USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1229 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 43 GLN : amide:sc= -1.01 K(o=-2,f=-7.4!) USER MOD Set 1.2: B 49 ASN : amide:sc= -0.992 K(o=-2,f=-3.8) USER MOD Set 2.1: A 84 SER OG : rot 170:sc= 0.941 USER MOD Set 2.2: B 33 THR OG1 : rot -174:sc= -4.37! USER MOD Set 3.1: A 43 GLN :FLIP amide:sc= -0.833 F(o=-6.4,f=-3.9) USER MOD Set 3.2: B 2 ASN : amide:sc= -3.06! C(o=-3.9!,f=-7!) USER MOD Set 4.1: A 35 THR OG1 : rot 77:sc= 1.22 USER MOD Set 4.2: B 1 MET CE :methyl 155:sc= -4.54! (180deg=-6.7!) USER MOD Set 5.1: A 33 THR OG1 : rot 98:sc= -2.93 USER MOD Set 5.2: B 84 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 1 MET CE :methyl 146:sc= -2.22 (180deg=-2.79) USER MOD Set 6.2: B 35 THR OG1 : rot 90:sc= 1.06 USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0488 (180deg=-0.406) USER MOD Single : A 2 ASN : amide:sc= -4.45 K(o=-4.4,f=-5.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -1.13 (180deg=-1.13) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0.00357 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot -110:sc= -9.38! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -172:sc= -6.96! USER MOD Single : A 22 SER OG : rot 180:sc= -0.514 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -145:sc= -5.99! (180deg=-9.22!) USER MOD Single : A 27 SER OG : rot 93:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= -0.0253 (180deg=-0.305) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.737! USER MOD Single : A 49 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.609 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -118:sc= 0.0641 (180deg=-0.184) USER MOD Single : B 3 LYS NZ :NH3+ 179:sc= -0.975 (180deg=-0.982) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -1.41 K(o=-1.4,f=-6.2!) USER MOD Single : B 14 THR OG1 : rot -71:sc= -7.77! USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 20 SER OG : rot -172:sc= -3.5! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -120:sc= -15.8! (180deg=-20.3!) USER MOD Single : B 27 SER OG : rot 85:sc= 1.13 USER MOD Single : B 30 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.31) USER MOD Single : B 38 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.601) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot -61:sc= 0.555 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 140:sc= -0.037 (180deg=-0.635) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ -138:sc= -0.337 (180deg=-3.19!) USER MOD Single : B 94 TYR OH : rot 120:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.759 3.951 10.628 1.00 0.00 N ATOM 2 CA MET A 1 4.035 5.232 10.382 1.00 0.00 C ATOM 3 C MET A 1 2.548 4.957 10.143 1.00 0.00 C ATOM 4 O MET A 1 2.103 3.829 10.226 1.00 0.00 O ATOM 5 CB MET A 1 4.682 5.816 9.128 1.00 0.00 C ATOM 6 CG MET A 1 5.716 6.871 9.528 1.00 0.00 C ATOM 7 SD MET A 1 7.081 6.857 8.341 1.00 0.00 S ATOM 8 CE MET A 1 6.119 7.388 6.905 1.00 0.00 C ATOM 0 H1 MET A 1 5.681 3.975 10.147 1.00 0.00 H new ATOM 0 H2 MET A 1 4.905 3.826 11.650 1.00 0.00 H new ATOM 0 H3 MET A 1 4.197 3.158 10.259 1.00 0.00 H new ATOM 0 HA MET A 1 4.100 5.916 11.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.160 5.024 8.551 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.921 6.262 8.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.253 7.858 9.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.090 6.667 10.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.741 8.007 6.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.779 6.513 6.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.256 7.964 7.238 1.00 0.00 H new ATOM 20 N ASN A 2 1.769 5.972 9.844 1.00 0.00 N ATOM 21 CA ASN A 2 0.315 5.736 9.602 1.00 0.00 C ATOM 22 C ASN A 2 -0.408 7.022 9.200 1.00 0.00 C ATOM 23 O ASN A 2 0.200 7.998 8.810 1.00 0.00 O ATOM 24 CB ASN A 2 -0.237 5.211 10.933 1.00 0.00 C ATOM 25 CG ASN A 2 -0.723 3.770 10.765 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.003 2.836 11.057 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.925 3.548 10.309 1.00 0.00 N ATOM 0 H ASN A 2 2.076 6.941 9.759 1.00 0.00 H new ATOM 0 HA ASN A 2 0.164 5.034 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.536 5.256 11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.058 5.844 11.271 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.260 2.591 10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.530 4.332 10.064 1.00 0.00 H new ATOM 34 N LYS A 3 -1.716 7.022 9.305 1.00 0.00 N ATOM 35 CA LYS A 3 -2.513 8.236 8.940 1.00 0.00 C ATOM 36 C LYS A 3 -1.967 9.476 9.671 1.00 0.00 C ATOM 37 O LYS A 3 -2.328 10.593 9.360 1.00 0.00 O ATOM 38 CB LYS A 3 -3.947 7.922 9.402 1.00 0.00 C ATOM 39 CG LYS A 3 -4.968 8.417 8.361 1.00 0.00 C ATOM 40 CD LYS A 3 -6.030 7.330 8.116 1.00 0.00 C ATOM 41 CE LYS A 3 -7.248 7.914 7.374 1.00 0.00 C ATOM 42 NZ LYS A 3 -7.919 8.797 8.369 1.00 0.00 N ATOM 0 H LYS A 3 -2.268 6.228 9.630 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.466 8.455 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.061 6.848 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.138 8.399 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.445 9.332 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.461 8.660 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.598 6.518 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.348 6.904 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.941 8.476 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.917 7.125 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.759 9.232 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.207 8.234 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.260 9.543 8.671 1.00 0.00 H new ATOM 56 N THR A 4 -1.100 9.288 10.641 1.00 0.00 N ATOM 57 CA THR A 4 -0.534 10.454 11.386 1.00 0.00 C ATOM 58 C THR A 4 0.972 10.583 11.129 1.00 0.00 C ATOM 59 O THR A 4 1.456 11.595 10.644 1.00 0.00 O ATOM 60 CB THR A 4 -0.791 10.137 12.861 1.00 0.00 C ATOM 61 OG1 THR A 4 -2.191 10.072 13.093 1.00 0.00 O ATOM 62 CG2 THR A 4 -0.174 11.229 13.740 1.00 0.00 C ATOM 0 H THR A 4 -0.762 8.376 10.947 1.00 0.00 H new ATOM 0 HA THR A 4 -0.988 11.395 11.076 1.00 0.00 H new ATOM 0 HB THR A 4 -0.336 9.178 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.357 9.867 14.037 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.359 10.999 14.789 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.901 11.275 13.563 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.624 12.191 13.494 1.00 0.00 H new ATOM 70 N GLU A 5 1.726 9.570 11.450 1.00 0.00 N ATOM 71 CA GLU A 5 3.196 9.647 11.225 1.00 0.00 C ATOM 72 C GLU A 5 3.454 10.114 9.799 1.00 0.00 C ATOM 73 O GLU A 5 4.218 11.031 9.565 1.00 0.00 O ATOM 74 CB GLU A 5 3.731 8.236 11.456 1.00 0.00 C ATOM 75 CG GLU A 5 3.333 7.749 12.855 1.00 0.00 C ATOM 76 CD GLU A 5 4.580 7.653 13.738 1.00 0.00 C ATOM 77 OE1 GLU A 5 5.482 6.915 13.378 1.00 0.00 O ATOM 78 OE2 GLU A 5 4.612 8.320 14.759 1.00 0.00 O ATOM 0 H GLU A 5 1.391 8.696 11.856 1.00 0.00 H new ATOM 0 HA GLU A 5 3.689 10.353 11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.334 7.559 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.816 8.228 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.612 8.436 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.846 6.776 12.788 1.00 0.00 H new ATOM 85 N LEU A 6 2.800 9.514 8.843 1.00 0.00 N ATOM 86 CA LEU A 6 2.997 9.964 7.434 1.00 0.00 C ATOM 87 C LEU A 6 2.700 11.468 7.313 1.00 0.00 C ATOM 88 O LEU A 6 3.328 12.166 6.536 1.00 0.00 O ATOM 89 CB LEU A 6 2.013 9.143 6.597 1.00 0.00 C ATOM 90 CG LEU A 6 2.621 7.772 6.301 1.00 0.00 C ATOM 91 CD1 LEU