USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 902 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 THR OG1 : rot 21:sc= 2.12 USER MOD Set 1.2: B 35 LYS NZ :NH3+ -155:sc= 1.04 (180deg=-0.112) USER MOD Set 2.1: B 28 SER OG : rot 180:sc= 0.267 USER MOD Set 2.2: B 29 SER OG : rot 77:sc= 0.287 USER MOD Set 3.1: B 8 GLN : amide:sc= -0.986 X(o=-0.99,f=-0.76) USER MOD Set 3.2: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 54 THR OG1 : rot 145:sc= 0.0858 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.664) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0399 (180deg=-0.308) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0513 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= -0.0115 (180deg=-0.0918) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.18) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0403 (180deg=-0.239) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 1.25 (180deg=-0.0721) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.1) USER MOD Single : A 25 THR OG1 : rot 70:sc= -0.0733 USER MOD Single : A 26 MET CE :methyl -158:sc= -6.75! (180deg=-8.35!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -48:sc= 0.467 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= -2.29! (180deg=-2.58!) USER MOD Single : A 37 SER OG : rot -150:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.0369 K(o=-0.037,f=-1.1) USER MOD Single : A 44 SER OG : rot -120:sc= -0.171 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.32 (180deg=-0.194) USER MOD Single : A 48 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.32) USER MOD Single : A 49 SER OG : rot 6:sc= -0.543 USER MOD Single : A 58 THR OG1 : rot -22:sc= 0.179 USER MOD Single : B 1 MET CE :methyl -169:sc= 0 (180deg=-0.137) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.515 USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -161:sc= 0.252 (180deg=-0.0159) USER MOD Single : B 21 SER OG : rot 180:sc= 0.0127 USER MOD Single : B 22 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.5!) USER MOD Single : B 25 THR OG1 : rot 170:sc= -0.153 USER MOD Single : B 26 MET CE :methyl -160:sc= -6.71! (180deg=-8.26!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -160:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=-0.0062) USER MOD Single : B 44 SER OG : rot -130:sc= -0.136 USER MOD Single : B 48 ASN :FLIP amide:sc= -1.32 F(o=-3.1!,f=-1.3) USER MOD Single : B 49 SER OG : rot -3:sc= -0.445 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot -25:sc= 0.244 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.672 8.198 10.441 1.00 0.00 N ATOM 2 CA MET A 1 -11.814 8.329 9.236 1.00 0.00 C ATOM 3 C MET A 1 -10.966 7.068 9.031 1.00 0.00 C ATOM 4 O MET A 1 -10.653 6.358 9.993 1.00 0.00 O ATOM 5 CB MET A 1 -10.894 9.580 9.339 1.00 0.00 C ATOM 6 CG MET A 1 -10.105 9.916 8.059 1.00 0.00 C ATOM 7 SD MET A 1 -8.950 11.280 8.297 1.00 0.00 S ATOM 8 CE MET A 1 -10.063 12.639 8.667 1.00 0.00 C ATOM 0 H1 MET A 1 -13.668 8.124 10.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.401 7.344 10.969 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.549 9.034 11.048 1.00 0.00 H new ATOM 0 HA MET A 1 -12.470 8.453 8.374 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.506 10.441 9.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.187 9.426 10.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.556 9.033 7.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.804 10.171 7.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.523 13.583 8.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.889 12.636 7.956 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.454 12.524 9.678 1.00 0.00 H new ATOM 18 N TYR A 2 -10.597 6.807 7.763 1.00 0.00 N ATOM 19 CA TYR A 2 -9.676 5.724 7.392 1.00 0.00 C ATOM 20 C TYR A 2 -8.235 5.967 7.896 1.00 0.00 C ATOM 21 O TYR A 2 -7.857 7.093 8.260 1.00 0.00 O ATOM 22 CB TYR A 2 -9.716 5.489 5.859 1.00 0.00 C ATOM 23 CG TYR A 2 -9.769 6.750 4.974 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.693 7.631 4.887 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.905 7.046 4.216 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.743 8.746 4.076 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.962 8.158 3.406 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.883 9.003 3.341 1.00 0.00 C ATOM 29 OH TYR A 2 -9.938 10.105 2.529 1.00 0.00 O ATOM 0 H TYR A 2 -10.933 7.346 6.965 1.00 0.00 H new ATOM 0 HA TYR A 2 -10.017 4.817 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.835 4.912 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.586 4.874 5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.802 7.437 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.759 6.387 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.896 9.413 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.850 8.364 2.826 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.809 10.139 2.082 1.00 0.00 H new ATOM 39 N LYS A 3 -7.429 4.893 7.852 1.00 0.00 N ATOM 40 CA LYS A 3 -6.114 4.826 8.513 1.00 0.00 C ATOM 41 C LYS A 3 -5.262 3.681 7.929 1.00 0.00 C ATOM 42 O LYS A 3 -5.710 2.942 7.044 1.00 0.00 O ATOM 43 CB LYS A 3 -6.288 4.685 10.076 1.00 0.00 C ATOM 44 CG LYS A 3 -7.448 3.763 10.552 1.00 0.00 C ATOM 45 CD LYS A 3 -7.218 2.253 10.296 1.00 0.00 C ATOM 46 CE LYS A 3 -8.459 1.407 10.634 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.954 1.657 12.016 1.00 0.00 N ATOM 0 H LYS A 3 -7.674 4.038 7.352 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.581 5.757 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.355 4.306 10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.445 5.679 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.603 3.918 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.366 4.068 10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.951 2.101 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.373 1.910 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.253 1.629 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.217 0.350 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.690 0.962 12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.166 1.568 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.352 2.616 12.074 1.00 0.00 H new ATOM 61 N PHE A 4 -4.039 3.551 8.461 1.00 0.00 N ATOM 62 CA PHE A 4 -3.088 2.504 8.089 1.00 0.00 C ATOM 63 C PHE A 4 -3.119 1.403 9.146 1.00 0.00 C ATOM 64 O PHE A 4 -2.950 1.678 10.330 1.00 0.00 O ATOM 65 CB PHE A 4 -1.657 3.087 7.973 1.00 0.00 C ATOM 66 CG PHE A 4 -1.506 4.099 6.845 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.750 5.458 7.057 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.119 3.689 5.571 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.609 6.368 6.034 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.980 4.600 4.550 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.224 5.936 4.784 1.00 0.00 C ATOM 0 H PHE A 4 -3.680 4.185 9.175 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.369 2.092 7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.389 3.563 8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.952 2.271 7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.053 5.799 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.926 2.643 5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.799 7.416 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.680 4.269 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.113 6.650 3.981 1.00 0.00 H new ATOM 81 N GLU A 5 -3.360 0.161 8.714 1.00 0.00 N ATOM 82 CA GLU A 5 -3.384 -1.004 9.613 1.00 0.00 C ATOM 83 C GLU A 5 -2.071 -1.786 9.508 1.00 0.00 C ATOM 84 O GLU A 5 -1.881 -2.533 8.553 1.00 0.00 O ATOM 85 CB GLU A 5 -4.603 -1.925 9.307 1.00 0.00 C ATOM 86 CG GLU A 5 -5.961 -1.380 9.811 1.00 0.00 C ATOM 87 CD GLU A 5 -7.051 -2.462 9.897 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.030 -3.260 10.854 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.910 -2.539 9.003 1.00 0.00 O ATOM 0 H GLU A 5 -3.543 -0.068 7.737 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.490 -0.642 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.665 -2.079 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.427 -2.901 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.823 -0.932 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.297 -0.586 9.144 1.00 0.00 H new ATOM 96 N ILE A 6 -1.195 -1.645 10.525 1.00 0.00 N ATOM 97 CA ILE A 6 0.144 -2.258 10.536 1.00 0.00 C ATOM 98 C ILE A 6 0.066 -3.578 11.289 1.00 0.00 C ATOM 99 O ILE A 6 -0.383 -3.614 12.436 1.00 0.00 O ATOM 100 CB ILE A 6 1.206 -1.374 11.277 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.149 0.087 10.779 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.637 -1.972 11.103 1.00 0.00 C ATOM 103 CD1 ILE A 6 1.901 1.063 11.657 1.00 0.00 C ATOM 0 H ILE A 6 -1.400 -1.101 11.363 1.00 0.00 H new ATOM 0 HA ILE A 6 0.450 -2.380 9.497 1.00 0.00 H new ATOM 0 HB ILE A 6 0.968 -1.373 12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.557 0.133 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.106 0.399 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.360 -1.344 11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.664 -2.979 11.520 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.889 -2.011 10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.814 2.067 11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.479 1.048 12.662 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.952 0.778 11.701 1.00 0.00 H new ATOM 115 N TYR A 7 0.522 -4.640 10.664 1.00 0.00 N ATOM 116 CA TYR A 7 0.536 -5.959 11.284 1.00 0.00 C ATOM 117 C TYR A 7 1.631 -6.814 10.660 1.00 0.00 C ATOM 118 O TYR A 7 2.458 -6.320 9.900 1.00 0.00 O ATOM 119 CB TYR A 7 -0.874 -6.622 11.197 1.00 0.00 C ATOM 120 CG TYR A 7 -1.406 -6.877 9.783 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.825 -5.825 8.976 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.498 -8.170 9.262 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.304 -6.052 7.709 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.981 -8.397 7.994 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.387 -7.335 7.221 1.00 0.00 C ATOM 126 OH TYR A 7 -2.863 -7.557 5.949 1.00 0.00 O ATOM 0 H TYR A 7 0.894 -4.621 9.714 1.00 0.00 H new ATOM 0 HA TYR A 7 0.767 -5.862 12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.841 -7.573 11.729 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.586 -5.987 11.724 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.773 -4.814 9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.184 -9.008 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.616 -5.221 7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.041 -9.404 7.608 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.855 -8.519 5.760 1.00 0.00 H new ATOM 136 N GLN A 8 1.659 -8.074 11.057 1.00 0.00 N ATOM 137 CA GLN A 8 2.415 -9.116 10.350 1.00 0.00 C ATOM 138 C GLN A 8 1.466 -10.276 10.055 1.00 0.00 C ATOM 139 O GLN A 8 0.378 -10.377 10.642 1.00 0.00 O ATOM 140 CB GLN A 8 3.650 -9.619 11.141 1.00 0.00 C ATOM 141 CG GLN A 8 3.338 -10.436 12.406 1.00 0.00 C ATOM 142 CD GLN A 8 4.573 -10.977 13.144 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.479 -11.947 13.889 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.749 -10.431 12.883 1.00 0.00 N ATOM 0 H GLN A 8 1.160 -8.413 11.879 1.00 0.00 H new ATOM 0 HA GLN A 8 2.807 -8.684 9.429 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.261 -10.230 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.253 -8.757 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.766 -9.812 13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.700 -11.276 12.131 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.810 -9.625 12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.595 -10.816 13.303 1.00 0.00 H new ATOM 153 N ASP A 9 1.886 -11.151 9.154 1.00 0.00 N ATOM 154 CA ASP A 9 1.145 -12.380 8.837 1.00 0.00 C ATOM 155 C ASP A 9 1.987 -13.577 9.299 1.00 0.00 C ATOM 156 O ASP A 9 3.124 -13.371 9.744 1.00 0.00 O ATOM 157 CB ASP A 9 0.832 -12.419 7.316 1.00 0.00 C ATOM 158 CG ASP A 9 -0.219 -13.464 6.890 1.00 0.00 C ATOM 159 OD1 ASP A 9 -1.430 -13.179 6.983 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.162 -14.581 6.474 1.00 0.00 O ATOM 0 H ASP A 9 2.747 -11.037 8.619 1.00 0.00 H new ATOM 0 HA ASP A 9 0.188 -12.415 9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.487 -11.433 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.758 -12.617 6.775 1.00 0.00 H new ATOM 165 N LYS A 10 1.412 -14.799 9.154 1.00 0.00 N ATOM 166 CA LYS A 10 1.940 -16.104 9.627 1.00 0.00 C ATOM 167 C LYS A 10 3.473 -16.266 9.467 1.00 0.00 C ATOM 168 O LYS A 10 4.137 -16.787 10.367 1.00 0.00 O ATOM 169 CB LYS A 10 1.146 -17.233 8.886 1.00 0.00 C ATOM 170 CG LYS A 10 1.329 -18.682 9.420 1.00 0.00 C ATOM 171 CD LYS A 10 2.577 -19.417 8.859 1.00 0.00 C ATOM 172 CE LYS A 10 2.735 -20.822 9.444 1.00 0.00 C ATOM 173 NZ LYS A 10 2.826 -20.803 10.924 1.00 0.00 N ATOM 0 H LYS A 10 0.517 -14.905 8.677 1.00 0.00 H new ATOM 0 HA LYS A 10 1.787 -16.168 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.085 -16.986 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.435 -17.219 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.399 -18.650 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.439 -19.262 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.499 -19.484 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.470 -18.832 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.888 -21.438 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.631 -21.287 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.149 -21.731 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.502 -20.071 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.890 -20.594 11.327 1.00 0.00 H new ATOM 187 N ALA A 11 4.022 -15.773 8.343 1.00 0.00 N ATOM 188 CA ALA A 11 5.472 -15.867 8.032 1.00 0.00 C ATOM 189 C ALA A 11 6.333 -14.850 8.835 1.00 0.00 C ATOM 190 O ALA A 11 7.533 -14.718 8.572 1.00 0.00 O ATOM 191 CB ALA A 11 5.682 -15.681 6.517 1.00 0.00 C ATOM 0 H ALA A 11 3.480 -15.298 7.621 1.00 0.00 H new ATOM 0 HA ALA A 11 5.810 -16.857 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.745 -15.749 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.142 -16.459 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.307 -14.703 6.215 1.00 0.00 H new ATOM 197 N GLY A 12 5.710 -14.153 9.819 1.00 0.00 N ATOM 198 CA GLY A 12 6.337 -13.081 10.585 1.00 0.00 C ATOM 199 C GLY A 12 6.667 -11.881 9.722 1.00 0.00 C ATOM 200 O GLY A 12 7.561 -11.101 10.053 1.00 0.00 O ATOM 0 H GLY A 12 4.745 -14.334 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.671 -12.775 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.249 -13.454 11.050 1.00 0.00 H new ATOM 204 N GLU A 13 5.926 -11.726 8.613 1.00 0.00 N ATOM 205 CA GLU A 13 6.246 -10.707 7.598 1.00 0.00 C ATOM 206 C GLU A 13 5.364 -9.488 7.816 1.00 0.00 C ATOM 207 O GLU A 13 4.141 -9.600 7.745 1.00 0.00 O ATOM 208 CB GLU A 13 6.064 -11.263 6.163 1.00 0.00 C ATOM 209 CG GLU A 13 6.414 -10.259 5.035 1.00 0.00 C ATOM 210 CD GLU A 13 7.877 -9.772 5.077 1.00 0.00 C ATOM 211 OE1 GLU A 13 8.764 -10.491 4.573 1.00 0.00 O ATOM 212 OE2 GLU A 13 8.148 -8.675 5.626 1.00 0.00 O ATOM 0 H GLU A 13 5.104 -12.290 8.396 1.00 0.00 H new ATOM 0 HA GLU A 13 7.293 -10.423 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.687 -12.150 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.029 -11.583 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.223 -10.728 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.750 -9.397 5.107 1.00 0.00 H new ATOM 219 N TYR A 14 5.995 -8.319 7.987 1.00 0.00 N ATOM 220 CA TYR A 14 5.284 -7.096 8.352 1.00 0.00 C ATOM 221 C TYR A 14 4.703 -6.469 7.077 1.00 0.00 C ATOM 222 O TYR A 14 5.410 -6.272 6.083 1.00 0.00 O ATOM 223 CB TYR A 14 6.204 -6.099 9.105 1.00 0.00 C ATOM 224 CG TYR A 14 6.561 -6.560 10.526 1.00 0.00 C ATOM 225 CD1 TYR A 14 7.682 -7.357 10.770 1.00 0.00 C ATOM 226 CD2 TYR A 14 5.773 -6.190 11.627 1.00 0.00 C ATOM 227 CE1 TYR A 14 8.003 -7.763 12.046 1.00 0.00 C ATOM 228 CE2 TYR A 14 6.099 -6.599 12.903 1.00 0.00 C ATOM 229 CZ TYR A 14 7.213 -7.381 13.104 1.00 0.00 C ATOM 230 OH TYR A 14 7.542 -7.779 14.372 1.00 0.00 O ATOM 0 H TYR A 14 7.002 -8.199 7.877 1.00 0.00 H new ATOM 0 HA TYR A 14 4.475 -7.343 9.039 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.122 -5.959 8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.711 -5.128 9.158 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.308 -7.660 9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.898 -5.576 11.473 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.873 -8.380 12.215 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.483 -6.307 13.740 1.00 0.00 H new ATOM 0 HH TYR A 14 6.884 -7.425 15.007 1.00 0.00 H new ATOM 240 N ARG A 15 3.405 -6.190 7.144 1.00 0.00 N ATOM 241 CA ARG A 15 2.655 -5.519 6.091 1.00 0.00 C ATOM 242 C ARG A 15 1.646 -4.581 6.728 1.00 0.00 C ATOM 243 O ARG A 15 1.013 -4.929 7.732 1.00 0.00 O ATOM 244 CB ARG A 15 1.942 -6.495 5.107 1.00 0.00 C ATOM 245 CG ARG A 15 0.869 -7.442 5.689 1.00 0.00 C ATOM 246 CD ARG A 15 1.455 -8.666 6.403 1.00 0.00 C ATOM 247 NE ARG A 15 2.377 -9.433 5.534 1.00 0.00 N ATOM 248 CZ ARG A 15 2.023 -10.421 4.685 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.747 -10.753 4.514 1.00 0.00 N ATOM 250 NH2 ARG A 15 2.956 -11.071 4.002 1.00 0.00 N ATOM 0 H ARG A 15 2.832 -6.431 7.953 1.00 0.00 H new ATOM 0 HA ARG A 15 3.373 -4.965 5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.474 -5.899 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.706 -7.107 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.247 -6.886 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.218 -7.779 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.987 -8.342 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.644 -9.316 6.732 1.00 0.00 H new ATOM 0 HE ARG A 15 3.367 -9.193 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.018 -10.259 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.497 -11.502 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.939 -10.824 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.691 -11.818 3.360 1.00 0.00 H new ATOM 264 N PHE A 16 1.521 -3.381 6.168 1.00 0.00 N ATOM 265 CA PHE A 16 0.450 -2.453 6.518 1.00 0.00 C ATOM 266 C PHE A 16 -0.574 -2.384 5.384 1.00 0.00 C ATOM 267 O PHE A 16 -0.313 -2.823 4.255 1.00 0.00 O ATOM 268 CB PHE A 16 0.998 -1.048 6.904 1.00 0.00 C ATOM 269 CG PHE A 16 2.006 -0.418 5.935 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.586 0.315 4.825 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.378 -0.528 6.168 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.507 0.901 3.975 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.293 0.063 5.320 1.00 0.00 C ATOM 274 CZ PHE A 16 3.858 0.781 4.226 1.00 0.00 C ATOM 0 H PHE A 16 2.160 -3.024 5.458 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.055 -2.831 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.152 -0.368 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.468 -1.122 7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.530 0.426 4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.729 -1.084 7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.167 1.454 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.351 -0.037 5.514 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.574 1.249 3.567 1.00 0.00 H new ATOM 284 N ARG A 17 -1.767 -1.894 5.741 1.00 0.00 N ATOM 285 CA ARG A 17 -2.878 -1.614 4.818 1.00 0.00 C ATOM 286 C ARG A 17 -3.103 -0.102 4.798 1.00 0.00 C ATOM 287 O ARG A 17 -2.606 0.614 5.669 1.00 0.00 O ATOM 288 CB ARG A 17 -4.194 -2.308 5.315 1.00 0.00 C ATOM 289 CG ARG A 17 -4.074 -3.829 5.565 1.00 0.00 C ATOM 290 CD ARG A 17 -5.220 -4.416 6.431 1.00 0.00 C ATOM 291 NE ARG A 17 -6.485 -4.638 5.703 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.636 -5.040 6.282 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.751 -5.115 7.602 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.681 -5.337 5.528 1.00 0.00 N ATOM 0 H ARG A 17 -1.995 -1.674 6.711 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.632 -1.993 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.514 -1.827 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.978 -2.137 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.057 -4.345 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.121 -4.033 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.889 -5.364 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.410 -3.741 7.266 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.489 -4.477 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.961 -4.867 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.629 -5.421 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.615 -5.262 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.553 -5.641 5.962 1.00 0.00 H new ATOM 308 N PHE A 18 -3.844 0.366 3.805 1.00 0.00 N ATOM 309 CA PHE A 18 -4.556 1.638 3.882 1.00 0.00 C ATOM 310 C PHE A 18 -6.017 1.336 3.579 1.00 0.00 C ATOM 311 O PHE A 18 -6.344 0.685 2.567 1.00 0.00 O ATOM 312 CB PHE A 18 -3.993 2.698 2.922 1.00 0.00 C ATOM 313 CG PHE A 18 -4.658 4.074 3.006 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.935 4.663 4.241 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.989 4.780 1.855 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.524 5.902 4.315 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.577 6.020 1.929 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.849 6.581 3.158 1.00 0.00 C ATOM 0 H PHE A 18 -3.970 -0.125 2.920 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.436 2.069 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.928 2.815 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.089 2.328 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.683 4.138 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.781 4.347 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.733 6.344 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.826 6.555 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.317 7.553 3.216 1.00 0.00 H new ATOM 328 N LYS A 19 -6.874 1.782 4.484 1.00 0.00 N ATOM 329 CA LYS A 19 -8.293 1.454 4.494 1.00 0.00 C ATOM 330 C LYS A 19 -9.124 2.575 3.862 1.00 0.00 C ATOM 331 O LYS A 19 -8.585 3.597 3.414 1.00 0.00 O ATOM 332 CB LYS A 19 -8.729 1.188 5.962 1.00 0.00 C ATOM 333 CG LYS A 19 -7.987 0.003 6.622 1.00 0.00 C ATOM 334 CD LYS A 19 -8.239 -1.324 5.860 1.00 0.00 C ATOM 335 CE LYS A 19 -9.711 -1.779 5.935 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.095 -2.212 7.298 1.00 0.00 N ATOM 0 H LYS A 19 -6.597 2.396 5.250 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.465 0.559 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.557 2.088 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.801 0.993 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.917 0.211 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.316 -0.102 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.954 -1.199 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.600 -2.104 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.359 -0.961 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.872 -2.600 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.619 -3.109 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.239 -2.346 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.697 -1.486 7.736 1.00 0.00 H new ATOM 350 N ALA A 20 -10.441 2.356 3.844 1.00 0.00 N ATOM 351 CA ALA A 20 -11.434 3.303 3.333 1.00 0.00 C ATOM 352 C ALA A 20 -12.538 3.472 4.386 1.00 0.00 C ATOM 353 O ALA A 20 -12.661 2.632 5.284 1.00 0.00 O ATOM 354 CB ALA A 20 -11.985 2.808 1.987 1.00 0.00 C ATOM 0 H ALA A 20 -10.857 1.493 4.194 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.980 4.278 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.723 3.517 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.169 2.721 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.454 1.834 2.122 1.00 0.00 H new ATOM 360 N SER A 21 -13.266 4.593 4.304 1.00 0.00 N ATOM 361 CA SER A 21 -14.391 4.942 5.209 1.00 0.00 C ATOM 362 C SER A 21 -15.401 3.786 5.467 1.00 0.00 C ATOM 363 O SER A 21 -15.862 3.608 6.599 1.00 0.00 O ATOM 364 CB SER A 21 -15.112 6.176 4.631 1.00 0.00 C ATOM 365 OG SER A 21 -15.472 5.969 3.270 1.00 0.00 O ATOM 0 H SER A 21 -13.093 5.305 3.594 1.00 0.00 H new ATOM 0 HA SER A 21 -13.961 5.154 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 21 -16.006 6.387 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.465 7.049 4.710 1.00 0.00 H new ATOM 0 HG SER A 21 -15.929 6.765 2.928 1.00 0.00 H new ATOM 371 N ASN A 22 -15.718 2.993 4.425 1.00 0.00 N ATOM 372 CA ASN A 22 -16.715 1.887 4.513 1.00 0.00 C ATOM 373 C ASN A 22 -16.050 0.551 4.955 1.00 0.00 C ATOM 374 O ASN A 22 -16.719 -0.475 5.098 1.00 0.00 O ATOM 375 CB ASN A 22 -17.428 1.761 3.137 1.00 0.00 C ATOM 376 CG ASN A 22 -18.531 0.702 3.056 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.690 0.964 3.379 1.00 0.00 O ATOM 378 ND2 ASN A 22 -18.176 -0.497 2.613 1.00 0.00 N ATOM 0 H ASN A 22 -15.298 3.093 3.501 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.455 2.117 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.859 2.729 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.678 1.537 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.873 -1.237 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.206 -0.679 2.354 1.00 0.00 H new ATOM 385 N GLY A 23 -14.731 0.591 5.207 1.00 0.00 N ATOM 386 CA GLY A 23 -13.960 -0.579 5.660 1.00 0.00 C ATOM 387 C GLY A 23 -13.370 -1.406 4.529 1.00 0.00 C ATOM 388 O GLY A 23 -13.093 -2.595 4.708 1.00 0.00 O ATOM 0 H GLY A 23 -14.169 1.436 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.152 -0.240 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.607 -1.216 6.263 1.00 0.00 H new ATOM 392 N GLU A 24 -13.184 -0.776 3.363 1.00 0.00 N ATOM 393 CA GLU A 24 -12.485 -1.397 2.219 1.00 0.00 C ATOM 394 C GLU A 24 -10.971 -1.234 2.393 1.00 0.00 C ATOM 395 O GLU A 24 -10.525 -0.315 3.072 1.00 0.00 O ATOM 396 CB GLU A 24 -12.906 -0.730 0.890 1.00 0.00 C ATOM 397 CG GLU A 24 -14.420 -0.687 0.628 1.00 0.00 C ATOM 398 CD GLU A 24 -14.771 0.044 -0.674 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.287 -0.380 -1.747 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.533 1.035 -0.642 1.00 0.00 O ATOM 0 H GLU A 24 -13.510 0.173 3.181 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.752 -2.453 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.522 0.290 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.426 -1.261 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.807 -1.705 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.916 -0.193 1.463 1.00 0.00 H new ATOM 407 N THR A 25 -10.192 -2.131 1.788 1.00 0.00 N ATOM 408 CA THR A 25 -8.738 -1.966 1.648 1.00 0.00 C ATOM 409 C THR A 25 -8.425 -1.726 0.167 1.00 0.00 C ATOM 410 O THR A 25 -9.022 -2.351 -0.716 1.00 0.00 O ATOM 411 CB THR A 25 -7.968 -3.213 2.183 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.424 -3.512 3.499 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.442 -3.014 2.209 1.00 0.00 C ATOM 0 H THR A 25 -10.548 -2.995 1.379 1.00 0.00 H new ATOM 0 HA THR A 25 -8.409 -1.114 2.244 1.00 0.00 H new ATOM 0 HB THR A 25 -8.172 -4.036 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.341 -3.854 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.964 -3.916 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.084 -2.813 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.196 -2.172 2.855 1.00 0.00 H new ATOM 421 N MET A 26 -7.512 -0.800 -0.089 1.00 0.00 N ATOM 422 CA MET A 26 -7.156 -0.367 -1.453 1.00 0.00 C ATOM 423 C MET A 26 -5.697 -0.721 -1.780 1.00 0.00 C ATOM 424 O MET A 26 -5.377 -1.023 -2.935 1.00 0.00 O ATOM 425 CB MET A 26 -7.485 1.139 -1.616 1.00 0.00 C ATOM 426 CG MET A 26 -7.051 2.036 -0.451 1.00 0.00 C ATOM 427 SD MET A 26 -5.273 2.059 -0.185 1.00 0.00 S ATOM 428 CE MET A 26 -4.713 2.627 -1.777 1.00 0.00 C ATOM 0 H MET A 26 -6.988 -0.318 0.642 1.00 0.00 H new ATOM 0 HA MET A 26 -7.755 -0.907 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.010 1.501 -2.528 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.561 1.246 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.395 3.053 -0.639 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.542 1.696 0.461 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.673 2.335 -1.923 