIS B 75 10.437 23.781 -14.179 1.00 11.33 C ATOM 2477 NE2 HIS B 75 11.141 24.825 -13.808 1.00 53.04 N ATOM 0 H HIS B 75 9.076 22.401 -11.004 1.00 10.42 H new ATOM 0 HA HIS B 75 11.055 22.087 -8.945 1.00 55.01 H new ATOM 0 HB2 HIS B 75 12.663 22.700 -10.695 1.00 50.13 H new ATOM 0 HB3 HIS B 75 11.552 21.458 -11.234 1.00 50.13 H new ATOM 0 HD1 HIS B 75 10.057 21.955 -13.254 1.00 31.42 H new ATOM 0 HD2 HIS B 75 12.329 25.250 -12.015 1.00 14.51 H new ATOM 0 HE1 HIS B 75 9.888 23.686 -15.104 1.00 11.33 H new ATOM 2486 N HIS B 76 11.692 24.367 -8.098 1.00 12.40 N ATOM 2487 CA HIS B 76 11.950 25.667 -7.439 1.00 3.55 C ATOM 2488 C HIS B 76 13.034 26.467 -8.215 1.00 34.31 C ATOM 2489 O HIS B 76 14.200 26.525 -7.797 1.00 41.55 O ATOM 2490 CB HIS B 76 12.374 25.413 -5.961 1.00 34.10 C ATOM 2491 CG HIS B 76 12.445 26.642 -5.088 1.00 34.11 C ATOM 2492 ND1 HIS B 76 13.438 27.595 -5.194 1.00 44.33 N ATOM 2493 CD2 HIS B 76 11.635 27.068 -4.090 1.00 72.20 C ATOM 2494 CE1 HIS B 76 13.234 28.544 -4.304 1.00 25.42 C ATOM 2495 NE2 HIS B 76 12.150 28.252 -3.623 1.00 11.15 N ATOM 0 H HIS B 76 12.163 23.583 -7.647 1.00 12.40 H new ATOM 0 HA HIS B 76 11.041 26.269 -7.444 1.00 3.55 H new ATOM 0 HB2 HIS B 76 11.670 24.711 -5.514 1.00 34.10 H new ATOM 0 HB3 HIS B 76 13.351 24.930 -5.959 1.00 34.10 H new ATOM 0 HD1 HIS B 76 14.211 27.568 -5.859 1.00 44.33 H new ATOM 0 HD2 HIS B 76 10.748 26.569 -3.728 1.00 72.20 H new ATOM 0 HE1 HIS B 76 13.854 29.416 -4.159 1.00 25.42 H new ATOM 2504 N HIS B 77 12.639 27.042 -9.373 1.00 21.01 N ATOM 2505 CA HIS B 77 13.536 27.854 -10.234 1.00 21.50 C ATOM 2506 C HIS B 77 12.724 28.573 -11.332 1.00 31.52 C ATOM 2507 O HIS B 77 12.122 27.934 -12.204 1.00 11.53 O ATOM 2508 CB HIS B 77 14.653 26.965 -10.868 1.00 14.22 C ATOM 2509 CG HIS B 77 15.770 27.738 -11.522 1.00 0.03 C ATOM 2510 ND1 HIS B 77 16.116 27.590 -12.842 1.00 4.13 N ATOM 2511 CD2 HIS B 77 16.631 28.652 -11.019 1.00 12.31 C ATOM 2512 CE1 HIS B 77 17.124 28.379 -13.129 1.00 34.15 C ATOM 2513 NE2 HIS B 77 17.460 29.038 -12.042 1.00 34.11 N ATOM 0 H HIS B 77 11.691 26.958 -9.739 1.00 21.01 H new ATOM 0 HA HIS B 77 14.017 28.608 -9.611 1.00 21.50 H new ATOM 0 HB2 HIS B 77 15.076 26.326 -10.092 1.00 14.22 H new ATOM 0 HB3 HIS B 77 14.200 26.308 -11.610 1.00 14.22 H new ATOM 0 HD2 HIS B 77 16.660 29.011 -10.001 1.00 12.31 H new ATOM 0 HE1 HIS B 77 17.598 28.472 -14.095 1.00 34.15 H new ATOM 0 HE2 HIS B 77 18.212 29.723 -11.971 1.00 34.11 H new TER 2522 HIS B 77