A 6 1.510 6.792 5.915 1.00 0.00 C ATOM 92 CD2 LEU A 6 3.616 7.896 5.144 1.00 0.00 C ATOM 0 H LEU A 6 2.146 8.742 8.972 1.00 0.00 H new ATOM 0 HA LEU A 6 4.023 9.816 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.071 9.027 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.789 9.663 5.665 1.00 0.00 H new ATOM 0 HG LEU A 6 3.137 7.404 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.944 5.815 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.800 6.704 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.993 7.159 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.051 6.919 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.099 8.264 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.408 8.593 5.418 1.00 0.00 H new ATOM 104 N ILE A 7 1.769 11.994 8.087 1.00 0.00 N ATOM 105 CA ILE A 7 1.500 13.464 7.989 1.00 0.00 C ATOM 106 C ILE A 7 2.783 14.189 8.348 1.00 0.00 C ATOM 107 O ILE A 7 3.172 15.137 7.700 1.00 0.00 O ATOM 108 CB ILE A 7 0.335 13.817 8.945 1.00 0.00 C ATOM 109 CG1 ILE A 7 0.822 14.042 10.385 1.00 0.00 C ATOM 110 CG2 ILE A 7 -0.726 12.714 8.925 1.00 0.00 C ATOM 111 CD1 ILE A 7 1.008 15.540 10.632 1.00 0.00 C ATOM 0 H ILE A 7 1.201 11.482 8.762 1.00 0.00 H new ATOM 0 HA ILE A 7 1.202 13.765 6.985 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.103 14.750 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.101 13.633 11.092 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.763 13.516 10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.538 12.978 9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.118 12.605 7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.278 11.773 9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.353 15.700 11.653 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.745 15.935 9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.058 16.054 10.486 1.00 0.00 H new ATOM 123 N LYS A 8 3.471 13.710 9.345 1.00 0.00 N ATOM 124 CA LYS A 8 4.765 14.337 9.709 1.00 0.00 C ATOM 125 C LYS A 8 5.750 14.091 8.564 1.00 0.00 C ATOM 126 O LYS A 8 6.613 14.901 8.287 1.00 0.00 O ATOM 127 CB LYS A 8 5.201 13.648 11.015 1.00 0.00 C ATOM 128 CG LYS A 8 6.410 12.735 10.772 1.00 0.00 C ATOM 129 CD LYS A 8 6.775 12.012 12.071 1.00 0.00 C ATOM 130 CE LYS A 8 6.094 10.641 12.104 1.00 0.00 C ATOM 131 NZ LYS A 8 7.185 9.676 12.418 1.00 0.00 N ATOM 0 H LYS A 8 3.193 12.915 9.920 1.00 0.00 H new ATOM 0 HA LYS A 8 4.708 15.415 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.452 14.401 11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.373 13.064 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.180 12.009 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.258 13.323 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.856 11.894 12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.462 12.606 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.309 10.608 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.626 10.410 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.774 8.743 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.826 9.599 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.717 10.011 13.246 1.00 0.00 H new ATOM 145 N ALA A 9 5.602 12.983 7.878 1.00 0.00 N ATOM 146 CA ALA A 9 6.500 12.690 6.729 1.00 0.00 C ATOM 147 C ALA A 9 6.383 13.814 5.707 1.00 0.00 C ATOM 148 O ALA A 9 7.364 14.250 5.140 1.00 0.00 O ATOM 149 CB ALA A 9 5.985 11.382 6.140 1.00 0.00 C ATOM 0 H ALA A 9 4.896 12.272 8.068 1.00 0.00 H new ATOM 0 HA ALA A 9 7.547 12.611 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.600 11.101 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.034 10.598 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.952 11.510 5.817 1.00 0.00 H new ATOM 155 N ILE A 10 5.194 14.320 5.496 1.00 0.00 N ATOM 156 CA ILE A 10 5.033 15.437 4.551 1.00 0.00 C ATOM 157 C ILE A 10 5.170 16.719 5.354 1.00 0.00 C ATOM 158 O ILE A 10 5.653 17.722 4.886 1.00 0.00 O ATOM 159 CB ILE A 10 3.618 15.270 3.967 1.00 0.00 C ATOM 160 CG1 ILE A 10 3.694 14.547 2.618 1.00 0.00 C ATOM 161 CG2 ILE A 10 2.956 16.637 3.765 1.00 0.00 C ATOM 162 CD1 ILE A 10 4.327 13.166 2.808 1.00 0.00 C ATOM 0 H ILE A 10 4.335 14.000 5.943 1.00 0.00 H new ATOM 0 HA ILE A 10 5.766 15.461 3.745 1.00 0.00 H new ATOM 0 HB ILE A 10 3.024 14.684 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.696 14.445 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.283 15.134 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.957 16.500 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.885 17.152 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.555 17.233 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.380 12.654 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.332 13.279 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.721 12.580 3.498 1.00 0.00 H new ATOM 174 N ALA A 11 4.786 16.684 6.587 1.00 0.00 N ATOM 175 CA ALA A 11 4.942 17.898 7.405 1.00 0.00 C ATOM 176 C ALA A 11 6.439 18.178 7.579 1.00 0.00 C ATOM 177 O ALA A 11 6.835 19.230 8.044 1.00 0.00 O ATOM 178 CB ALA A 11 4.273 17.556 8.733 1.00 0.00 C ATOM 0 H ALA A 11 4.376 15.878 7.059 1.00 0.00 H new ATOM 0 HA ALA A 11 4.497 18.790 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.343 18.410 9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.224 17.315 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.773 16.698 9.182 1.00 0.00 H new ATOM 184 N GLN A 12 7.275 17.239 7.196 1.00 0.00 N ATOM 185 CA GLN A 12 8.739 17.447 7.323 1.00 0.00 C ATOM 186 C GLN A 12 9.408 17.398 5.943 1.00 0.00 C ATOM 187 O GLN A 12 10.240 18.229 5.629 1.00 0.00 O ATOM 188 CB GLN A 12 9.227 16.316 8.244 1.00 0.00 C ATOM 189 CG GLN A 12 9.375 15.008 7.458 1.00 0.00 C ATOM 190 CD GLN A 12 9.835 13.896 8.404 1.00 0.00 C ATOM 191 OE1 GLN A 12 9.256 12.830 8.435 1.00 0.00 O ATOM 192 NE2 GLN A 12 10.861 14.103 9.184 1.00 0.00 N ATOM 0 H GLN A 12 6.998 16.340 6.802 1.00 0.00 H new ATOM 0 HA GLN A 12 8.990 18.423 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.183 16.589 8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.522 16.177 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.425 14.738 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.096 15.135 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.348 14.999 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.175 13.369 9.819 1.00 0.00 H new ATOM 201 N ASP A 13 9.029 16.474 5.094 1.00 0.00 N ATOM 202 CA ASP A 13 9.634 16.451 3.726 1.00 0.00 C ATOM 203 C ASP A 13 9.096 17.669 2.990 1.00 0.00 C ATOM 204 O ASP A 13 9.702 18.213 2.089 1.00 0.00 O ATOM 205 CB ASP A 13 9.137 15.164 3.068 1.00 0.00 C ATOM 206 CG ASP A 13 9.940 13.975 3.596 1.00 0.00 C ATOM 207 OD1 ASP A 13 11.135 13.936 3.348 1.00 0.00 O ATOM 208 OD2 ASP A 13 9.350 13.123 4.239 1.00 0.00 O ATOM 0 H ASP A 13 8.339 15.747 5.284 1.00 0.00 H new ATOM 0 HA ASP A 13 10.724 16.477 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.077 15.022 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.241 15.234 1.985 1.00 0.00 H new ATOM 213 N THR A 14 7.947 18.094 3.419 1.00 0.00 N ATOM 214 CA THR A 14 7.275 19.274 2.846 1.00 0.00 C ATOM 215 C THR A 14 7.408 20.410 3.875 1.00 0.00 C ATOM 216 O THR A 14 8.198 21.320 3.715 1.00 0.00 O ATOM 217 CB THR A 14 5.832 18.787 2.682 1.00 0.00 C ATOM 218 OG1 THR A 14 5.779 17.394 2.940 1.00 0.00 O ATOM 219 CG2 THR A 14 5.360 18.995 1.267 1.00 0.00 C ATOM 0 H THR A 14 7.429 17.648 4.176 1.00 0.00 H new ATOM 0 HA THR A 14 7.671 19.651 1.903 1.00 0.00 H new ATOM 0 HB THR A 14 5.203 19.347 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.604 16.913 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.333 18.643 