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.328 2.182 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.795 3.713 -1.825 1.00 0.00 H new ATOM 438 N PHE A 27 -4.819 -0.712 -0.763 1.00 0.00 N ATOM 439 CA PHE A 27 -3.484 -1.323 -0.871 1.00 0.00 C ATOM 440 C PHE A 27 -3.106 -1.962 0.465 1.00 0.00 C ATOM 441 O PHE A 27 -3.630 -1.601 1.526 1.00 0.00 O ATOM 442 CB PHE A 27 -2.365 -0.321 -1.368 1.00 0.00 C ATOM 443 CG PHE A 27 -1.586 0.441 -0.285 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.477 -0.123 0.352 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.969 1.709 0.090 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.200 0.579 1.329 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.304 2.413 1.049 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.219 1.855 1.685 1.00 0.00 C ATOM 0 H PHE A 27 -5.011 -0.288 0.144 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.542 -2.091 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.650 -0.882 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.832 0.410 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.148 -1.114 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.824 2.160 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.056 0.136 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.629 3.409 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.303 2.404 2.455 1.00 0.00 H new ATOM 458 N SER A 28 -2.151 -2.880 0.361 1.00 0.00 N ATOM 459 CA SER A 28 -1.551 -3.588 1.487 1.00 0.00 C ATOM 460 C SER A 28 -0.344 -4.381 1.012 1.00 0.00 C ATOM 461 O SER A 28 0.061 -4.263 -0.140 1.00 0.00 O ATOM 462 CB SER A 28 -2.592 -4.516 2.165 1.00 0.00 C ATOM 463 OG SER A 28 -3.171 -5.416 1.240 1.00 0.00 O ATOM 0 H SER A 28 -1.760 -3.161 -0.538 1.00 0.00 H new ATOM 0 HA SER A 28 -1.220 -2.861 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.112 -5.077 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.375 -3.911 2.623 1.00 0.00 H new ATOM 0 HG SER A 28 -3.821 -5.986 1.701 1.00 0.00 H new ATOM 469 N SER A 29 0.273 -5.113 1.940 1.00 0.00 N ATOM 470 CA SER A 29 1.095 -6.301 1.621 1.00 0.00 C ATOM 471 C SER A 29 2.385 -5.926 0.880 1.00 0.00 C ATOM 472 O SER A 29 2.842 -6.648 -0.020 1.00 0.00 O ATOM 473 CB SER A 29 0.244 -7.354 0.840 1.00 0.00 C ATOM 474 OG SER A 29 0.948 -8.572 0.655 1.00 0.00 O ATOM 0 H SER A 29 0.223 -4.906 2.938 1.00 0.00 H new ATOM 0 HA SER A 29 1.412 -6.758 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.681 -7.548 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.036 -6.946 -0.131 1.00 0.00 H new ATOM 0 HG SER A 29 1.850 -8.381 0.323 1.00 0.00 H new ATOM 480 N GLU A 30 2.994 -4.810 1.296 1.00 0.00 N ATOM 481 CA GLU A 30 4.260 -4.347 0.727 1.00 0.00 C ATOM 482 C GLU A 30 5.424 -5.240 1.190 1.00 0.00 C ATOM 483 O GLU A 30 6.373 -5.456 0.423 1.00 0.00 O ATOM 484 CB GLU A 30 4.504 -2.843 1.042 1.00 0.00 C ATOM 485 CG GLU A 30 5.047 -2.482 2.441 1.00 0.00 C ATOM 486 CD GLU A 30 4.200 -3.002 3.610 1.00 0.00 C ATOM 487 OE1 GLU A 30 2.954 -2.871 3.564 1.00 0.00 O ATOM 488 OE2 GLU A 30 4.781 -3.566 4.560 1.00 0.00 O ATOM 0 H GLU A 30 2.625 -4.208 2.032 1.00 0.00 H new ATOM 0 HA GLU A 30 4.201 -4.432 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.202 -2.454 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.562 -2.314 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.058 -2.879 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.122 -1.397 2.518 1.00 0.00 H new ATOM 495 N GLY A 31 5.328 -5.769 2.438 1.00 0.00 N ATOM 496 CA GLY A 31 6.319 -6.698 2.964 1.00 0.00 C ATOM 497 C GLY A 31 7.670 -6.030 3.110 1.00 0.00 C ATOM 498 O GLY A 31 8.676 -6.551 2.612 1.00 0.00 O ATOM 0 H GLY A 31 4.569 -5.558 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.990 -7.075 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.405 -7.558 2.299 1.00 0.00 H new ATOM 502 N TYR A 32 7.693 -4.874 3.803 1.00 0.00 N ATOM 503 CA TYR A 32 8.815 -3.927 3.719 1.00 0.00 C ATOM 504 C TYR A 32 10.055 -4.501 4.426 1.00 0.00 C ATOM 505 O TYR A 32 11.048 -4.820 3.758 1.00 0.00 O ATOM 506 CB TYR A 32 8.408 -2.538 4.285 1.00 0.00 C ATOM 507 CG TYR A 32 9.428 -1.416 4.008 1.00 0.00 C ATOM 508 CD1 TYR A 32 9.898 -1.174 2.711 1.00 0.00 C ATOM 509 CD2 TYR A 32 9.909 -0.597 5.028 1.00 0.00 C ATOM 510 CE1 TYR A 32 10.806 -0.167 2.455 1.00 0.00 C ATOM 511 CE2 TYR A 32 10.818 0.412 4.771 1.00 0.00 C ATOM 512 CZ TYR A 32 11.261 0.623 3.487 1.00 0.00 C ATOM 513 OH TYR A 32 12.162 1.630 3.233 1.00 0.00 O ATOM 0 H TYR A 32 6.944 -4.576 4.428 1.00 0.00 H new ATOM 0 HA TYR A 32 9.075 -3.780 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.447 -2.252 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.265 -2.625 5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.543 -1.787 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.565 -0.754 6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.159 0.001 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.179 1.033 5.577 1.00 0.00 H new ATOM 0 HH TYR A 32 12.380 2.093 4.069 1.00 0.00 H new ATOM 523 N LYS A 33 9.978 -4.671 5.763 1.00 0.00 N ATOM 524 CA LYS A 33 11.071 -5.281 6.544 1.00 0.00 C ATOM 525 C LYS A 33 10.588 -5.622 7.968 1.00 0.00 C ATOM 526 O LYS A 33 10.400 -6.789 8.312 1.00 0.00 O ATOM 527 CB LYS A 33 12.327 -4.341 6.594 1.00 0.00 C ATOM 528 CG LYS A 33 13.665 -5.053 6.901 1.00 0.00 C ATOM 529 CD LYS A 33 14.047 -6.074 5.798 1.00 0.00 C ATOM 530 CE LYS A 33 15.396 -6.773 6.050 1.00 0.00 C ATOM 531 NZ LYS A 33 16.552 -5.846 5.926 1.00 0.00 N ATOM 0 H LYS A 33 9.171 -4.394 6.322 1.00 0.00 H new ATOM 0 HA LYS A 33 11.367 -6.205 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.417 -3.829 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.159 -3.575 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.457 -4.310 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.591 -5.566 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.264 -6.828 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.086 -5.561 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.393 -7.212 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.514 -7.593 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.435 -6.366 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.574 -5.445 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.456 -5.077 6.620 1.00 0.00 H new ATOM 545 N ALA A 34 10.371 -4.578 8.781 1.00 0.00 N ATOM 546 CA ALA A 34 10.058 -4.708 10.221 1.00 0.00 C ATOM 547 C ALA A 34 8.989 -3.684 10.612 1.00 0.00 C ATOM 548 O ALA A 34 8.542 -2.925 9.747 1.00 0.00 O ATOM 549 CB ALA A 34 11.341 -4.513 11.031 1.00 0.00 C ATOM 0 H ALA A 34 10.407 -3.610 8.460 1.00 0.00 H new ATOM 0 HA ALA A 34 9.662 -5.701 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.118 -4.607 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.071 -5.270 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.749 -3.522 10.833 1.00 0.00 H new ATOM 555 N LYS A 35 8.565 -3.652 11.900 1.00 0.00 N ATOM 556 CA LYS A 35 7.548 -2.699 12.377 1.00 0.00 C ATOM 557 C LYS A 35 8.068 -1.251 12.298 1.00 0.00 C ATOM 558 O LYS A 35 7.402 -0.389 11.737 1.00 0.00 O ATOM 559 CB LYS A 35 7.139 -3.029 13.839 1.00 0.00 C ATOM 560 CG LYS A 35 5.993 -2.120 14.383 1.00 0.00 C ATOM 561 CD LYS A 35 5.940 -2.047 15.929 1.00 0.00 C ATOM 562 CE LYS A 35 5.558 -3.375 16.595 1.00 0.00 C ATOM 563 NZ LYS A 35 4.130 -3.700 16.411 1.00 0.00 N ATOM 0 H LYS A 35 8.916 -4.279 12.623 1.00 0.00 H new ATOM 0 HA LYS A 35 6.675 -2.791 11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.823 -4.071 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.011 -2.926 14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.119 -1.113 13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.038 -2.493 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.914 -1.730 16.303 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.221 -1.283 16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.168 -4.177 16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.783 -3.323 17.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.942 -4.657 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.548 -3.013 16.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.892 -3.659 15.399 1.00 0.00 H new ATOM 577 N ALA A 36 9.274 -1.010 12.847 1.00 0.00 N ATOM 578 CA ALA A 36 9.913 0.327 12.831 1.00 0.00 C ATOM 579 C ALA A 36 10.092 0.833 11.397 1.00 0.00 C ATOM 580 O ALA A 36 9.829 2.004 11.103 1.00 0.00 O ATOM 581 CB ALA A 36 11.255 0.300 13.581 1.00 0.00 C ATOM 0 H ALA A 36 9.831 -1.727 13.311 1.00 0.00 H new ATOM 0 HA ALA A 36 9.253 1.023 13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.706 1.292 13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.087 0.003 14.616 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.925 -0.415 13.103 1.00 0.00 H new ATOM 587 N SER A 37 10.481 -0.093 10.505 1.00 0.00 N ATOM 588 CA SER A 37 10.640 0.179 9.075 1.00 0.00 C ATOM 589 C SER A 37 9.277 0.500 8.423 1.00 0.00 C ATOM 590 O SER A 37 9.197 1.354 7.535 1.00 0.00 O ATOM 591 CB SER A 37 11.278 -1.048 8.396 1.00 0.00 C ATOM 592 OG SER A 37 12.458 -1.457 9.072 1.00 0.00 O ATOM 0 H SER A 37 10.694 -1.057 10.762 1.00 0.00 H new ATOM 0 HA SER A 37 11.287 1.047 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.562 -1.870 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.514 -0.810 7.359 1.00 0.00 H new ATOM 0 HG SER A 37 13.076 -1.867 8.432 1.00 0.00 H new ATOM 598 N ALA A 38 8.215 -0.181 8.904 1.00 0.00 N ATOM 599 CA ALA A 38 6.846 -0.029 8.388 1.00 0.00 C ATOM 600 C ALA A 38 6.315 1.386 8.660 1.00 0.00 C ATOM 601 O ALA A 38 5.758 2.011 7.762 1.00 0.00 O ATOM 602 CB ALA A 38 5.913 -1.094 8.996 1.00 0.00 C ATOM 0 H ALA A 38 8.288 -0.855 9.666 1.00 0.00 H new ATOM 0 HA ALA A 38 6.870 -0.178 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.906 -0.963 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.278 -2.088 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.894 -0.985 10.080 1.00 0.00 H new ATOM 608 N ILE A 39 6.485 1.877 9.910 1.00 0.00 N ATOM 609 CA ILE A 39 6.152 3.269 10.288 1.00 0.00 C ATOM 610 C ILE A 39 6.891 4.292 9.397 1.00 0.00 C ATOM 611 O ILE A 39 6.253 5.208 8.884 1.00 0.00 O ATOM 612 CB ILE A 39 6.440 3.552 11.832 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.306 2.975 12.757 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.644 5.059 12.139 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.276 1.470 12.911 1.00 0.00 C ATOM 0 H ILE A 39 6.855 1.321 10.681 1.00 0.00 H new ATOM 0 HA ILE A 39 5.081 3.391 10.124 1.00 0.00 H new ATOM 0 HB ILE A 39 7.373 3.034 12.052 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.411 3.419 13.747 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.343 3.299 12.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.836 5.191 13.204 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.493 5.435 11.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.746 5.612 11.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.454 1.188 13.569 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.134 1.007 11.934 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.218 1.129 13.340 1.00 0.00 H new ATOM 627 N HIS A 40 8.221 4.111 9.212 1.00 0.00 N ATOM 628 CA HIS A 40 9.049 5.026 8.382 1.00 0.00 C ATOM 629 C HIS A 40 8.530 5.087 6.936 1.00 0.00 C ATOM 630 O HIS A 40 8.503 6.170 6.309 1.00 0.00 O ATOM 631 CB HIS A 40 10.550 4.621 8.410 1.00 0.00 C ATOM 632 CG HIS A 40 11.225 4.854 9.742 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.188 6.058 10.399 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.938 4.027 10.542 1.00 0.00 C ATOM 635 CE1 HIS A 40 11.847 5.965 11.532 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.311 4.742 11.647 1.00 0.00 N ATOM 0 H HIS A 40 8.745 3.340 9.626 1.00 0.00 H new ATOM 0 HA HIS A 40 8.964 6.022 8.816 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.636 3.566 8.150 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.082 5.183 7.642 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.720 6.898 10.059 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.170 2.991 10.344 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.984 6.761 12.249 1.00 0.00 H new ATOM 645 N ALA A 41 8.092 3.922 6.419 1.00 0.00 N ATOM 646 CA ALA A 41 7.427 3.835 5.129 1.00 0.00 C ATOM 647 C ALA A 41 6.161 4.700 5.132 1.00 0.00 C ATOM 648 O ALA A 41 6.065 5.638 4.362 1.00 0.00 O ATOM 649 CB ALA A 41 7.114 2.371 4.780 1.00 0.00 C ATOM 0 H ALA A 41 8.195 3.024 6.892 1.00 0.00 H new ATOM 0 HA ALA A 41 8.094 4.218 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.616 2.326 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.042 1.801 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.461 1.947 5.543 1.00 0.00 H new ATOM 655 N ILE A 42 5.245 4.432 6.066 1.00 0.00 N ATOM 656 CA ILE A 42 3.984 5.198 6.204 1.00 0.00 C ATOM 657 C ILE A 42 4.251 6.706 6.411 1.00 0.00 C ATOM 658 O ILE A 42 3.442 7.545 6.006 1.00 0.00 O ATOM 659 CB ILE A 42 3.123 4.638 7.383 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.808 3.136 7.138 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.812 5.446 7.572 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.298 2.406 8.347 1.00 0.00 C ATOM 0 H ILE A 42 5.347 3.682 6.750 1.00 0.00 H new ATOM 0 HA ILE A 42 3.430 5.080 5.273 1.00 0.00 H new ATOM 0 HB ILE A 42 3.701 4.740 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.068 3.057 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.712 2.640 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.242 5.026 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.054 6.486 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.218 5.394 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.104 1.365 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.045 2.450 9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.375 2.873 8.691 1.00 0.00 H new ATOM 674 N GLU A 43 5.426 7.043 6.974 1.00 0.00 N ATOM 675 CA GLU A 43 5.809 8.439 7.210 1.00 0.00 C ATOM 676 C GLU A 43 5.967 9.173 5.880 1.00 0.00 C ATOM 677 O GLU A 43 5.594 10.340 5.795 1.00 0.00 O ATOM 678 CB GLU A 43 7.080 8.560 8.084 1.00 0.00 C ATOM 679 CG GLU A 43 6.831 8.303 9.587 1.00 0.00 C ATOM 680 CD GLU A 43 8.076 8.506 10.459 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.361 9.653 10.856 