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.405 20.056 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.000 18.437 0.584 1.00 0.00 H new ATOM 227 N GLY A 15 6.675 20.327 4.957 1.00 0.00 N ATOM 228 CA GLY A 15 6.783 21.358 6.042 1.00 0.00 C ATOM 229 C GLY A 15 6.373 22.736 5.531 1.00 0.00 C ATOM 230 O GLY A 15 6.645 23.746 6.149 1.00 0.00 O ATOM 0 H GLY A 15 6.000 19.584 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.149 21.075 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.807 21.394 6.413 1.00 0.00 H new ATOM 234 N LEU A 16 5.720 22.781 4.415 1.00 0.00 N ATOM 235 CA LEU A 16 5.279 24.093 3.851 1.00 0.00 C ATOM 236 C LEU A 16 4.364 24.816 4.828 1.00 0.00 C ATOM 237 O LEU A 16 4.705 25.838 5.390 1.00 0.00 O ATOM 238 CB LEU A 16 4.491 23.741 2.596 1.00 0.00 C ATOM 239 CG LEU A 16 5.447 23.211 1.542 1.00 0.00 C ATOM 240 CD1 LEU A 16 5.444 21.692 1.565 1.00 0.00 C ATOM 241 CD2 LEU A 16 5.001 23.701 0.160 1.00 0.00 C ATOM 0 H LEU A 16 5.467 21.965 3.858 1.00 0.00 H new ATOM 0 HA LEU A 16 6.128 24.746 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.732 22.993 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.968 24.621 2.221 1.00 0.00 H new ATOM 0 HG LEU A 16 6.454 23.572 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.131 21.315 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.760 21.342 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.438 21.327 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.686 23.322 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.994 23.339 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.006 24.791 0.141 1.00 0.00 H new ATOM 253 N THR A 17 3.195 24.286 5.016 1.00 0.00 N ATOM 254 CA THR A 17 2.220 24.916 5.934 1.00 0.00 C ATOM 255 C THR A 17 1.535 23.837 6.763 1.00 0.00 C ATOM 256 O THR A 17 0.538 24.083 7.413 1.00 0.00 O ATOM 257 CB THR A 17 1.211 25.601 4.998 1.00 0.00 C ATOM 258 OG1 THR A 17 0.765 26.812 5.588 1.00 0.00 O ATOM 259 CG2 THR A 17 0.010 24.681 4.744 1.00 0.00 C ATOM 0 H THR A 17 2.870 23.431 4.566 1.00 0.00 H new ATOM 0 HA THR A 17 2.676 25.618 6.632 1.00 0.00 H new ATOM 0 HB THR A 17 1.699 25.813 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.123 27.250 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.696 25.179 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.352 23.755 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.481 24.454 5.690 1.00 0.00 H new ATOM 267 N GLN A 18 2.020 22.623 6.694 1.00 0.00 N ATOM 268 CA GLN A 18 1.334 21.523 7.416 1.00 0.00 C ATOM 269 C GLN A 18 -0.101 21.484 6.886 1.00 0.00 C ATOM 270 O GLN A 18 -1.020 21.061 7.556 1.00 0.00 O ATOM 271 CB GLN A 18 1.371 21.886 8.906 1.00 0.00 C ATOM 272 CG GLN A 18 2.765 22.395 9.277 1.00 0.00 C ATOM 273 CD GLN A 18 2.999 22.201 10.776 1.00 0.00 C ATOM 274 OE1 GLN A 18 3.938 21.543 11.175 1.00 0.00 O ATOM 275 NE2 GLN A 18 2.177 22.750 11.629 1.00 0.00 N ATOM 0 H GLN A 18 2.854 22.353 6.173 1.00 0.00 H new ATOM 0 HA GLN A 18 1.797 20.546 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.624 22.650 9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.119 21.014 9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.523 21.857 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.859 23.449 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.388 23.303 11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.324 22.626 12.631 1.00 0.00 H new ATOM 284 N VAL A 19 -0.262 21.962 5.662 1.00 0.00 N ATOM 285 CA VAL A 19 -1.596 22.028 4.978 1.00 0.00 C ATOM 286 C VAL A 19 -2.649 21.231 5.748 1.00 0.00 C ATOM 287 O VAL A 19 -3.236 21.703 6.702 1.00 0.00 O ATOM 288 CB VAL A 19 -1.326 21.449 3.561 1.00 0.00 C ATOM 289 CG1 VAL A 19 -0.533 20.137 3.656 1.00 0.00 C ATOM 290 CG2 VAL A 19 -2.637 21.175 2.799 1.00 0.00 C ATOM 0 H VAL A 19 0.508 22.319 5.096 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.999 23.039 4.926 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.749 22.197 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.354 19.747 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.421 20.323 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.103 19.408 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.407 20.771 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.237 20.455 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.195 22.105 2.689 1.00 0.00 H new ATOM 300 N SER A 20 -2.850 20.025 5.361 1.00 0.00 N ATOM 301 CA SER A 20 -3.791 19.146 6.034 1.00 0.00 C ATOM 302 C SER A 20 -3.042 17.858 6.278 1.00 0.00 C ATOM 303 O SER A 20 -3.635 16.818 6.398 1.00 0.00 O ATOM 304 CB SER A 20 -4.943 18.949 5.049 1.00 0.00 C ATOM 305 OG SER A 20 -6.072 19.689 5.494 1.00 0.00 O ATOM 0 H SER A 20 -2.374 19.598 4.566 1.00 0.00 H new ATOM 0 HA SER A 20 -4.181 19.523 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.646 19.279 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.194 17.891 4.972 1.00 0.00 H new ATOM 0 HG SER A 20 -6.848 19.467 4.938 1.00 0.00 H new ATOM 311 N VAL A 21 -1.721 17.917 6.309 1.00 0.00 N ATOM 312 CA VAL A 21 -0.898 16.689 6.513 1.00 0.00 C ATOM 313 C VAL A 21 -1.720 15.657 7.254 1.00 0.00 C ATOM 314 O VAL A 21 -1.710 14.476 6.956 1.00 0.00 O ATOM 315 CB VAL A 21 0.290 17.150 7.358 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.134 18.135 6.549 1.00 0.00 C ATOM 317 CG2 VAL A 21 -0.205 17.836 8.635 1.00 0.00 C ATOM 0 H VAL A 21 -1.183 18.776 6.200 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.570 16.233 5.579 1.00 0.00 H new ATOM 0 HB VAL A 21 0.891 16.283 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.982 18.466 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.497 17.646 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.525 18.997 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.650 18.160 9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.812 18.702 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.805 17.135 9.215 1.00 0.00 H new ATOM 327 N SER A 22 -2.482 16.135 8.182 1.00 0.00 N ATOM 328 CA SER A 22 -3.378 15.234 8.954 1.00 0.00 C ATOM 329 C SER A 22 -4.675 15.033 8.177 1.00 0.00 C ATOM 330 O SER A 22 -5.258 13.972 8.187 1.00 0.00 O ATOM 331 CB SER A 22 -3.636 15.956 10.276 1.00 0.00 C ATOM 332 OG SER A 22 -2.410 16.467 10.780 1.00 0.00 O ATOM 0 H SER A 22 -2.527 17.119 8.446 1.00 0.00 H new ATOM 0 HA SER A 22 -2.944 14.249 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.348 16.768 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.081 15.270 10.997 1.00 0.00 H new ATOM 0 HG SER A 22 -2.573 16.932 11.627 1.00 0.00 H new ATOM 338 N LYS A 23 -5.121 16.052 7.498 1.00 0.00 N ATOM 339 CA LYS A 23 -6.371 15.944 6.707 1.00 0.00 C ATOM 340 C LYS A 23 -6.104 15.376 5.305 1.00 0.00 C ATOM 341 O LYS A 23 -6.924 14.656 4.775 1.00 0.00 O ATOM 342 CB LYS A 23 -6.911 17.368 6.627 1.00 0.00 C ATOM 343 CG LYS A 23 -8.074 17.534 7.605 1.00 0.00 C ATOM 344 CD LYS A 23 -8.248 19.017 7.950 1.00 0.00 C ATOM 345 CE LYS A 23 -6.966 19.545 8.600 1.00 0.00 C ATOM 346 NZ LYS A 23 -7.429 20.484 9.661 1.00 0.00 N ATOM 0 H LYS A 23 -4.665 16.964 7.459 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.082 15.260 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.121 18.081 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.243 17.585 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.991 17.143 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.885 16.959 8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.472 19.587 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.092 19.147 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.375 18.733 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.335 20.053 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.605 20.887 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.983 21.250 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.022 19.971 10.344 1.00 0.00 H new ATOM 360 N MET A 24 -4.975 15.667 4.691 1.00 0.00 N ATOM 361 CA MET A 24 -4.739 15.089 3.332 1.00 0.00 C ATOM 362 C MET A 24 -4.363 13.620 3.467 1.00 0.00 C ATOM 363 O MET A 24 -4.815 12.802 2.694 1.00 0.00 O ATOM 364 CB MET A 24 -3.614 15.870 2.625 1.00 0.00 C ATOM 365 CG MET A 24 -2.822 16.747 3.591 1.00 0.00 C ATOM 366 SD MET A 24 -1.098 16.724 3.100 1.00 0.00 S ATOM 367 CE MET A 24 -0.851 15.056 3.723 1.00 0.00 C ATOM 0 H MET A 24 -4.232 16.260 5.061 1.00 0.00 H new ATOM 0 HA MET A 24 -5.647 15.169 2.735 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.938 15.167 2.138 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.045 16.493 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.206 17.767 3.578 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.930 16.379 4.611 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.156 14.965 4.130 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.579 14.849 4.507 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.980 14.341 2.910 1.00 0.00 H new ATOM 377 N LEU A 25 -3.560 13.252 4.439 1.00 0.00 N ATOM 378 CA LEU A 25 -3.234 11.808 4.562 1.00 0.00 C ATOM 379 C LEU A 25 -4.443 11.081 5.136 1.00 0.00 C ATOM 380 O LEU A 25 -4.784 9.996 4.706 1.00 0.00 O ATOM 381 CB LEU A 25 -2.021 11.717 5.471 1.00 0.00 C ATOM 382 CG LEU A 25 -0.773 11.814 4.596 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.450 12.098 5.460 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.575 10.495 3.844 1.00 0.00 C ATOM 0 H LEU A 25 -3.132 13.871 5.128 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.004 11.341 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.034 12.520 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.028 10.778 6.024 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.899 12.627 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.335 12.165 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.310 13.040 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.581 11.292 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.315 10.563 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.455 9.682 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.445 10.300 3.217 1.00 0.00 H new ATOM 396 N ALA A 26 -5.134 11.690 6.067 1.00 0.00 N ATOM 397 CA ALA A 26 -6.357 11.038 6.608 1.00 0.00 C ATOM 398 C ALA A 26 -7.366 10.929 5.468 1.00 0.00 C ATOM 399 O ALA A 26 -8.120 9.979 5.367 1.00 0.00 O ATOM 400 CB ALA A 26 -6.881 11.966 7.704 1.00 0.00 C ATOM 0 H ALA A 26 -4.905 12.599 6.469 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.171 10.042 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.783 11.539 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.122 12.081 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.112 12.941 7.275 1.00 0.00 H new ATOM 406 N SER A 27 -7.348 11.892 4.583 1.00 0.00 N ATOM 407 CA SER A 27 -8.266 11.852 3.417 1.00 0.00 C ATOM 408 C SER A 27 -7.626 10.998 2.326 1.00 0.00 C ATOM 409 O SER A 27 -8.300 10.343 1.565 1.00 0.00 O ATOM 410 CB SER A 27 -8.413 13.300 2.956 1.00 0.00 C ATOM 411 OG SER A 27 -9.143 14.031 3.933 1.00 0.00 O ATOM 0 H SER A 27 -6.733 12.705 4.622 1.00 0.00 H new ATOM 0 HA SER A 27 -9.239 11.422 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.431 13.748 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.928 13.338 1.996 1.00 0.00 H new ATOM 0 HG SER A 27 -8.519 14.455 4.558 1.00 0.00 H new ATOM 417 N PHE A 28 -6.318 10.987 2.269 1.00 0.00 N ATOM 418 CA PHE A 28 -5.611 10.153 1.251 1.00 0.00 C ATOM 419 C PHE A 28 -6.008 8.704 1.464 1.00 0.00 C ATOM 420 O PHE A 28 -6.196 7.953 0.539 1.00 0.00 O ATOM 421 CB PHE A 28 -4.124 10.361 1.537 1.00 0.00 C ATOM 422 CG PHE A 28 -3.351 9.066 1.384 1.00 0.00 C ATOM 423 CD1 PHE A 28 -2.863 8.684 0.130 1.00 0.00 C ATOM 424 CD2 PHE A 28 -3.088 8.268 2.506 1.00 0.00 C ATOM 425 CE1 PHE A 28 -2.120 7.512 -0.004 1.00 0.00 C ATOM 426 CE2 PHE A 28 -2.336 7.100 2.371 1.00 0.00 C ATOM 427 CZ PHE A 28 -1.851 6.723 1.114 1.00 0.00 C ATOM 0 H PHE A 28 -5.707 11.522 2.886 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.854 10.419 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.721 11.111 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.996 10.747 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.062 9.298 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.467 8.557 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.752 7.215 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.129 6.488 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.268 5.820 1.009 1.00 0.00 H new ATOM 437 N GLU A 29 -6.186 8.327 2.684 1.00 0.00 N ATOM 438 CA GLU A 29 -6.620 6.957 2.968 1.00 0.00 C ATOM 439 C GLU A 29 -8.107 6.920 2.736 1.00 0.00 C ATOM 440 O GLU A 29 -8.661 5.955 2.259 1.00 0.00 O ATOM 441 CB GLU A 29 -6.243 6.744 4.423 1.00 0.00 C ATOM 442 CG GLU A 29 -4.823 6.205 4.442 1.00 0.00 C ATOM 443 CD GLU A 29 -4.039 6.790 5.617 1.00 0.00 C ATOM 444 OE1 GLU A 29 -3.726 7.966 5.568 1.00 0.00 O ATOM 445 OE2 GLU A 29 -3.753 6.045 6.541 1.00 0.00 O ATOM 0 H GLU A 29 -6.047 8.918 3.503 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.172 6.178 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.307 7.680 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.928 6.043 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.842 5.118 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.323 6.451 3.506 1.00 0.00 H new ATOM 452 N LYS A 30 -8.744 8.012 3.013 1.00 0.00 N ATOM 453 CA LYS A 30 -10.194 8.101 2.752 1.00 0.00 C ATOM 454 C LYS A 30 -10.408 8.096 1.239 1.00 0.00 C ATOM 455 O LYS A 30 -11.418 7.663 0.771 1.00 0.00 O ATOM 456 CB LYS A 30 -10.652 9.426 3.353 1.00 0.00 C ATOM 457 CG LYS A 30 -12.180 9.469 3.353 1.00 0.00 C ATOM 458 CD LYS A 30 -12.669 10.386 4.477 1.00 0.00 C ATOM 459 CE LYS A 30 -12.762 9.591 5.783 1.00 0.00 C ATOM 460 NZ LYS A 30 -12.028 10.412 6.786 1.00 0.00 N ATOM 0 H LYS A 30 -8.320 8.850 3.411 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.753 7.271 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.272 9.530 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.252 10.260 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.543 9.831 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.582 8.465 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.985 11.226 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.644 10.803 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.800 9.440 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.313 8.603 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.048 9.932 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.042 10.534 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.482 11.344 6.871 1.00 0.00 H new ATOM 474 N ILE A 31 -9.444 8.558 0.474 1.00 0.00 N ATOM 475 CA ILE A 31 -9.596 8.556 -1.014 1.00 0.00 C ATOM 476 C ILE A 31 -8.907 7.325 -1.593 1.00 0.00 C ATOM 477 O ILE A 31 -9.343 6.763 -2.569 1.00 0.00 O ATOM 478 CB ILE A 31 -8.953 9.838 -1.532 1.00 0.00 C ATOM 479 CG1 ILE A 31 -7.541 9.996 -0.999 1.00 0.00 C ATOM 480 CG2 ILE A 31 -9.801 11.040 -1.124 1.00 0.00 C ATOM 481 CD1 ILE A 31 -6.548 9.677 -2.115 1.00 0.00 C ATOM 0 H ILE A 31 -8.561 8.935 0.818 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.644 8.519 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.900 9.780 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.387 11.013 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.382 9.329 