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.785 7.531 10.746 1.00 0.00 O ATOM 0 H GLU A 43 6.125 6.363 7.273 1.00 0.00 H new ATOM 0 HA GLU A 43 5.007 8.914 7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.826 7.852 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.501 9.558 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.041 8.969 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.469 7.283 9.718 1.00 0.00 H new ATOM 689 N SER A 44 6.450 8.448 4.834 1.00 0.00 N ATOM 690 CA SER A 44 6.480 8.961 3.440 1.00 0.00 C ATOM 691 C SER A 44 5.108 9.453 2.989 1.00 0.00 C ATOM 692 O SER A 44 5.004 10.483 2.294 1.00 0.00 O ATOM 693 CB SER A 44 6.931 7.854 2.466 1.00 0.00 C ATOM 694 OG SER A 44 8.321 7.585 2.588 1.00 0.00 O ATOM 0 H SER A 44 6.824 7.504 4.933 1.00 0.00 H new ATOM 0 HA SER A 44 7.184 9.793 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.365 6.943 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.706 8.155 1.443 1.00 0.00 H new ATOM 0 HG SER A 44 8.763 7.753 1.730 1.00 0.00 H new ATOM 700 N ILE A 45 4.061 8.697 3.375 1.00 0.00 N ATOM 701 CA ILE A 45 2.706 8.990 2.935 1.00 0.00 C ATOM 702 C ILE A 45 2.259 10.312 3.562 1.00 0.00 C ATOM 703 O ILE A 45 1.698 11.182 2.886 1.00 0.00 O ATOM 704 CB ILE A 45 1.642 7.863 3.272 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.232 6.422 3.167 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.470 7.993 2.291 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.509 5.936 1.760 1.00 0.00 C ATOM 0 H ILE A 45 4.139 7.885 3.988 1.00 0.00 H new ATOM 0 HA ILE A 45 2.743 9.046 1.847 1.00 0.00 H new ATOM 0 HB ILE A 45 1.322 8.007 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.161 6.386 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.539 5.728 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.273 7.225 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.015 8.978 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.834 7.868 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.916 4.926 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.582 5.932 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.229 6.600 1.281 1.00 0.00 H new ATOM 719 N LYS A 46 2.554 10.452 4.866 1.00 0.00 N ATOM 720 CA LYS A 46 2.174 11.634 5.670 1.00 0.00 C ATOM 721 C LYS A 46 2.812 12.927 5.139 1.00 0.00 C ATOM 722 O LYS A 46 2.244 14.015 5.286 1.00 0.00 O ATOM 723 CB LYS A 46 2.545 11.452 7.187 1.00 0.00 C ATOM 724 CG LYS A 46 2.395 10.027 7.801 1.00 0.00 C ATOM 725 CD LYS A 46 1.082 9.299 7.421 1.00 0.00 C ATOM 726 CE LYS A 46 -0.170 10.113 7.735 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.346 10.345 9.180 1.00 0.00 N ATOM 0 H LYS A 46 3.065 9.747 5.397 1.00 0.00 H new ATOM 0 HA LYS A 46 1.091 11.721 5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.580 11.768 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.926 12.135 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.240 9.417 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.451 10.105 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.098 9.066 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.033 8.350 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.114 11.072 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.045 9.593 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.357 10.471 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.019 9.528 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.175 11.200 9.460 1.00 0.00 H new ATOM 741 N ARG A 47 3.989 12.770 4.528 1.00 0.00 N ATOM 742 CA ARG A 47 4.810 13.911 4.052 1.00 0.00 C ATOM 743 C ARG A 47 4.087 14.738 2.964 1.00 0.00 C ATOM 744 O ARG A 47 3.948 15.958 3.107 1.00 0.00 O ATOM 745 CB ARG A 47 6.192 13.455 3.504 1.00 0.00 C ATOM 746 CG ARG A 47 7.081 12.668 4.485 1.00 0.00 C ATOM 747 CD ARG A 47 7.248 13.344 5.859 1.00 0.00 C ATOM 748 NE ARG A 47 8.123 12.550 6.736 1.00 0.00 N ATOM 749 CZ ARG A 47 7.858 12.187 8.000 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.717 12.517 8.593 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.742 11.457 8.652 1.00 0.00 N ATOM 0 H ARG A 47 4.407 11.858 4.345 1.00 0.00 H new ATOM 0 HA ARG A 47 4.967 14.539 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.025 12.838 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.740 14.338 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.655 11.675 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.065 12.530 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.667 14.342 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.272 13.467 6.328 1.00 0.00 H new ATOM 0 HE ARG A 47 9.015 12.247 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.017 13.059 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.540 12.228 9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.610 11.178 8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.558 11.172 9.614 1.00 0.00 H new ATOM 765 N ASN A 48 3.612 14.055 1.900 1.00 0.00 N ATOM 766 CA ASN A 48 3.129 14.750 0.672 1.00 0.00 C ATOM 767 C ASN A 48 2.450 13.785 -0.333 1.00 0.00 C ATOM 768 O ASN A 48 2.226 14.153 -1.479 1.00 0.00 O ATOM 769 CB ASN A 48 4.320 15.521 -0.011 1.00 0.00 C ATOM 770 CG ASN A 48 3.894 16.624 -1.000 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.735 16.390 -2.199 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.716 17.836 -0.499 1.00 0.00 N ATOM 0 H ASN A 48 3.550 13.038 1.859 1.00 0.00 H new ATOM 0 HA ASN A 48 2.364 15.463 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.938 15.969 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.945 14.801 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.440 18.605 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.855 18.001 0.498 1.00 0.00 H new ATOM 779 N SER A 49 2.078 12.570 0.099 1.00 0.00 N ATOM 780 CA SER A 49 1.566 11.523 -0.826 1.00 0.00 C ATOM 781 C SER A 49 0.201 11.876 -1.435 1.00 0.00 C ATOM 782 O SER A 49 -0.069 11.553 -2.601 1.00 0.00 O ATOM 783 CB SER A 49 1.477 10.187 -0.114 1.00 0.00 C ATOM 784 OG SER A 49 1.200 9.129 -1.002 1.00 0.00 O ATOM 0 H SER A 49 2.118 12.280 1.076 1.00 0.00 H new ATOM 0 HA SER A 49 2.280 11.461 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.416 9.989 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.698 10.234 0.647 1.00 0.00 H new ATOM 0 HG SER A 49 1.212 9.463 -1.923 1.00 0.00 H new ATOM 790 N ALA A 50 -0.661 12.531 -0.638 1.00 0.00 N ATOM 791 CA ALA A 50 -1.946 13.057 -1.126 1.00 0.00 C ATOM 792 C ALA A 50 -1.743 14.125 -2.227 1.00 0.00 C ATOM 793 O ALA A 50 -2.601 14.300 -3.097 1.00 0.00 O ATOM 794 CB ALA A 50 -2.770 13.601 0.052 1.00 0.00 C ATOM 0 H ALA A 50 -0.489 12.709 0.352 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.503 12.240 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.720 13.989 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.958 12.799 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.217 14.402 0.543 1.00 0.00 H new ATOM 800 N GLY A 51 -0.589 14.821 -2.174 1.00 0.00 N ATOM 801 CA GLY A 51 -0.200 15.795 -3.202 1.00 0.00 C ATOM 802 C GLY A 51 0.797 15.253 -4.224 1.00 0.00 C ATOM 803 O GLY A 51 1.143 15.964 -5.169 1.00 0.00 O ATOM 0 H GLY A 51 0.092 14.721 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.095 16.132 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.233 16.669 -2.715 1.00 0.00 H new ATOM 807 N ALA A 52 1.254 13.993 -4.034 1.00 0.00 N ATOM 808 CA ALA A 52 2.192 13.308 -4.957 1.00 0.00 C ATOM 809 C ALA A 52 1.540 13.042 -6.322 1.00 0.00 C ATOM 810 O ALA A 52 0.323 13.135 -6.461 1.00 0.00 O ATOM 811 CB ALA A 52 2.691 11.991 -4.332 1.00 0.00 C ATOM 0 H ALA A 52 0.982 13.421 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 52 3.045 13.967 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.378 11.499 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.206 12.205 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.842 11.336 -4.137 1.00 0.00 H new ATOM 817 N ASP A 53 2.356 12.721 -7.333 1.00 0.00 N ATOM 818 CA ASP A 53 1.858 12.439 -8.697 1.00 0.00 C ATOM 819 C ASP A 53 1.558 10.937 -8.858 1.00 0.00 C ATOM 820 O ASP A 53 2.062 10.113 -8.098 1.00 0.00 O ATOM 821 CB ASP A 53 2.886 12.935 -9.752 1.00 0.00 C ATOM 822 CG ASP A 53 2.403 12.849 -11.218 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.193 13.052 -11.482 1.00 0.00 O ATOM 824 OD2 ASP A 53 3.236 12.638 -12.120 1.00 0.00 O ATOM 0 H ASP A 53 3.369 12.648 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 53 0.925 12.980 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.143 13.970 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.800 12.350 -9.651 1.00 0.00 H new ATOM 829 N THR A 54 0.691 10.604 -9.816 1.00 0.00 N ATOM 830 CA THR A 54 0.321 9.216 -10.135 1.00 0.00 C ATOM 831 C THR A 54 0.799 8.865 -11.563 1.00 0.00 C ATOM 832 O THR A 54 0.175 9.246 -12.553 1.00 0.00 O ATOM 833 CB THR A 54 -1.225 9.037 -9.964 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.608 9.482 -8.643 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.692 7.581 -10.161 1.00 0.00 C ATOM 0 H THR A 54 0.219 11.294 -10.400 1.00 0.00 H new ATOM 0 HA THR A 54 0.811 8.525 -9.449 1.00 0.00 H new ATOM 0 HB THR A 54 -1.705 9.635 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.493 9.902 -8.683 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.773 7.524 -10.029 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.431 7.248 -11.166 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.203 6.940 -9.428 1.00 0.00 H new ATOM 843 N VAL A 55 1.941 8.166 -11.633 1.00 0.00 N ATOM 844 CA VAL A 55 2.643 7.808 -12.887 1.00 0.00 C ATOM 845 C VAL A 55 2.415 6.327 -13.225 1.00 0.00 C ATOM 846 O VAL A 55 2.592 5.474 -12.364 1.00 0.00 O ATOM 847 CB VAL A 55 4.190 8.070 -12.727 1.00 0.00 C ATOM 848 CG1 VAL A 55 5.007 7.594 -13.952 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.457 9.559 -12.430 1.00 0.00 C ATOM 0 H VAL A 55 2.419 7.822 -10.800 1.00 0.00 H new ATOM 0 HA VAL A 55 2.246 8.424 -13.694 1.00 0.00 H new ATOM 0 HB VAL A 55 4.529 7.474 -11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.065 7.800 -13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.863 6.523 -14.091 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.670 8.124 -14.843 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.529 9.722 -12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.078 10.167 -13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.953 9.842 -11.506 1.00 0.00 H new ATOM 859 N ASP A 56 2.022 6.036 -14.474 1.00 0.00 N ATOM 860 CA ASP A 56 1.885 4.655 -14.974 1.00 0.00 C ATOM 861 C ASP A 56 2.987 4.326 -16.006 1.00 0.00 C ATOM 862 O ASP A 56 3.151 5.022 -17.013 1.00 0.00 O ATOM 863 CB ASP A 56 0.488 4.434 -15.580 1.00 0.00 C ATOM 864 CG ASP A 56 0.387 3.088 -16.310 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.260 2.050 -15.645 1.00 0.00 O ATOM 866 OD2 ASP A 56 0.449 3.068 -17.551 1.00 0.00 O ATOM 0 H ASP A 56 1.790 6.748 -15.167 1.00 0.00 H new ATOM 0 HA ASP A 56 2.004 3.977 -14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.261 4.475 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.262 5.242 -16.276 1.00 0.00 H new ATOM 871 N LEU A 57 3.741 3.266 -15.706 1.00 0.00 N ATOM 872 CA LEU A 57 4.851 2.762 -16.533 1.00 0.00 C ATOM 873 C LEU A 57 4.421 1.627 -17.498 1.00 0.00 C ATOM 874 O LEU A 57 5.097 1.412 -18.509 1.00 0.00 O ATOM 875 CB LEU A 57 6.006 2.241 -15.611 1.00 0.00 C ATOM 876 CG LEU A 57 6.704 3.278 -14.657 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.283 4.471 -15.433 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.773 3.760 -13.533 1.00 0.00 C ATOM 0 H LEU A 57 3.596 2.716 -14.859 1.00 0.00 H new ATOM 0 HA LEU A 57 5.191 3.598 -17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.606 1.435 -14.995 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.773 1.803 -16.250 1.00 0.00 H new ATOM 0 HG LEU A 57 7.533 2.748 -14.188 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.756 5.163 -14.736 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.023 4.114 -16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.481 4.983 -15.965 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.303 4.474 -12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.896 4.240 -13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.459 2.908 -12.930 1.00 0.00 H new ATOM 890 N THR A 58 3.301 0.909 -17.221 1.00 0.00 N ATOM 891 CA THR A 58 2.991 -0.362 -17.946 1.00 0.00 C ATOM 892 C THR A 58 2.174 -0.132 -19.232 1.00 0.00 C ATOM 893 O THR A 58 2.124 -1.017 -20.090 1.00 0.00 O ATOM 894 CB THR A 58 2.250 -1.411 -17.041 1.00 0.00 C ATOM 895 OG1 THR A 58 2.194 -2.695 -17.687 1.00 0.00 O ATOM 896 CG2 THR A 58 0.822 -0.982 -16.667 1.00 0.00 C ATOM 0 H THR A 58 2.610 1.176 -16.520 1.00 0.00 H new ATOM 0 HA THR A 58 3.964 -0.768 -18.223 1.00 0.00 H new ATOM 0 HB THR A 58 2.833 -1.475 -16.122 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.297 -2.579 -18.655 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.364 -1.748 -16.042 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.857 -0.040 -16.120 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.231 -0.853 -17.574 1.00 0.00 H new ATOM 904 N THR A 59 1.567 1.059 -19.401 1.00 0.00 N ATOM 905 CA THR A 59 0.651 1.332 -20.536 1.00 0.00 C ATOM 906 C THR A 59 0.808 2.805 -20.985 1.00 0.00 C ATOM 907 O THR A 59 1.725 3.084 -21.768 1.00 0.00 O ATOM 908 CB THR A 59 -0.859 0.953 -20.218 1.00 0.00 C ATOM 909 OG1 THR A 59 -1.224 1.369 -18.893 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.149 -0.559 -20.367 1.00 0.00 C ATOM 0 H THR A 59 1.692 1.850 -18.769 1.00 0.00 H new ATOM 0 HA THR A 59 0.935 0.683 -21.364 1.00 0.00 H new ATOM 0 HB THR A 59 -1.459 1.483 -20.957 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.606 2.066 -18.587 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.196 -0.753 -20.136 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.939 -0.871 -21.390 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.516 -1.120 -19.680 1.00 0.00 H new ATOM 961 N MET B 1 9.315 15.550 -7.066 1.00 0.00 N ATOM 962 CA MET B 1 9.860 15.039 -5.790 1.00 0.00 C ATOM 963 C MET B 1 9.723 13.506 -5.762 1.00 0.00 C ATOM 964 O MET B 1 10.716 12.777 -5.912 1.00 0.00 O ATOM 965 CB MET B 1 9.129 15.711 -4.589 1.00 0.00 C ATOM 966 CG MET B 1 9.700 15.340 -3.214 1.00 0.00 C ATOM 967 SD MET B 1 8.912 16.212 -1.838 1.00 0.00 S ATOM 968 CE MET B 1 9.506 17.890 -2.079 1.00 0.00 C ATOM 0 H1 MET B 1 9.404 16.586 -7.092 1.00 0.00 H new ATOM 0 H2 MET B 1 9.845 15.137 -7.860 1.00 0.00 H new ATOM 0 H3 MET B 1 8.312 15.287 -7.145 1.00 0.00 H new ATOM 0 HA MET B 1 10.918 15.289 -5.705 1.00 0.00 H new ATOM 0 HB2 MET B 1 9.177 16.793 -4.709 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.075 15.433 -4.619 1.00 0.00 H new ATOM 0 HG2 MET B 1 9.590 14.266 -3.063 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.769 15.555 -3.204 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.263 18.491 -1.203 1.00 0.00 H new ATOM 0 HE2 MET B 1 10.586 17.876 -2.222 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.029 18.322 -2.959 1.00 0.00 H new ATOM 978 N TYR B 2 8.478 13.024 -5.599 1.00 0.00 N ATOM 979 CA TYR B 2 8.149 11.590 -5.655 1.00 0.00 C ATOM 980 C TYR B 2 6.716 11.368 -6.138 1.00 0.00 C ATOM 981 O TYR B 2 5.923 12.315 -6.237 1.00 0.00 O ATOM 982 CB TYR B 2 8.423 10.869 -4.306 1.00 0.00 C ATOM 983 CG TYR B 2 7.956 11.591 -3.034 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.617 11.916 -2.818 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.869 11.923 -2.030 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.216 12.551 -1.663 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.469 12.550 -0.882 1.00 0.00 C ATOM 988 CZ TYR B 2 7.140 12.858 -0.700 1.00 0.00 C ATOM 989 OH TYR B 2 6.731 13.472 0.448 1.00 0.00 O ATOM 0 H TYR B 2 7.670 13.621 -5.424 1.00 0.00 H new ATOM 0 HA TYR B 2 8.817 11.137 -6.388 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.943 9.891 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.496 10.695 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.882 11.666 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.913 11.679 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.177 12.806 -1.518 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.193 12.802 -0.121 1.00 0.00 H new ATOM 0 HH TYR B 2 7.504 13.622 1.032 1.00 0.00 H new ATOM 999 N LYS B 3 6.390 10.092 -6.402 1.00 0.00 N ATOM 1000 CA LYS B 3 5.167 9.713 -7.116 1.00 0.00 C ATOM 1001 C LYS B 3 4.863 8.214 -6.965 1.00 0.00 C ATOM 1002 O LYS B 3 5.619 7.466 -6.329 1.00 0.00 O ATOM 1003 CB LYS B 3 5.255 10.149 -8.626 1.00 0.00 C ATOM 1004 CG LYS B 3 6.591 9.870 -9.373 1.00 0.00 C ATOM 1005 CD LYS B 3 6.866 8.378 -9.661 1.00 0.00 C ATOM 1006 CE LYS B 3 8.122 8.168 -10.530 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.373 8.585 -9.853 1.00 0.00 N ATOM 0 H LYS B 3 6.968 9.298 -6.126 1.00 0.00 H new ATOM 0 HA LYS B 3 4.330 10.245 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.454 9.647 -9.169 1.00 0.00 H new ATOM 0 HB3 LYS B 3 5.055 11.219 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.584 10.414 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.414 10.270 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.987 7.845 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.003 7.943 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.197 7.115 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.013 8.730 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.182 8.420 -10.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.319 9.596 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.497 8.032 -8.981 1.00 0.00 H new ATOM 1021 N PHE B 4 3.749 7.797 -7.584 1.00 0.00 N ATOM 1022 CA PHE B 4 3.288 6.407 -7.613 1.00 0.00 C ATOM 1023 C PHE B 4 3.673 5.781 -8.954 1.00 0.00 C ATOM 1024 O PHE B 4 3.337 6.325 -9.997 1.00 0.00 O ATOM 1025 CB PHE B 4 1.751 6.342 -7.411 1.00 0.00 C ATOM 1026 CG PHE B 4 1.299 6.769 -6.015 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.214 5.832 -4.984 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.969 8.104 -5.725 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.815 6.203 -3.723 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.573 8.469 -4.458 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.497 7.520 -3.464 1.00 0.00 C ATOM 0 H PHE B 4 3.132 8.433 -8.089 1.00 0.00 H new ATOM 0 HA PHE B 4 3.761 5.852 -6.803 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.268 6.980 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.411 5.323 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.466 4.800 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.027 8.851 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.750 5.466 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.323 9.498 -4.245 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.185 7.809 -2.471 1.00 0.00 H new ATOM 1041 N GLU B 5 4.395 4.660 -8.915 1.00 0.00 N ATOM 1042 CA GLU B 5 4.813 3.931 -10.123 1.00 0.00 C ATOM 1043 C GLU B 5 3.907 2.720 -10.349 1.00 0.00 C ATOM 1044 O GLU B 5 4.074 1.708 -9.682 1.00 0.00 O ATOM 1045 CB GLU B 5 6.303 3.494 -10.019 1.00 0.00 C ATOM 1046 CG GLU B 5 7.297 4.671 -10.041 1.00 0.00 C ATOM 1047 CD GLU B 5 8.783 4.278 -10.012 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.129 3.216 -9.472 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.620 5.058 -10.501 1.00 0.00 O ATOM 0 H GLU B 5 4.709 4.228 -8.046 1.00 0.00 H new ATOM 0 HA GLU B 5 4.719 4.599 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.443 2.929 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.533 2.820 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.113 5.264 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.092 5.314 -9.185 1.00 0.00 H new ATOM 1056 N ILE B 6 2.986 2.818 -11.328 1.00 0.00 N ATOM 1057 CA ILE B 6 1.981 1.777 -11.614 1.00 0.00 C ATOM 1058 C ILE B 6 2.505 0.894 -12.735 1.00 0.00 C ATOM 1059 O ILE B 6 2.865 1.392 -13.804 1.00 0.00 O ATOM 1060 CB ILE B 6 0.627 2.391 -12.098 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.189 3.540 -11.149 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.470 1.291 -12.214 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -0.771 4.520 -11.777 1.00 0.00 C ATOM 0 H ILE B 6 2.919 3.627 -11.946 1.00 0.00 H new ATOM 0 HA ILE B 6 1.808 1.219 -10.694 1.00 0.00 H new ATOM 0 HB ILE B 6 0.768 2.813 -13.093 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.276 3.108 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE B 6 1.075 4.079 -10.814 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.403 1.742 -12.552 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.152 0.534 -12.931 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.624 0.826 -11.240 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.029 5.292 -11.052 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.303 4.981 -12.647 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.675 3.996 -12.087 1.00 0.00 H new ATOM 1075 N TYR B 7 2.528 -0.398 -12.503 1.00 0.00 N ATOM 1076 CA TYR B 7 2.991 -1.363 -13.491 1.00 0.00 C ATOM 1077 C TYR B 7 2.334 -2.716 -13.238 1.00 0.00 C ATOM 1078 O TYR B 7 1.436 -2.841 -12.408 1.00 0.00 O ATOM 1079 CB TYR B 7 4.550 -1.454 -13.456 1.00 0.00 C ATOM 1080 CG TYR B 7 5.099 -1.821 -12.065 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.361 -0.834 -11.120 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.304 -3.149 -11.687 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.802 -1.159 -9.865 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.739 -3.479 -10.423 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.992 -2.479 -9.514 1.00 0.00 C ATOM 1086 OH TYR B 7 6.428 -2.793 -8.243 1.00 0.00 O ATOM 0 H TYR B 7 2.227 -0.817 -11.623 1.00 0.00 H new ATOM 0 HA TYR B 7 2.703 -1.037 -14.490 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.882 -2.199 -14.180 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.972 -0.498 -13.767 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.214 0.204 -11.380 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.117 -3.936 -12.403 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.002 -0.378 -9.147 1.00 0.00 H new ATOM 0 HE2 TYR B 7 5.880 -4.514 -10.148 1.00 0.00 H new ATOM 0 HH TYR B 7 6.510 -3.766 -8.156 1.00 0.00 H new ATOM 1096 N GLN B 8 2.768 -3.706 -14.005 1.00 0.00 N ATOM 1097 CA GLN B 8 2.521 -5.122 -13.705 1.00 0.00 C ATOM 1098 C GLN B 8 3.863 -5.855 -13.711 1.00 0.00 C ATOM 1099 O GLN B 8 4.868 -5.345 -14.235 1.00 0.00 O ATOM 1100 CB GLN B 8 1.538 -5.798 -14.705 1.00 0.00 C ATOM 1101 CG GLN B 8 2.128 -6.080 -16.105 1.00 0.00 C ATOM 1102 CD GLN B 8 1.225 -6.897 -17.040 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.713 -7.586 -17.930 1.00 0.00 O ATOM 1104 NE2 GLN B 8 -0.077 -6.896 -16.810 1.00 0.00 N ATOM 0 H GLN B 8 3.305 -3.556 -14.859 1.00 0.00 H new ATOM 0 HA GLN B 8 2.044 -5.180 -12.726 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.195 -6.739 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.661 -5.160 -14.818 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.355 -5.128 -16.585 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.073 -6.609 -15.984 1.00 0.00 H new ATOM 0 HE21 GLN B 8 -0.463 -6.316 -16.065 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.696 -7.475 -17.378 1.00 0.00 H new ATOM 1113 N ASP B 9 3.876 -7.054 -13.149 1.00 0.00 N ATOM 1114 CA ASP B 9 5.048 -7.941 -13.196 1.00 0.00 C ATOM 1115 C ASP B 9 4.704 -9.148 -14.079 1.00 0.00 C ATOM 1116 O ASP B 9 3.549 -9.271 -14.508 1.00 0.00 O ATOM 1117 CB ASP B 9 5.461 -8.393 -11.772 1.00 0.00 C ATOM 1118 CG ASP B 9 4.484 -9.415 -11.169 1.00 0.00 C ATOM 1119 OD1 ASP B 9 3.381 -9.017 -10.804 1.00 0.00 O ATOM 1120 OD2 ASP B 9 4.799 -10.625 -11.109 1.00 0.00 O ATOM 0 H ASP B 9 3.080 -7.447 -12.646 1.00 0.00 H new ATOM 0 HA ASP B 9 5.898 -7.406 -13.619 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.460 -8.828 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.517 -7.521 -11.120 1.00 0.00 H new ATOM 1125 N LYS B 10 5.708 -10.046 -14.259 1.00 0.00 N ATOM 1126 CA LYS B 10 5.697 -11.236 -15.154 1.00 0.00 C ATOM 1127 C LYS B 10 4.358 -12.016 -15.142 1.00 0.00 C ATOM 1128 O LYS B 10 3.885 -12.447 -16.201 1.00 0.00 O ATOM 1129 CB LYS B 10 6.912 -12.143 -14.756 1.00 0.00 C ATOM 1130 CG LYS B 10 7.151 -13.426 -15.609 1.00 0.00 C ATOM 1131 CD LYS B 10 6.393 -14.671 -15.081 1.00 0.00 C ATOM 1132 CE LYS B 10 6.656 -15.925 -15.921 1.00 0.00 C ATOM 1133 NZ LYS B 10 5.921 -17.110 -15.400 1.00 0.00 N ATOM 0 H LYS B 10 6.592 -9.956 -13.759 1.00 0.00 H new ATOM 0 HA LYS B 10 5.795 -10.898 -16.186 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.816 -11.535 -14.799 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.781 -12.447 -13.717 1.00 0.00 H new ATOM 0 HG2 LYS B 10 6.843 -13.232 -16.636 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.219 -13.644 -15.632 1.00 0.00 H new ATOM 0 HD2 LYS B 10 6.690 -14.861 -14.049 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.323 -14.463 -15.072 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.359 -15.739 -16.953 1.00 0.00 H new ATOM 0 HE3 LYS B 10 7.725 -16.137 -15.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 6.127 -17.936 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 6.223 -17.304 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 4.899 -16.919 -15.415 1.00 0.00 H new ATOM 1147 N ALA B 11 3.738 -12.143 -13.955 1.00 0.00 N ATOM 1148 CA ALA B 11 2.468 -12.886 -13.772 1.00 0.00 C ATOM 1149 C ALA B 11 1.226 -12.091 -14.274 1.00 0.00 C ATOM 1150 O ALA B 11 0.086 -12.527 -14.069 1.00 0.00 O ATOM 1151 CB ALA B 11 2.319 -13.263 -12.286 1.00 0.00 C ATOM 0 H ALA B 11 4.099 -11.735 -13.093 1.00 0.00 H new ATOM 0 HA ALA B 11 2.512 -13.788 -14.383 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.387 -13.810 -12.141 1.00 0.00 H new ATOM 0 HB2 ALA B 11 3.158 -13.889 -11.984 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.306 -12.357 -11.680 1.00 0.00 H new ATOM 1157 N GLY B 12 1.467 -10.936 -14.940 1.00 0.00 N ATOM 1158 CA GLY B 12 0.427 -10.014 -15.375 1.00 0.00 C ATOM 1159 C GLY B 12 -0.285 -9.355 -14.213 1.00 0.00 C ATOM 1160 O GLY B 12 -1.432 -8.917 -14.346 1.00 0.00 O ATOM 0 H GLY B 12 2.408 -10.628 -15.186 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.869 -9.246 -16.009 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.299 -10.552 -15.985 1.00 0.00 H new ATOM 1164 N GLU B 13 0.410 -9.263 -13.067 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.213 -8.819 -11.800 1.00 0.00 C ATOM 1166 C GLU B 13 0.130 -7.357 -11.536 1.00 0.00 C ATOM 1167 O GLU B 13 1.305 -7.010 -11.392 1.00 0.00 O ATOM 1168 CB GLU B 13 0.229 -9.712 -10.618 1.00 0.00 C ATOM 1169 CG GLU B 13 -0.282 -11.158 -10.682 1.00 0.00 C ATOM 1170 CD GLU B 13 -1.816 -11.242 -10.708 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -2.450 -11.024 -9.654 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -2.393 -11.513 -11.779 1.00 0.00 O ATOM 0 H GLU B 13 1.402 -9.489 -12.988 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.295 -8.913 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.318 -9.727 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.117 -9.259 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.120 -11.642 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.094 -11.711 -9.821 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.898 -6.505 -11.598 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.763 -5.065 -11.353 1.00 0.00 C ATOM 1181 C TYR B 14 -0.395 -4.719 -9.904 1.00 0.00 C ATOM 1182 O TYR B 14 -1.062 -5.125 -8.954 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.039 -4.328 -11.822 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.219 -4.429 -13.348 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.900 -5.502 -13.933 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.649 -3.478 -14.205 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -3.002 -5.620 -15.302 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.762 -3.593 -15.574 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.438 -4.663 -16.113 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.534 -4.792 -17.478 1.00 0.00 O ATOM 0 H TYR B 14 -1.850 -6.795 -11.820 1.00 0.00 H new ATOM 0 HA TYR B 14 0.083 -4.716 -11.945 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.910 -4.752 -11.323 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.983 -3.279 -11.530 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.354 -6.251 -13.301 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.112 -2.640 -13.786 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.523 -6.461 -15.736 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.322 -2.847 -16.220 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.086 -4.035 -17.910 1.00 0.00 H new ATOM 1200 N ARG B 15 0.702 -3.958 -9.793 1.00 0.00 N ATOM 1201 CA ARG B 15 1.227 -3.425 -8.538 1.00 0.00 C ATOM 1202 C ARG B 15 1.717 -2.000 -8.806 1.00 0.00 C ATOM 1203 O ARG B 15 2.374 -1.754 -9.826 1.00 0.00 O ATOM 1204 CB ARG B 15 2.417 -4.262 -7.939 1.00 0.00 C ATOM 1205 CG ARG B 15 2.651 -5.693 -8.500 1.00 0.00 C ATOM 1206 CD ARG B 15 1.807 -6.782 -7.815 1.00 0.00 C ATOM 1207 NE ARG B 15 2.136 -8.105 -8.364 1.00 0.00 N ATOM 1208 CZ ARG B 15 2.241 -9.253 -7.679 1.00 0.00 C ATOM 1209 NH1 ARG B 15 1.966 -9.309 -6.392 1.00 0.00 N ATOM 1210 NH2 ARG B 15 2.638 -10.350 -8.308 1.00 0.00 N ATOM 0 H ARG B 15 1.263 -3.691 -10.602 1.00 0.00 H new ATOM 0 HA ARG B 15 0.422 -3.463 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.334 -3.691 -8.084 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.260 -4.345 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.429 -5.694 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.706 -5.945 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG B 15 1.990 -6.771 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG B 15 0.747 -6.574 -7.960 1.00 0.00 H new ATOM 0 HE ARG B 15 2.301 -8.155 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.667 -8.469 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG B 15 2.052 -10.193 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.860 -10.315 -9.303 1.00 0.00 H new ATOM 0 HH22 ARG B 15 2.722 -11.229 -7.797 1.00 0.00 H new ATOM 1224 N PHE B 16 1.419 -1.085 -7.894 1.00 0.00 N ATOM 1225 CA PHE B 16 2.034 0.243 -7.877 1.00 0.00 C ATOM 1226 C PHE B 16 3.033 0.348 -6.718 1.00 0.00 C ATOM 1227 O PHE B 16 3.035 -0.484 -5.800 1.00 0.00 O ATOM 1228 CB PHE B 16 0.967 1.379 -7.840 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.141 1.245 -6.788 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.039 1.697 -5.481 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.374 0.680 -7.123 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.981 1.600 -4.551 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.388 0.583 -6.190 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.187 1.036 -4.903 1.00 0.00 C ATOM 0 H PHE B 16 0.745 -1.238 -7.144 1.00 0.00 H new ATOM 0 HA PHE B 16 2.584 0.377 -8.809 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.482 2.325 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.499 1.439 -8.822 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.986 2.128 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.537 0.314 -8.126 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.831 1.968 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.338 0.152 -6.468 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.976 0.948 -4.171 1.00 0.00 H new ATOM 1244 N ARG B 17 3.920 1.342 -6.834 1.00 0.00 N ATOM 1245 CA ARG B 17 4.883 1.736 -5.796 1.00 0.00 C ATOM 1246 C ARG B 17 4.515 3.131 -5.300 1.00 0.00 C ATOM 1247 O ARG B 17 3.726 3.830 -5.934 1.00 0.00 O ATOM 1248 CB ARG B 17 6.333 1.799 -6.368 1.00 0.00 C ATOM 1249 CG ARG B 17 6.883 0.474 -6.910 1.00 0.00 C ATOM 1250 CD ARG B 17 8.300 0.613 -7.488 1.00 0.00 C ATOM 1251 NE ARG B 17 8.732 -0.618 -8.184 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.206 -0.682 -9.442 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.337 0.412 -10.182 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.552 -1.848 -9.952 1.00 0.00 N ATOM 0 H ARG B 17 3.991 1.912 -7.677 1.00 0.00 H new ATOM 0 HA ARG B 17 4.848 0.999 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.358 2.538 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG B 17 7.000 2.156 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.892 -0.266 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.214 0.097 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.329 1.452 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.000 0.841 -6.684 1.00 0.00 H new ATOM 0 HE ARG B 17 8.665 -1.494 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.077 1.321 -9.799 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.698 0.344 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.460 -2.696 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.912 -1.901 -10.905 1.00 0.00 H new ATOM 1268 N PHE B 18 5.088 3.515 -4.166 1.00 0.00 N ATOM 1269 CA PHE B 18 5.253 4.917 -3.799 1.00 0.00 C ATOM 1270 C PHE B 18 6.735 5.120 -3.512 1.00 0.00 C ATOM 1271 O PHE B 18 7.353 4.363 -2.740 1.00 0.00 O ATOM 1272 CB PHE B 18 4.391 5.313 -2.590 1.00 0.00 C ATOM 1273 CG PHE B 18 4.461 6.780 -2.186 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.394 7.789 -3.146 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.573 7.148 -0.849 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.446 9.109 -2.781 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.624 8.470 -0.483 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.564 9.450 -1.447 1.00 0.00 C ATOM 0 H PHE B 18 5.452 2.862 -3.473 1.00 0.00 H new ATOM 0 HA PHE B 18 4.917 5.559 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.353 5.064 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.692 4.705 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.300 7.527 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.620 6.383 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.395 9.881 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.711 8.740 0.559 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.609 10.490 -1.160 1.00 0.00 H new ATOM 1288 N LYS B 19 7.294 6.119 -4.177 1.00 0.00 N ATOM 1289 CA LYS B 19 8.728 6.389 -4.199 1.00 0.00 C ATOM 1290 C LYS B 19 9.103 7.487 -3.202 1.00 0.00 C ATOM 1291 O LYS B 19 8.248 8.031 -2.489 1.00 0.00 O ATOM 1292 CB LYS B 19 9.136 6.779 -5.648 1.00 0.00 C ATOM 1293 CG LYS B 19 8.843 5.667 -6.674 1.00 0.00 C ATOM 1294 CD LYS B 19 9.614 4.361 -6.334 1.00 0.00 C ATOM 1295 CE LYS B 19 11.129 4.506 -6.554 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.457 4.581 -7.999 1.00 0.00 N ATOM 0 H LYS B 19 6.752 6.782 -4.731 1.00 0.00 H new ATOM 0 HA LYS B 19 9.271 5.494 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.603 7.684 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.200 7.015 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.772 5.464 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.123 6.007 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.424 4.089 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.235 3.546 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.488 5.403 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.647 3.659 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.463 4.356 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.874 3.898 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.265 5.541 -8.349 1.00 0.00 H new ATOM 1310 N ALA B 20 10.401 7.799 -3.181 1.00 0.00 N ATOM 1311 CA ALA B 20 10.991 8.840 -2.337 1.00 0.00 C ATOM 1312 C ALA B 20 11.867 9.740 -3.218 1.00 0.00 C ATOM 1313 O ALA B 20 12.247 9.334 -4.321 1.00 0.00 O ATOM 1314 CB ALA B 20 11.796 8.207 -1.188 1.00 0.00 C ATOM 0 H ALA B 20 11.088 7.322 -3.765 1.00 0.00 H new ATOM 0 HA ALA B 20 10.209 9.446 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.228 8.994 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.136 7.588 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.594 7.590 -1.600 1.00 0.00 H new ATOM 1320 N SER B 21 12.120 10.968 -2.743 1.00 0.00 N ATOM 1321 CA SER B 21 12.953 11.986 -3.424 1.00 0.00 C ATOM 1322 C SER B 21 14.308 11.449 -3.973 1.00 0.00 C ATOM 1323 O SER B 21 14.725 11.825 -5.075 1.00 0.00 O ATOM 1324 CB SER B 21 13.201 13.155 -2.450 1.00 0.00 C ATOM 1325 OG SER B 21 11.984 13.605 -1.877 1.00 0.00 O ATOM 0 H SER B 21 11.744 11.295 -1.853 1.00 0.00 H new ATOM 0 HA SER B 21 12.396 12.311 -4.303 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.883 12.838 -1.661 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.685 13.977 -2.978 1.00 0.00 H new ATOM 0 HG SER B 21 12.166 14.345 -1.262 1.00 0.00 H new ATOM 1331 N ASN B 22 14.969 10.548 -3.215 1.00 0.00 N ATOM 1332 CA ASN B 22 16.306 10.011 -3.587 1.00 0.00 C ATOM 1333 C ASN B 22 16.191 8.725 -4.450 1.00 0.00 C ATOM 1334 O ASN B 22 17.203 8.136 -4.836 1.00 0.00 O ATOM 1335 CB ASN B 22 17.166 9.783 -2.309 1.00 0.00 C ATOM 1336 CG ASN B 22 16.905 8.464 -1.600 1.00 0.00 C ATOM 1337 OD1 ASN B 22 15.983 8.347 -0.798 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.730 7.464 -1.891 1.00 0.00 N ATOM 0 H ASN B 22 14.602 10.174 -2.340 1.00 0.00 H new ATOM 0 HA ASN B 22 16.812 10.750 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.220 9.832 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN B 22 16.980 10.599 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.610 6.556 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.484 7.604 -2.564 1.00 0.00 H new ATOM 1345 N GLY B 23 14.950 8.315 -4.760 1.00 0.00 N ATOM 1346 CA GLY B 23 14.680 7.135 -5.595 1.00 0.00 C ATOM 1347 C GLY B 23 14.513 5.843 -4.812 1.00 0.00 C ATOM 1348 O GLY B 23 14.687 4.758 -5.372 1.00 0.00 O ATOM 0 H GLY B 23 14.108 8.792 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.775 7.314 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.497 7.013 -6.306 1.00 0.00 H new ATOM 1352 N GLU B 24 14.174 5.960 -3.519 1.00 0.00 N ATOM 1353 CA GLU B 24 13.821 4.798 -2.678 1.00 0.00 C ATOM 1354 C GLU B 24 12.352 4.424 -2.887 1.00 0.00 C ATOM 1355 O GLU B 24 11.553 5.265 -3.270 1.00 0.00 O ATOM 1356 CB GLU B 24 14.053 5.085 -1.170 1.00 0.00 C ATOM 1357 CG GLU B 24 15.519 5.209 -0.751 1.00 0.00 C ATOM 1358 CD GLU B 24 16.375 3.982 -1.115 1.00 0.00 C ATOM 1359 OE1 GLU B 24 16.189 2.911 -0.499 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.245 4.088 -2.005 1.00 0.00 O ATOM 0 H GLU B 24 14.136 6.853 -3.027 1.00 0.00 H new ATOM 0 HA GLU B 24 14.469 3.974 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.537 6.009 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU B 24 13.591 4.287 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.948 6.093 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU B 24 15.567 5.367 0.326 1.00 0.00 H new ATOM 1367 N THR B 25 12.019 3.153 -2.642 1.00 0.00 N ATOM 1368 CA THR B 25 10.630 2.690 -2.548 1.00 0.00 C ATOM 1369 C THR B 25 10.346 2.325 -1.084 1.00 0.00 C ATOM 1370 O THR B 25 11.186 1.726 -0.402 1.00 0.00 O ATOM 1371 CB THR B 25 10.375 1.462 -3.482 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.780 1.778 -4.816 1.00 0.00 O ATOM 1373 CG2 THR B 25 8.905 1.000 -3.487 1.00 0.00 C ATOM 0 H THR B 25 12.707 2.413 -2.503 1.00 0.00 H new ATOM 0 HA THR B 25 9.958 3.484 -2.876 1.00 0.00 H new ATOM 0 HB THR B 25 10.968 0.637 -3.086 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.772 0.964 -5.362 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.795 0.145 -4.154 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.610 0.713 -2.478 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.269 1.815 -3.833 1.00 0.00 H new ATOM 1381 N MET B 26 9.171 2.709 -0.609 1.00 0.00 N ATOM 1382 CA MET B 26 8.770 2.522 0.795 1.00 0.00 C ATOM 1383 C MET B 26 7.585 1.546 0.907 1.00 0.00 C ATOM 1384 O MET B 26 7.477 0.813 1.895 1.00 0.00 O ATOM 1385 CB MET B 26 8.510 3.906 1.445 1.00 0.00 C ATOM 1386 CG MET B 26 7.679 4.883 0.598 1.00 0.00 C ATOM 1387 SD MET B 26 6.011 4.303 0.252 1.00 0.00 S ATOM 1388 CE MET B 26 5.390 4.087 1.905 1.00 0.00 C ATOM 0 H MET B 26 8.459 3.162 -1.182 1.00 0.00 H new ATOM 0 HA MET B 26 9.578 2.054 1.356 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.001 3.752 2.397 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.470 4.371 1.668 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.621 5.840 1.116 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.195 5.062 -0.345 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.531 3.416 1.886 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.171 3.659 2.534 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.087 5.053 2.309 1.00 0.00 H new ATOM 1398 N PHE B 27 6.708 1.532 -0.108 1.00 0.00 N ATOM 1399 CA PHE B 27 5.718 0.458 -0.276 1.00 0.00 C ATOM 1400 C PHE B 27 5.526 0.169 -1.763 1.00 0.00 C ATOM 1401 O PHE B 27 5.800 1.016 -2.627 1.00 0.00 O ATOM 1402 CB PHE B 27 4.338 0.745 0.444 1.00 0.00 C ATOM 1403 CG PHE B 27 3.255 1.446 -0.392 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.406 0.727 -1.241 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.090 2.811 -0.324 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.454 1.384 -1.995 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.147 3.467 -1.055 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.319 2.765 -1.899 1.00 0.00 C ATOM 0 H PHE B 27 6.665 2.255 -0.827 1.00 0.00 H new ATOM 0 HA PHE B 27 6.115 -0.428 0.220 1.00 0.00 H new ATOM 0 HB2 PHE B 27 3.934 -0.204 0.796 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.535 1.355 1.326 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.496 -0.347 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.731 3.381 0.332 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.813 0.825 -2.660 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.049 4.539 -0.972 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.571 3.281 -2.482 1.00 0.00 H new ATOM 1418 N SER B 28 5.004 -1.028 -2.007 1.00 0.00 N ATOM 1419 CA SER B 28 4.654 -1.529 -3.331 1.00 0.00 C ATOM 1420 C SER B 28 3.869 -2.825 -3.199 1.00 0.00 C ATOM 1421 O SER B 28 3.524 -3.234 -2.093 1.00 0.00 O ATOM 1422 CB SER B 28 5.929 -1.748 -4.190 1.00 0.00 C ATOM 1423 OG SER B 28 6.832 -2.648 -3.569 1.00 0.00 O ATOM 0 H SER B 28 4.806 -1.698 -1.264 1.00 0.00 H new ATOM 0 HA SER B 28 4.033 -0.788 -3.834 1.00 0.00 H new ATOM 0 HB2 SER B 28 5.646 -2.134 -5.169 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.425 -0.792 -4.356 1.00 0.00 H new ATOM 0 HG SER B 28 7.622 -2.764 -4.138 1.00 0.00 H new ATOM 1429 N SER B 29 3.528 -3.414 -4.347 1.00 0.00 N ATOM 1430 CA SER B 29 3.244 -4.862 -4.464 1.00 0.00 C ATOM 1431 C SER B 29 1.960 -5.262 -3.725 1.00 0.00 C ATOM 1432 O SER B 29 1.879 -6.340 -3.120 1.00 0.00 O ATOM 1433 CB SER B 29 4.477 -5.694 -3.984 1.00 0.00 C ATOM 1434 OG SER B 29 5.663 -5.290 -4.647 1.00 