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.339 11.954 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.800 10.941 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.870 11.084 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.531 9.788 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.699 8.652 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.704 10.362 -2.948 1.00 0.00 H new ATOM 493 N ILE A 32 -7.859 6.880 -0.967 1.00 0.00 N ATOM 494 CA ILE A 32 -7.175 5.639 -1.446 1.00 0.00 C ATOM 495 C ILE A 32 -8.153 4.508 -1.251 1.00 0.00 C ATOM 496 O ILE A 32 -8.457 3.748 -2.152 1.00 0.00 O ATOM 497 CB ILE A 32 -5.967 5.424 -0.530 1.00 0.00 C ATOM 498 CG1 ILE A 32 -4.875 6.445 -0.876 1.00 0.00 C ATOM 499 CG2 ILE A 32 -5.424 3.998 -0.714 1.00 0.00 C ATOM 500 CD1 ILE A 32 -3.986 5.918 -2.005 1.00 0.00 C ATOM 0 H ILE A 32 -7.442 7.317 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.860 5.699 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.271 5.558 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.332 7.388 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.269 6.651 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.564 3.849 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.202 3.277 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.120 3.855 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.217 6.655 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.513 4.987 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.593 5.736 -2.892 1.00 0.00 H new ATOM 512 N THR A 33 -8.667 4.419 -0.060 1.00 0.00 N ATOM 513 CA THR A 33 -9.649 3.370 0.232 1.00 0.00 C ATOM 514 C THR A 33 -10.905 3.648 -0.605 1.00 0.00 C ATOM 515 O THR A 33 -11.482 2.763 -1.204 1.00 0.00 O ATOM 516 CB THR A 33 -9.895 3.461 1.750 1.00 0.00 C ATOM 517 OG1 THR A 33 -9.570 2.222 2.357 1.00 0.00 O ATOM 518 CG2 THR A 33 -11.352 3.795 2.044 1.00 0.00 C ATOM 0 H THR A 33 -8.442 5.035 0.721 1.00 0.00 H new ATOM 0 HA THR A 33 -9.324 2.361 -0.022 1.00 0.00 H new ATOM 0 HB THR A 33 -9.265 4.253 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.664 2.267 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.501 3.854 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.604 4.753 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.994 3.017 1.631 1.00 0.00 H new ATOM 526 N GLU A 34 -11.311 4.890 -0.659 1.00 0.00 N ATOM 527 CA GLU A 34 -12.516 5.264 -1.460 1.00 0.00 C ATOM 528 C GLU A 34 -12.255 5.122 -2.967 1.00 0.00 C ATOM 529 O GLU A 34 -13.131 4.735 -3.714 1.00 0.00 O ATOM 530 CB GLU A 34 -12.770 6.723 -1.098 1.00 0.00 C ATOM 531 CG GLU A 34 -13.529 6.789 0.236 1.00 0.00 C ATOM 532 CD GLU A 34 -14.971 6.321 0.029 1.00 0.00 C ATOM 533 OE1 GLU A 34 -15.633 6.872 -0.835 1.00 0.00 O ATOM 534 OE2 GLU A 34 -15.389 5.420 0.737 1.00 0.00 O ATOM 0 H GLU A 34 -10.857 5.667 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.367 4.618 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.825 7.260 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.348 7.209 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.035 6.162 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.519 7.808 0.622 1.00 0.00 H new ATOM 541 N THR A 35 -11.064 5.423 -3.429 1.00 0.00 N ATOM 542 CA THR A 35 -10.789 5.285 -4.893 1.00 0.00 C ATOM 543 C THR A 35 -11.062 3.863 -5.303 1.00 0.00 C ATOM 544 O THR A 35 -11.874 3.617 -6.171 1.00 0.00 O ATOM 545 CB THR A 35 -9.313 5.633 -5.109 1.00 0.00 C ATOM 546 OG1 THR A 35 -9.157 7.045 -5.118 1.00 0.00 O ATOM 547 CG2 THR A 35 -8.847 5.053 -6.455 1.00 0.00 C ATOM 0 H THR A 35 -10.282 5.753 -2.864 1.00 0.00 H new ATOM 0 HA THR A 35 -11.420 5.945 -5.489 1.00 0.00 H new ATOM 0 HB THR A 35 -8.714 5.209 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.193 7.384 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.797 5.298 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.969 3.970 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.444 5.479 -7.261 1.00 0.00 H new ATOM 555 N VAL A 36 -10.433 2.909 -4.678 1.00 0.00 N ATOM 556 CA VAL A 36 -10.758 1.514 -5.055 1.00 0.00 C ATOM 557 C VAL A 36 -12.275 1.364 -4.884 1.00 0.00 C ATOM 558 O VAL A 36 -12.929 0.637 -5.597 1.00 0.00 O ATOM 559 CB VAL A 36 -9.960 0.617 -4.101 1.00 0.00 C ATOM 560 CG1 VAL A 36 -10.863 0.076 -2.986 1.00 0.00 C ATOM 561 CG2 VAL A 36 -9.372 -0.553 -4.897 1.00 0.00 C ATOM 0 H VAL A 36 -9.732 3.030 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.500 1.245 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.161 1.202 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.278 -0.558 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.281 0.909 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.673 -0.508 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.802 -1.198 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -10.180 -1.126 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.715 -0.169 -5.677 1.00 0.00 H new ATOM 571 N ALA A 37 -12.831 2.120 -3.961 1.00 0.00 N ATOM 572 CA ALA A 37 -14.305 2.109 -3.745 1.00 0.00 C ATOM 573 C ALA A 37 -14.991 2.898 -4.864 1.00 0.00 C ATOM 574 O ALA A 37 -16.201 2.967 -4.932 1.00 0.00 O ATOM 575 CB ALA A 37 -14.519 2.819 -2.413 1.00 0.00 C ATOM 0 H ALA A 37 -12.315 2.748 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.715 1.099 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.584 2.851 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.995 2.279 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.131 3.836 -2.476 1.00 0.00 H new ATOM 581 N LYS A 38 -14.224 3.499 -5.738 1.00 0.00 N ATOM 582 CA LYS A 38 -14.825 4.277 -6.857 1.00 0.00 C ATOM 583 C LYS A 38 -14.465 3.600 -8.166 1.00 0.00 C ATOM 584 O LYS A 38 -15.227 3.606 -9.113 1.00 0.00 O ATOM 585 CB LYS A 38 -14.202 5.672 -6.767 1.00 0.00 C ATOM 586 CG LYS A 38 -15.267 6.683 -6.326 1.00 0.00 C ATOM 587 CD LYS A 38 -14.676 7.628 -5.274 1.00 0.00 C ATOM 588 CE LYS A 38 -15.293 7.326 -3.907 1.00 0.00 C ATOM 589 NZ LYS A 38 -16.685 7.850 -3.989 1.00 0.00 N ATOM 0 H LYS A 38 -13.204 3.483 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.912 4.336 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.375 5.667 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.790 5.961 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.619 7.254 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.131 6.160 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.594 7.508 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.871 8.664 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.286 6.256 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.735 7.811 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.902 8.395 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.775 8.466 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.351 7.055 -4.072 1.00 0.00 H new ATOM 603 N GLY A 39 -13.317 2.990 -8.216 1.00 0.00 N ATOM 604 CA GLY A 39 -12.915 2.284 -9.447 1.00 0.00 C ATOM 605 C GLY A 39 -11.691 2.947 -10.069 1.00 0.00 C ATOM 606 O GLY A 39 -11.613 3.111 -11.270 1.00 0.00 O ATOM 0 H GLY A 39 -12.642 2.953 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.694 1.241 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.739 2.287 -10.160 1.00 0.00 H new ATOM 610 N ASP A 40 -10.728 3.319 -9.272 1.00 0.00 N ATOM 611 CA ASP A 40 -9.510 3.958 -9.855 1.00 0.00 C ATOM 612 C ASP A 40 -8.250 3.213 -9.403 1.00 0.00 C ATOM 613 O ASP A 40 -7.933 3.150 -8.232 1.00 0.00 O ATOM 614 CB ASP A 40 -9.512 5.400 -9.345 1.00 0.00 C ATOM 615 CG ASP A 40 -9.694 6.361 -10.522 1.00 0.00 C ATOM 616 OD1 ASP A 40 -10.767 6.358 -11.104 1.00 0.00 O ATOM 617 OD2 ASP A 40 -8.758 7.083 -10.822 1.00 0.00 O ATOM 0 H ASP A 40 -10.728 