0.00 O ATOM 0 H SER B 29 3.438 -2.907 -5.228 1.00 0.00 H new ATOM 0 HA SER B 29 3.069 -5.087 -5.516 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.601 -5.575 -2.908 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.298 -6.753 -4.169 1.00 0.00 H new ATOM 0 HG SER B 29 5.982 -4.447 -4.262 1.00 0.00 H new ATOM 1440 N GLU B 30 0.945 -4.391 -3.805 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.362 -4.657 -3.201 1.00 0.00 C ATOM 1442 C GLU B 30 -1.116 -5.735 -3.994 1.00 0.00 C ATOM 1443 O GLU B 30 -1.860 -6.516 -3.402 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.192 -3.347 -3.049 1.00 0.00 C ATOM 1445 CG GLU B 30 -1.923 -2.810 -4.300 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.020 -2.591 -5.522 1.00 0.00 C ATOM 1447 OE1 GLU B 30 0.073 -1.997 -5.370 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -1.400 -3.022 -6.629 1.00 0.00 O ATOM 0 H GLU B 30 1.007 -3.493 -4.285 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.204 -5.045 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.937 -3.510 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.522 -2.565 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -2.715 -3.509 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -2.404 -1.866 -4.046 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.905 -5.777 -5.334 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.499 -6.805 -6.181 1.00 0.00 C ATOM 1457 C GLY B 31 -3.009 -6.695 -6.198 1.00 0.00 C ATOM 1458 O GLY B 31 -3.701 -7.691 -5.977 1.00 0.00 O ATOM 0 H GLY B 31 -0.326 -5.105 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.113 -6.711 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.208 -7.791 -5.819 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.522 -5.479 -6.492 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.917 -5.117 -6.186 1.00 0.00 C ATOM 1464 C TYR B 32 -5.886 -5.877 -7.117 1.00 0.00 C ATOM 1465 O TYR B 32 -6.633 -6.746 -6.651 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.120 -3.576 -6.265 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.465 -3.079 -5.696 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.935 -3.532 -4.455 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.258 -2.165 -6.386 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.139 -3.089 -3.936 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.460 -1.720 -5.867 1.00 0.00 C ATOM 1472 CZ TYR B 32 -8.895 -2.183 -4.645 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.095 -1.741 -4.131 1.00 0.00 O ATOM 0 H TYR B 32 -2.988 -4.735 -6.941 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.141 -5.417 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.309 -3.087 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.043 -3.265 -7.307 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.345 -4.241 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -6.927 -1.796 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.484 -3.452 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.057 -1.010 -6.420 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.503 -1.104 -4.754 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.835 -5.578 -8.431 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.652 -6.282 -9.439 1.00 0.00 C ATOM 1485 C LYS B 33 -6.168 -5.947 -10.856 1.00 0.00 C ATOM 1486 O LYS B 33 -5.562 -6.780 -11.527 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.170 -5.937 -9.279 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.127 -6.704 -10.230 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.033 -8.245 -10.077 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.333 -8.735 -8.643 1.00 0.00 C ATOM 1491 NZ LYS B 33 -9.177 -10.211 -8.510 1.00 0.00 N ATOM 0 H LYS B 33 -5.234 -4.851 -8.819 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.534 -7.353 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.466 -6.141 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.302 -4.867 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.152 -6.388 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.899 -6.433 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.732 -8.715 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.033 -8.572 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.664 -8.236 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.349 -8.452 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.388 -10.496 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.834 -10.689 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.200 -10.479 -8.746 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.431 -4.710 -11.290 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.185 -4.259 -12.678 1.00 0.00 C ATOM 1507 C ALA B 34 -5.618 -2.837 -12.663 1.00 0.00 C ATOM 1508 O ALA B 34 -5.451 -2.272 -11.580 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.494 -4.328 -13.473 1.00 0.00 C ATOM 0 H ALA B 34 -6.823 -3.984 -10.690 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.455 -4.910 -13.160 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.316 -3.996 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.860 -5.355 -13.483 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.238 -3.682 -13.006 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.324 -2.255 -13.845 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.797 -0.876 -13.964 1.00 0.00 C ATOM 1517 C LYS B 35 -5.823 0.159 -13.462 1.00 0.00 C ATOM 1518 O LYS B 35 -5.495 0.990 -12.622 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.420 -0.638 -15.464 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.315 0.822 -15.963 1.00 0.00 C ATOM 1521 CD LYS B 35 -3.137 1.601 -15.365 1.00 0.00 C ATOM 1522 CE LYS B 35 -3.060 3.039 -15.912 1.00 0.00 C ATOM 1523 NZ LYS B 35 -2.793 3.085 -17.370 1.00 0.00 N ATOM 0 H LYS B 35 -5.444 -2.725 -14.742 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.913 -0.754 -13.338 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.462 -1.124 -15.649 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.160 -1.149 -16.080 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.221 0.818 -17.049 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.242 1.344 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -3.235 1.631 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -2.207 1.078 -15.587 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.998 3.553 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -2.274 3.582 -15.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -2.342 3.990 -17.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.160 2.302 -17.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.689 2.995 -17.890 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.063 0.075 -13.970 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.162 0.982 -13.580 1.00 0.00 C ATOM 1539 C ALA B 36 -8.427 0.906 -12.071 1.00 0.00 C ATOM 1540 O ALA B 36 -8.633 1.931 -11.413 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.429 0.662 -14.381 1.00 0.00 C ATOM 0 H ALA B 36 -7.335 -0.622 -14.663 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.863 2.004 -13.811 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.229 1.339 -14.082 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.228 0.786 -15.445 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.732 -0.367 -14.186 1.00 0.00 H new ATOM 1547 N SER B 37 -8.356 -0.323 -11.536 1.00 0.00 N ATOM 1548 CA SER B 37 -8.519 -0.593 -10.106 1.00 0.00 C ATOM 1549 C SER B 37 -7.351 0.011 -9.306 1.00 0.00 C ATOM 1550 O SER B 37 -7.547 0.512 -8.196 1.00 0.00 O ATOM 1551 CB SER B 37 -8.587 -2.120 -9.881 1.00 0.00 C ATOM 1552 OG SER B 37 -9.529 -2.726 -10.752 1.00 0.00 O ATOM 0 H SER B 37 -8.182 -1.161 -12.091 1.00 0.00 H new ATOM 0 HA SER B 37 -9.444 -0.132 -9.758 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.602 -2.558 -10.044 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.860 -2.326 -8.846 1.00 0.00 H new ATOM 0 HG SER B 37 -9.789 -3.601 -10.395 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.142 -0.024 -9.911 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.908 0.471 -9.287 1.00 0.00 C ATOM 1560 C ALA B 38 -4.981 1.990 -9.070 1.00 0.00 C ATOM 1561 O ALA B 38 -4.645 2.471 -7.993 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.675 0.091 -10.127 1.00 0.00 C ATOM 0 H ALA B 38 -6.001 -0.399 -10.849 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.806 -0.005 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.774 0.469 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.613 -0.994 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.763 0.528 -11.122 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.422 2.738 -10.105 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.662 4.197 -10.012 1.00 0.00 C ATOM 1570 C ILE B 39 -6.674 4.527 -8.906 1.00 0.00 C ATOM 1571 O ILE B 39 -6.404 5.406 -8.095 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.118 4.814 -11.408 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.892 5.035 -12.348 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.898 6.142 -11.260 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.096 3.790 -12.663 1.00 0.00 C ATOM 0 H ILE B 39 -5.622 2.350 -11.027 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.712 4.661 -9.747 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.796 4.083 -11.849 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.244 5.469 -13.284 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.227 5.766 -11.888 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.180 6.510 -12.246 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.796 5.972 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.268 6.880 -10.763 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.266 4.046 -13.322 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.707 3.363 -11.739 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -4.740 3.062 -13.156 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.817 3.803 -8.873 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.874 4.015 -7.849 1.00 0.00 C ATOM 1589 C HIS B 40 -8.321 3.824 -6.429 1.00 0.00 C ATOM 1590 O HIS B 40 -8.670 4.587 -5.499 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.097 3.089 -8.094 1.00 0.00 C ATOM 1592 CG HIS B 40 -11.038 3.581 -9.167 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.383 3.782 -8.947 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.822 3.923 -10.458 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.945 4.219 -10.049 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -12.023 4.314 -10.979 1.00 0.00 N ATOM 0 H HIS B 40 -8.034 3.065 -9.543 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.213 5.047 -7.942 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.739 2.097 -8.367 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.651 2.982 -7.161 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.877 3.893 -10.979 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.991 4.460 -10.171 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.178 4.629 -11.937 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.440 2.820 -6.271 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.707 2.606 -5.032 1.00 0.00 C ATOM 1607 C ALA B 41 -5.877 3.849 -4.694 1.00 0.00 C ATOM 1608 O ALA B 41 -6.095 4.464 -3.665 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.832 1.347 -5.140 1.00 0.00 C ATOM 0 H ALA B 41 -7.224 2.142 -7.002 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.413 2.444 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.290 1.200 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.464 0.480 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.121 1.467 -5.957 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.986 4.255 -5.603 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.131 5.449 -5.427 1.00 0.00 C ATOM 1617 C ILE B 42 -4.971 6.718 -5.169 1.00 0.00 C ATOM 1618 O ILE B 42 -4.520 7.631 -4.470 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.208 5.657 -6.670 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.325 4.395 -6.894 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.325 6.924 -6.529 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.677 4.329 -8.248 1.00 0.00 C ATOM 0 H ILE B 42 -4.831 3.769 -6.486 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.508 5.275 -4.550 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.847 5.806 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.548 4.369 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.940 3.506 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.699 7.031 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.962 7.802 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.692 6.830 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.080 3.420 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.447 4.321 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.033 5.198 -8.386 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.218 6.736 -5.678 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.124 7.876 -5.494 1.00 0.00 C ATOM 1636 C GLU B 43 -7.456 8.042 -4.010 1.00 0.00 C ATOM 1637 O GLU B 43 -7.550 9.177 -3.546 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.411 7.751 -6.346 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.220 8.006 -7.863 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.524 7.866 -8.677 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.412 8.737 -8.549 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.682 6.891 -9.438 1.00 0.00 O ATOM 0 H GLU B 43 -6.617 5.970 -6.220 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.609 8.770 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.823 6.751 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.151 8.455 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.816 9.008 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.481 7.305 -8.251 1.00 0.00 H new ATOM 1649 N SER B 44 -7.558 6.903 -3.268 1.00 0.00 N ATOM 1650 CA SER B 44 -7.689 6.906 -1.787 1.00 0.00 C ATOM 1651 C SER B 44 -6.583 7.719 -1.123 1.00 0.00 C ATOM 1652 O SER B 44 -6.835 8.437 -0.137 1.00 0.00 O ATOM 1653 CB SER B 44 -7.627 5.472 -1.230 1.00 0.00 C ATOM 1654 OG SER B 44 -8.848 4.781 -1.438 1.00 0.00 O ATOM 0 H SER B 44 -7.552 