3.212 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.516 3.927 -10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.315 5.539 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.577 5.615 -8.828 1.00 0.00 H new ATOM 622 N LYS A 41 -7.536 2.651 -10.338 1.00 0.00 N ATOM 623 CA LYS A 41 -6.291 1.904 -10.003 1.00 0.00 C ATOM 624 C LYS A 41 -5.238 2.873 -9.479 1.00 0.00 C ATOM 625 O LYS A 41 -4.450 3.421 -10.225 1.00 0.00 O ATOM 626 CB LYS A 41 -5.836 1.272 -11.319 1.00 0.00 C ATOM 627 CG LYS A 41 -6.284 -0.190 -11.367 1.00 0.00 C ATOM 628 CD LYS A 41 -6.439 -0.631 -12.823 1.00 0.00 C ATOM 629 CE LYS A 41 -7.894 -0.450 -13.262 1.00 0.00 C ATOM 630 NZ LYS A 41 -8.169 -1.599 -14.167 1.00 0.00 N ATOM 0 H LYS A 41 -7.765 2.678 -11.332 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.450 1.151 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.257 1.820 -12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.751 1.334 -11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.554 -0.821 -10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.229 -0.309 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.780 -0.045 -13.463 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.143 -1.674 -12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.568 -0.452 -12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.036 0.500 -13.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.149 -1.544 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.517 -1.567 -14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.033 -2.490 -13.648 1.00 0.00 H new ATOM 644 N VAL A 42 -5.230 3.091 -8.200 1.00 0.00 N ATOM 645 CA VAL A 42 -4.236 4.035 -7.606 1.00 0.00 C ATOM 646 C VAL A 42 -2.817 3.479 -7.756 1.00 0.00 C ATOM 647 O VAL A 42 -2.551 2.334 -7.446 1.00 0.00 O ATOM 648 CB VAL A 42 -4.627 4.155 -6.127 1.00 0.00 C ATOM 649 CG1 VAL A 42 -3.505 4.842 -5.342 1.00 0.00 C ATOM 650 CG2 VAL A 42 -5.907 4.986 -6.010 1.00 0.00 C ATOM 0 H VAL A 42 -5.868 2.658 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.243 5.006 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.792 3.158 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.791 4.923 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.591 4.254 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.334 5.838 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.189 5.074 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.735 5.979 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.710 4.497 -6.562 1.00 0.00 H new ATOM 660 N GLN A 43 -1.905 4.290 -8.219 1.00 0.00 N ATOM 661 CA GLN A 43 -0.498 3.823 -8.381 1.00 0.00 C ATOM 662 C GLN A 43 0.449 4.801 -7.689 1.00 0.00 C ATOM 663 O GLN A 43 0.137 5.961 -7.514 1.00 0.00 O ATOM 664 CB GLN A 43 -0.212 3.782 -9.893 1.00 0.00 C ATOM 665 CG GLN A 43 -1.130 4.746 -10.653 1.00 0.00 C ATOM 666 CD GLN A 43 -0.875 4.619 -12.157 1.00 0.00 C ATOM 667 OE1 GLN A 43 0.350 4.505 -12.593 1.00 0.00 O flip ATOM 668 NE2 GLN A 43 -1.802 4.625 -12.942 1.00 0.00 N flip ATOM 0 H GLN A 43 -2.074 5.258 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.352 2.839 -7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.830 4.045 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.355 2.768 -10.266 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.173 4.522 -10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.947 5.770 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.759 4.714 -12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.623 4.541 -13.943 1.00 0.00 H new ATOM 677 N LEU A 44 1.599 4.343 -7.289 1.00 0.00 N ATOM 678 CA LEU A 44 2.563 5.246 -6.602 1.00 0.00 C ATOM 679 C LEU A 44 3.929 5.158 -7.286 1.00 0.00 C ATOM 680 O LEU A 44 4.583 4.138 -7.232 1.00 0.00 O ATOM 681 CB LEU A 44 2.631 4.718 -5.166 1.00 0.00 C ATOM 682 CG LEU A 44 1.241 4.807 -4.518 1.00 0.00 C ATOM 683 CD1 LEU A 44 1.315 4.365 -3.052 1.00 0.00 C ATOM 684 CD2 LEU A 44 0.739 6.251 -4.580 1.00 0.00 C ATOM 0 H LEU A 44 1.915 3.380 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 44 2.262 6.293 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.979 3.685 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.351 5.298 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 44 0.557 4.153 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.325 4.432 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.669 3.335 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.004 5.013 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.247 6.313 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.431 6.900 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.675 6.570 -5.620 1.00 0.00 H new ATOM 696 N THR A 45 4.352 6.224 -7.936 1.00 0.00 N ATOM 697 CA THR A 45 5.677 6.235 -8.655 1.00 0.00 C ATOM 698 C THR A 45 6.013 4.844 -9.211 1.00 0.00 C ATOM 699 O THR A 45 5.647 4.510 -10.321 1.00 0.00 O ATOM 700 CB THR A 45 6.736 6.700 -7.631 1.00 0.00 C ATOM 701 OG1 THR A 45 7.996 6.127 -7.955 1.00 0.00 O ATOM 702 CG2 THR A 45 6.341 6.285 -6.212 1.00 0.00 C ATOM 0 H THR A 45 3.830 7.098 -8.000 1.00 0.00 H new ATOM 0 HA THR A 45 5.649 6.909 -9.511 1.00 0.00 H new ATOM 0 HB THR A 45 6.800 7.787 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.667 6.424 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.102 6.623 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.383 6.736 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.257 5.199 -6.161 1.00 0.00 H new ATOM 710 N GLY A 46 6.700 4.032 -8.452 1.00 0.00 N ATOM 711 CA GLY A 46 7.044 2.676 -8.942 1.00 0.00 C ATOM 712 C GLY A 46 7.139 1.714 -7.758 1.00 0.00 C ATOM 713 O GLY A 46 7.874 0.748 -7.805 1.00 0.00 O ATOM 0 H GLY A 46 7.035 4.254 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.287 2.329 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.992 2.702 -9.480 1.00 0.00 H new ATOM 717 N PHE A 47 6.406 1.958 -6.695 1.00 0.00 N ATOM 718 CA PHE A 47 6.482 1.024 -5.534 1.00 0.00 C ATOM 719 C PHE A 47 5.094 0.565 -5.073 1.00 0.00 C ATOM 720 O PHE A 47 4.967 -0.487 -4.486 1.00 0.00 O ATOM 721 CB PHE A 47 7.246 1.759 -4.423 1.00 0.00 C ATOM 722 CG PHE A 47 6.417 2.855 -3.803 1.00 0.00 C ATOM 723 CD1 PHE A 47 5.337 2.542 -2.969 1.00 0.00 C ATOM 724 CD2 PHE A 47 6.745 4.188 -4.042 1.00 0.00 C ATOM 725 CE1 PHE A 47 4.589 3.563 -2.385 1.00 0.00 C ATOM 726 CE2 PHE A 47 6.001 5.202 -3.457 1.00 0.00 C ATOM 727 CZ PHE A 47 4.920 4.895 -2.629 1.00 0.00 C ATOM 0 H PHE A 47 5.771 2.749 -6.585 1.00 0.00 H new ATOM 0 HA PHE A 47 7.004 0.109 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.541 1.047 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.163 2.184 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.083 1.510 -2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.579 4.432 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.754 3.322 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.259 6.234 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.341 5.688 -2.178 1.00 0.00 H new ATOM 737 N LEU A 48 4.052 1.306 -5.332 1.00 0.00 N ATOM 738 CA LEU A 48 2.709 0.823 -4.887 1.00 0.00 C ATOM 739 C LEU A 48 1.680 0.910 -6.014 1.00 0.00 C ATOM 740 O LEU A 48 1.221 1.974 -6.379 1.00 0.00 O ATOM 741 CB LEU A 48 2.305 1.715 -3.716 1.00 0.00 C ATOM 742 CG LEU A 48 2.572 1.028 -2.360 1.00 0.00 C ATOM 743 CD1 LEU A 48 1.538 1.505 -1.349 1.00 0.00 C ATOM 744 CD2 LEU A 48 2.477 -0.498 -2.477 1.00 0.00 C ATOM 0 H LEU A 48 4.066 2.202 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 48 2.752 -0.226 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.858 2.653 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.247 1.965 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 