5.969 -3.677 1.00 0.00 H new ATOM 0 HA SER B 44 -8.655 7.359 -1.562 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.814 4.929 -1.711 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.403 5.504 -0.164 1.00 0.00 H new ATOM 0 HG SER B 44 -9.140 4.372 -0.597 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.358 7.586 -1.659 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.194 8.226 -1.069 1.00 0.00 C ATOM 1662 C ILE B 45 -4.329 9.743 -1.223 1.00 0.00 C ATOM 1663 O ILE B 45 -4.097 10.507 -0.278 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.803 7.760 -1.669 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.785 6.245 -2.043 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.710 8.034 -0.628 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.769 5.291 -0.865 1.00 0.00 C ATOM 0 H ILE B 45 -5.159 7.040 -2.498 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.181 7.922 -0.022 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.630 8.320 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.661 6.027 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.908 6.050 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.744 7.719 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.680 9.100 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.928 7.477 0.283 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.757 4.264 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.879 5.473 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.659 5.450 -0.256 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.743 10.154 -2.433 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.886 11.580 -2.805 1.00 0.00 C ATOM 1681 C LYS B 46 -5.946 12.292 -1.945 1.00 0.00 C ATOM 1682 O LYS B 46 -5.846 13.501 -1.705 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.217 11.756 -4.332 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.595 10.716 -5.315 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.095 10.381 -5.066 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.145 11.547 -5.309 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.176 12.002 -6.719 1.00 0.00 N ATOM 0 H LYS B 46 -4.989 9.510 -3.185 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.921 12.048 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.300 11.728 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -4.889 12.750 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.172 9.793 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.702 11.092 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.977 10.039 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.807 9.552 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.413 12.376 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.130 11.249 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.381 12.650 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.096 11.180 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.072 12.496 -6.905 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.940 11.514 -1.480 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.104 12.043 -0.733 1.00 0.00 C ATOM 1703 C ARG B 47 -7.676 12.713 0.594 1.00 0.00 C ATOM 1704 O ARG B 47 -8.018 13.873 0.843 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.160 10.939 -0.404 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.671 10.076 -1.572 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.254 10.866 -2.760 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.690 9.949 -3.836 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.081 10.300 -5.069 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -11.110 11.575 -5.443 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.453 9.358 -5.921 1.00 0.00 N ATOM 0 H ARG B 47 -6.963 10.502 -1.609 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.557 12.782 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.729 10.273 0.343 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.020 11.423 0.059 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.849 9.458 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.437 9.398 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.099 11.467 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.505 11.557 -3.146 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.693 8.953 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.832 12.305 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.410 11.823 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.440 8.379 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.753 9.611 -6.862 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.909 11.967 1.426 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.640 12.377 2.836 1.00 0.00 C ATOM 1727 C ASN B 48 -5.575 11.487 3.531 1.00 0.00 C ATOM 1728 O ASN B 48 -5.432 11.538 4.746 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.978 12.387 3.656 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.923 13.173 4.974 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.587 12.503 6.066 1.00 0.00 O flip ATOM 1732 ND2 ASN B 48 -8.179 14.373 5.006 1.00 0.00 N flip ATOM 0 H ASN B 48 -6.468 11.088 1.155 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.225 13.384 2.805 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.766 12.808 3.032 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.260 11.357 3.875 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -8.435 14.863 4.149 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.136 14.880 5.890 1.00 0.00 H new ATOM 1739 N SER B 49 -4.800 10.700 2.770 1.00 0.00 N ATOM 1740 CA SER B 49 -3.867 9.702 3.358 1.00 0.00 C ATOM 1741 C SER B 49 -2.703 10.348 4.129 1.00 0.00 C ATOM 1742 O SER B 49 -2.253 9.811 5.150 1.00 0.00 O ATOM 1743 CB SER B 49 -3.323 8.793 2.274 1.00 0.00 C ATOM 1744 OG SER B 49 -2.633 7.687 2.798 1.00 0.00 O ATOM 0 H SER B 49 -4.794 10.728 1.750 1.00 0.00 H new ATOM 0 HA SER B 49 -4.444 9.122 4.078 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.146 8.442 1.651 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.654 9.362 1.628 1.00 0.00 H new ATOM 0 HG SER B 49 -2.600 7.755 3.775 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.218 11.496 3.629 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.206 12.301 4.331 1.00 0.00 C ATOM 1752 C ALA B 50 -1.727 12.817 5.695 1.00 0.00 C ATOM 1753 O ALA B 50 -0.941 13.044 6.624 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.740 13.455 3.433 1.00 0.00 C ATOM 0 H ALA B 50 -2.513 11.889 2.735 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.350 11.662 4.547 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.009 14.046 3.960 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.306 13.052 2.518 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.591 14.088 3.183 1.00 0.00 H new ATOM 1760 N GLY B 51 -3.059 12.988 5.792 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.725 13.370 7.044 1.00 0.00 C ATOM 1762 C GLY B 51 -4.366 12.198 7.786 1.00 0.00 C ATOM 1763 O GLY B 51 -4.895 12.388 8.885 1.00 0.00 O ATOM 0 H GLY B 51 -3.698 12.865 5.007 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.998 13.849 7.700 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.493 14.112 6.824 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.320 10.984 7.184 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.862 9.742 7.791 1.00 0.00 C ATOM 1769 C ALA B 52 -4.067 9.336 9.042 1.00 0.00 C ATOM 1770 O ALA B 52 -2.973 9.841 9.275 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.856 8.598 6.761 1.00 0.00 C ATOM 0 H ALA B 52 -3.906 10.838 6.263 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.889 9.940 8.097 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.256 7.694 7.219 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.473 8.875 5.906 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.835 8.414 6.427 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.625 8.426 9.854 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.962 7.961 11.088 1.00 0.00 C ATOM 1779 C ASP B 53 -3.109 6.715 10.797 1.00 0.00 C ATOM 1780 O ASP B 53 -3.314 6.037 9.793 1.00 0.00 O ATOM 1781 CB ASP B 53 -5.008 7.687 12.201 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.370 7.555 13.599 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -4.037 8.595 14.210 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.169 6.426 14.081 1.00 0.00 O ATOM 0 H ASP B 53 -5.533 7.996 9.681 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.297 8.746 11.448 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.738 8.496 12.215 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.551 6.771 11.966 1.00 0.00 H new ATOM 1789 N THR B 54 -2.121 6.456 11.659 1.00 0.00 N ATOM 1790 CA THR B 54 -1.230 5.291 11.551 1.00 0.00 C ATOM 1791 C THR B 54 -1.444 4.367 12.768 1.00 0.00 C ATOM 1792 O THR B 54 -0.958 4.638 13.869 1.00 0.00 O ATOM 1793 CB THR B 54 0.257 5.761 11.426 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.367 6.690 10.326 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.241 4.600 11.196 1.00 0.00 C ATOM 0 H THR B 54 -1.913 7.053 12.460 1.00 0.00 H new ATOM 0 HA THR B 54 -1.467 4.723 10.651 1.00 0.00 H new ATOM 0 HB THR B 54 0.525 6.230 12.373 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.296 6.990 10.243 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.255 4.992 11.118 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.185 3.904 12.033 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.981 4.080 10.274 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.221 3.298 12.547 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.642 2.332 13.584 1.00 0.00 C ATOM 1805 C VAL B 55 -1.838 1.026 13.459 1.00 0.00 C ATOM 1806 O VAL B 55 -1.732 0.488 12.360 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.171 1.999 13.420 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.649 0.939 14.441 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -5.032 3.275 13.507 1.00 0.00 C ATOM 0 H VAL B 55 -2.586 3.071 11.622 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.461 2.780 14.561 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.298 1.570 12.426 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.710 0.741 14.290 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.084 0.017 14.300 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.490 1.311 15.453 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -6.084 3.013 13.390 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.882 3.750 14.477 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.740 3.966 12.716 1.00 0.00 H new ATOM 1819 N ASP B 56 -1.277 0.536 14.579 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.577 -0.769 14.641 1.00 0.00 C ATOM 1821 C ASP B 56 -1.405 -1.797 15.445 1.00 0.00 C ATOM 1822 O ASP B 56 -1.757 -1.565 16.609 1.00 0.00 O ATOM 1823 CB ASP B 56 0.828 -0.588 15.258 1.00 0.00 C ATOM 1824 CG ASP B 56 1.634 -1.902 15.360 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.466 -2.642 16.348 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.446 -2.201 14.464 1.00 0.00 O ATOM 0 H ASP B 56 -1.294 1.031 15.471 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.463 -1.153 13.627 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.390 0.127 14.657 1.00 0.00 H new ATOM 0 HB3 ASP B 56 0.725 -0.157 16.254 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.727 -2.910 14.783 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.506 -4.030 15.344 1.00 0.00 C ATOM 1833 C LEU B 57 -1.615 -5.149 15.923 1.00 0.00 C ATOM 1834 O LEU B 57 -2.076 -5.907 16.781 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.439 -4.633 14.242 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.550 -3.693 13.649 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.452 -3.102 14.747 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.957 -2.578 12.769 1.00 0.00 C ATOM 0 H LEU B 57 -1.448 -3.067 13.815 1.00 0.00 H new ATOM 0 HA LEU B 57 -3.096 -3.623 16.165 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.812 -4.976 13.419 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.928 -5.514 14.658 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.172 -4.320 13.011 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.205 -2.459 14.292 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.944 -3.910 15.288 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.847 -2.518 15.440 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.762 -1.954 12.381 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -3.278 -1.967 13.364 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.410 -3.023 11.938 1.00 0.00 H new ATOM 1850 N THR B 58 -0.340 -5.242 15.492 1.00 0.00 N ATOM 1851 CA THR B 58 0.514 -6.409 15.830 1.00 0.00 C ATOM 1852 C THR B 58 1.212 -6.224 17.196 1.00 0.00 C ATOM 1853 O THR B 58 1.810 -7.171 17.691 1.00 0.00 O ATOM 1854 CB THR B 58 1.558 -6.724 14.691 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.321 -7.916 14.979 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.518 -5.563 14.427 1.00 0.00 C ATOM 0 H THR B 58 0.120 -4.536 14.917 1.00 0.00 H new ATOM 0 HA THR B 58 -0.146 -7.273 15.911 1.00 0.00 H new ATOM 0 HB THR B 58 0.965 -6.884 13.791 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.347 -8.061 15.948 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.213 -5.839 13.634 1.00 0.00 H new ATOM 0 HG22 THR B 58 1.950 -4.683 14.123 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.076 -5.338 15.336 1.00 0.00 H new ATOM 1864 N THR B 59 1.023 -5.023 17.816 1.00 0.00 N ATOM 1865 CA THR B 59 1.620 -4.573 19.111 1.00 0.00 C ATOM 1866 C THR B 59 3.049 -5.113 19.401 1.00 0.00 C ATOM 1867 O THR B 59 4.035 -4.383 19.234 1.00 0.00 O ATOM 1868 CB THR B 59 0.642 -4.843 20.306 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.272 -6.232 20.338 1.00 0.00 O ATOM 1870 CG2 THR B 59 -0.630 -3.980 20.198 1.00 0.00 C ATOM 0 H THR B 59 0.422 -4.308 17.407 1.00 0.00 H new ATOM 0 HA THR B 59 1.757 -3.497 19.002 1.00 0.00 H new ATOM 0 HB THR B 59 1.163 -4.578 21.226 1.00 0.00 H new ATOM 0 HG1 THR B 59 -0.338 -6.391 21.089 1.00 0.00 H new ATOM 0 HG21 THR B 59 -1.286 -4.192 21.042 1.00 0.00 H new ATOM 0 HG22 THR B 59 -0.356 -2.925 20.208 1.00 0.00 H new ATOM 0 HG23 THR B 59 -1.149 -4.212 19.268 1.00 0.00 H new