48 3.580 1.289 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.720 1.024 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.614 2.586 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.539 1.247 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.670 -0.950 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.478 -0.776 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.215 -0.854 -3.196 1.00 0.00 H new ATOM 756 N ASN A 49 1.302 -0.220 -6.552 1.00 0.00 N ATOM 757 CA ASN A 49 0.286 -0.239 -7.645 1.00 0.00 C ATOM 758 C ASN A 49 -1.012 -0.879 -7.135 1.00 0.00 C ATOM 759 O ASN A 49 -1.159 -2.085 -7.125 1.00 0.00 O ATOM 760 CB ASN A 49 0.907 -1.092 -8.751 1.00 0.00 C ATOM 761 CG ASN A 49 0.560 -0.494 -10.115 1.00 0.00 C ATOM 762 OD1 ASN A 49 -0.505 0.063 -10.294 1.00 0.00 O ATOM 763 ND2 ASN A 49 1.421 -0.584 -11.092 1.00 0.00 N ATOM 0 H ASN A 49 1.656 -1.137 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 49 0.035 0.761 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.989 -1.136 -8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.537 -2.115 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.200 -0.187 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.315 -1.051 -10.942 1.00 0.00 H new ATOM 770 N ILE A 50 -1.947 -0.076 -6.700 1.00 0.00 N ATOM 771 CA ILE A 50 -3.236 -0.624 -6.173 1.00 0.00 C ATOM 772 C ILE A 50 -4.196 -0.911 -7.333 1.00 0.00 C ATOM 773 O ILE A 50 -4.258 -0.155 -8.284 1.00 0.00 O ATOM 774 CB ILE A 50 -3.807 0.497 -5.282 1.00 0.00 C ATOM 775 CG1 ILE A 50 -3.024 0.651 -3.957 1.00 0.00 C ATOM 776 CG2 ILE A 50 -5.269 0.186 -4.944 1.00 0.00 C ATOM 777 CD1 ILE A 50 -1.615 0.049 -4.047 1.00 0.00 C ATOM 0 H ILE A 50 -1.875 0.941 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.097 -1.557 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.720 1.428 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.951 1.708 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.575 0.165 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.673 0.978 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.850 0.122 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.325 -0.764 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.102 0.180 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.688 -1.014 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.054 0.553 -4.834 1.00 0.00 H new ATOM 789 N LYS A 51 -4.965 -1.976 -7.269 1.00 0.00 N ATOM 790 CA LYS A 51 -5.917 -2.238 -8.390 1.00 0.00 C ATOM 791 C LYS A 51 -7.070 -3.136 -7.918 1.00 0.00 C ATOM 792 O LYS A 51 -6.841 -4.175 -7.336 1.00 0.00 O ATOM 793 CB LYS A 51 -5.088 -2.925 -9.481 1.00 0.00 C ATOM 794 CG LYS A 51 -4.563 -4.272 -8.977 1.00 0.00 C ATOM 795 CD LYS A 51 -3.820 -4.985 -10.108 1.00 0.00 C ATOM 796 CE LYS A 51 -4.778 -5.943 -10.819 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.040 -6.398 -12.031 1.00 0.00 N ATOM 0 H LYS A 51 -4.974 -2.656 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.374 -1.320 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.698 -3.075 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.253 -2.286 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.896 -4.120 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.390 -4.888 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.425 -4.256 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.968 -5.535 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.042 -6.785 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.708 -5.443 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.634 -7.059 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.808 -5.576 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.162 -6.876 -11.744 1.00 0.00 H new ATOM 811 N PRO A 52 -8.280 -2.699 -8.168 1.00 0.00 N ATOM 812 CA PRO A 52 -9.461 -3.476 -7.744 1.00 0.00 C ATOM 813 C PRO A 52 -9.840 -4.545 -8.772 1.00 0.00 C ATOM 814 O PRO A 52 -9.759 -4.345 -9.968 1.00 0.00 O ATOM 815 CB PRO A 52 -10.560 -2.428 -7.656 1.00 0.00 C ATOM 816 CG PRO A 52 -10.151 -1.334 -8.593 1.00 0.00 C ATOM 817 CD PRO A 52 -8.665 -1.457 -8.846 1.00 0.00 C ATOM 0 HA PRO A 52 -9.285 -4.011 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.525 -2.847 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.663 -2.053 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.703 -1.410 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.384 -0.359 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.446 -1.503 -9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.122 -0.601 -8.446 1.00 0.00 H new ATOM 825 N VAL A 53 -10.287 -5.666 -8.289 1.00 0.00 N ATOM 826 CA VAL A 53 -10.728 -6.777 -9.172 1.00 0.00 C ATOM 827 C VAL A 53 -12.062 -7.270 -8.646 1.00 0.00 C ATOM 828 O VAL A 53 -12.799 -6.506 -8.065 1.00 0.00 O ATOM 829 CB VAL A 53 -9.633 -7.845 -9.060 1.00 0.00 C ATOM 830 CG1 VAL A 53 -8.299 -7.250 -9.513 1.00 0.00 C ATOM 831 CG2 VAL A 53 -9.508 -8.314 -7.607 1.00 0.00 C ATOM 0 H VAL A 53 -10.367 -5.864 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.863 -6.495 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.894 -8.694 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.518 -8.006 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.381 -6.919 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.046 -6.400 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.728 -9.072 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.249 -7.467 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.457 -8.737 -7.278 1.00 0.00 H new ATOM 841 N ALA A 54 -12.377 -8.522 -8.802 1.00 0.00 N ATOM 842 CA ALA A 54 -13.675 -9.008 -8.239 1.00 0.00 C ATOM 843 C ALA A 54 -13.787 -10.529 -8.211 1.00 0.00 C ATOM 844 O ALA A 54 -13.317 -11.227 -9.087 1.00 0.00 O ATOM 845 CB ALA A 54 -14.793 -8.343 -9.056 1.00 0.00 C ATOM 0 H ALA A 54 -11.810 -9.221 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.753 -8.726 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.762 -8.670 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.715 -7.260 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.696 -8.627 -10.104 1.00 0.00 H new ATOM 1164 N VAL A 75 -15.248 -8.494 -5.885 1.00 0.00 N ATOM 1165 CA VAL A 75 -14.358 -7.286 -6.080 1.00 0.00 C ATOM 1166 C VAL A 75 -13.146 -7.471 -5.178 1.00 0.00 C ATOM 1167 O VAL A 75 -13.253 -7.980 -4.079 1.00 0.00 O ATOM 1168 CB VAL A 75 -15.139 -6.020 -5.750 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -14.296 -5.050 -4.903 1.00 0.00 C ATOM 1170 CG2 VAL A 75 -15.518 -5.308 -7.054 1.00 0.00 C ATOM 0 HA VAL A 75 -14.023 -7.188 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 75 -16.026 -6.308 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.880 -4.156 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.011 -5.535 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.399 -4.770 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -16.077 -4.401 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.613 -5.047 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.134 -5.969 -7.664 1.00 0.00 H new ATOM 1180 N GLY A 76 -11.993 -7.099 -5.639 1.00 0.00 N ATOM 1181 CA GLY A 76 -10.777 -7.303 -4.801 1.00 0.00 C ATOM 1182 C GLY A 76 -9.782 -6.168 -5.006 1.00 0.00 C ATOM 1183 O GLY A 76 -9.175 -6.032 -6.049 1.00 0.00 O ATOM 0 H GLY A 76 -11.834 -6.667 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.060 -7.359 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.309 -8.254 -5.057 1.00 0.00 H new ATOM 1187 N VAL A 77 -9.603 -5.363 -4.006 1.00 0.00 N ATOM 1188 CA VAL A 77 -8.637 -4.236 -4.112 1.00 0.00 C ATOM 1189 C VAL A 77 -7.211 -4.754 -3.969 1.00 0.00 C ATOM 1190 O VAL A 77 -6.616 -4.679 -2.911 1.00 0.00 O ATOM 1191 CB VAL A 77 -8.991 -3.300 -2.955 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -8.993 -4.071 -1.625 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -7.957 -2.184 -2.891 1.00 0.00 C ATOM 0 H VAL A 77 -10.086 -5.434 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.695 -3.729 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.985 -2.884 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.247 -3.392 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.729 -4.873 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.005 -4.495 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.199 -1.510 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.968 -2.613 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.962 -1.629 -3.829 1.00 0.00 H new ATOM 1203 N SER A 78 -6.657 -5.267 -5.028 1.00 0.00 N ATOM 1204 CA SER A 78 -5.264 -5.775 -4.947 1.00 0.00 C ATOM 1205 C SER A 78 -4.302 -4.604 -4.718 1.00 0.00 C ATOM 1206 O SER A 78 -4.701 -3.461 -4.676 1.00 0.00 O ATOM 1207 CB SER A 78 -5.000 -6.449 -6.293 1.00 0.00 C ATOM 1208 OG SER A 78 -3.599 -6.488 -6.537 1.00 0.00 O ATOM 0 H SER A 78 -7.105 -5.356 -5.940 1.00 0.00 H new ATOM 0 HA SER A 78 -5.120 -6.473 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.408 -7.460 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.504 -5.903 -7.090 1.00 0.00 H new ATOM 0 HG SER A 78 -3.429 -6.922 -7.399 1.00 0.00 H new ATOM 1214 N VAL A 79 -3.045 -4.907 -4.589 1.00 0.00 N ATOM 1215 CA VAL A 79 -1.985 -3.873 -4.362 1.00 0.00 C ATOM 1216 C VAL A 79 -0.629 -4.595 -4.352 1.00 0.00 C ATOM 1217 O VAL A 79 -0.579 -5.809 -4.352 1.00 0.00 O ATOM 1218 CB VAL A 79 -2.279 -3.311 -2.946 1.00 0.00 C ATOM 1219 CG1 VAL A 79 -1.017 -2.702 -2.323 1.00 0.00 C ATOM 1220 CG2 VAL A 79 -3.362 -2.233 -3.003 1.00 0.00 C ATOM 0 H VAL A 79 -2.689 -5.862 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.971 -3.088 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.622 -4.145 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.251 -2.316 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.246 -3.468 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.656 -1.889 -2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.551 -1.854 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.029 -1.416 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.279 -2.660 -3.408 1.00 0.00 H new ATOM 1230 N LYS A 80 0.462 -3.875 -4.268 1.00 0.00 N ATOM 1231 CA LYS A 80 1.787 -4.546 -4.174 1.00 0.00 C ATOM 1232 C LYS A 80 2.912 -3.508 -4.103 1.00 0.00 C ATOM 1233 O LYS A 80 2.699 -2.340 -4.337 1.00 0.00 O ATOM 1234 CB LYS A 80 1.922 -5.376 -5.459 1.00 0.00 C ATOM 1235 CG LYS A 80 1.807 -4.460 -6.682 1.00 0.00 C ATOM 1236 CD LYS A 80 1.061 -5.190 -7.801 1.00 0.00 C ATOM 1237 CE LYS A 80 1.635 -4.773 -9.158 1.00 0.00 C ATOM 1238 NZ LYS A 80 2.534 -5.893 -9.555 1.00 0.00 N ATOM 0 H LYS A 80 0.489 -2.855 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 80 1.859 -5.163 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.881 -5.894 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.146 -6.141 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.278 -3.545 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.800 -4.167 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.155 -6.268 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.002 -4.955 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.844 -4.623 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.183 -3.834 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.966 -5.681 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.281 -6.008 -8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.983 -6.772 -9.625 1.00 0.00 H new ATOM 1252 N PRO A 81 4.085 -4.002 -3.826 1.00 0.00 N ATOM 1253 CA PRO A 81 5.296 -3.175 -3.756 1.00 0.00 C ATOM 1254 C PRO A 81 6.042 -3.200 -5.093 1.00 0.00 C ATOM 1255 O PRO A 81 6.095 -4.209 -5.769 1.00 0.00 O ATOM 1256 CB PRO A 81 6.124 -3.885 -2.694 1.00 0.00 C ATOM 1257 CG PRO A 81 5.661 -5.316 -2.714 1.00 0.00 C ATOM 1258 CD PRO A 81 4.380 -5.381 -3.510 1.00 0.00 C ATOM 0 HA PRO A 81 5.090 -2.128 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.189 -3.814 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.971 -3.437 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.421 -5.956 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.498 -5.678 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.503 -5.978 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.576 -5.838 -2.933 1.00 0.00 H new ATOM 1266 N GLY A 82 6.636 -2.105 -5.460 1.00 0.00 N ATOM 1267 CA GLY A 82 7.405 -2.056 -6.739 1.00 0.00 C ATOM 1268 C GLY A 82 8.901 -2.053 -6.415 1.00 0.00 C ATOM 1269 O GLY A 82 9.293 -2.238 -5.279 1.00 0.00 O ATOM 0 H GLY A 82 6.625 -1.234 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.156 -2.915 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.140 -1.163 -7.305 1.00 0.00 H new ATOM 1273 N GLU A 83 9.746 -1.846 -7.394 1.00 0.00 N ATOM 1274 CA GLU A 83 11.211 -1.837 -7.110 1.00 0.00 C ATOM 1275 C GLU A 83 11.617 -0.522 -6.451 1.00 0.00 C ATOM 1276 O GLU A 83 12.584 -0.466 -5.717 1.00 0.00 O ATOM 1277 CB GLU A 83 11.908 -1.990 -8.458 1.00 0.00 C ATOM 1278 CG GLU A 83 11.493 -0.854 -9.397 1.00 0.00 C ATOM 1279 CD GLU A 83 11.046 -1.433 -10.741 1.00 0.00 C ATOM 1280 OE1 GLU A 83 11.805 -2.194 -11.318 1.00 0.00 O ATOM 1281 OE2 GLU A 83 9.951 -1.107 -11.170 1.00 0.00 O ATOM 0 H GLU A 83 9.487 -1.685 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 83 11.486 -2.641 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.989 -1.982 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.651 -2.952 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.682 -0.278 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.327 -0.168 -9.545 1.00 0.00 H new ATOM 1288 N SER A 84 10.884 0.534 -6.691 1.00 0.00 N ATOM 1289 CA SER A 84 11.238 1.835 -6.048 1.00 0.00 C ATOM 1290 C SER A 84 11.341 1.618 -4.537 1.00 0.00 C ATOM 1291 O SER A 84 12.075 2.293 -3.841 1.00 0.00 O ATOM 1292 CB SER A 84 10.087 2.781 -6.392 1.00 0.00 C ATOM 1293 OG SER A 84 9.979 3.781 -5.387 1.00 0.00 O ATOM 0 H SER A 84 10.064 0.553 -7.298 1.00 0.00 H new ATOM 0 HA SER A 84 12.190 2.242 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.260 3.244 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.154 2.223 -6.467 1.00 0.00 H new ATOM 0 HG SER A 84 9.354 4.476 -5.683 1.00 0.00 H new ATOM 1299 N LEU A 85 10.618 0.651 -4.042 1.00 0.00 N ATOM 1300 CA LEU A 85 10.660 0.333 -2.591 1.00 0.00 C ATOM 1301 C LEU A 85 11.831 -0.604 -2.312 1.00 0.00 C ATOM 1302 O LEU A 85 12.397 -0.601 -1.238 1.00 0.00 O ATOM 1303 CB LEU A 85 9.332 -0.373 -2.311 1.00 0.00 C ATOM 1304 CG LEU A 85 8.454 0.505 -1.419 1.00 0.00 C ATOM 1305 CD1 LEU A 85 7.030 -0.058 -1.379 1.00 0.00 C ATOM 1306 CD2 LEU A 85 9.037 0.536 -0.001 1.00 0.00 C ATOM 0 H LEU A 85 9.992 0.061 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 85 10.792 1.216 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.817 -0.584 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.515 -1.332 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 85 8.427 1.517 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.408 0.571 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.617 -0.074 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.051 -1.072 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.412 1.162 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.067 -0.476 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.047 0.945 -0.032 1.00 0.00 H new ATOM 1318 N LYS A 86 12.202 -1.407 -3.272 1.00 0.00 N ATOM 1319 CA LYS A 86 13.340 -2.338 -3.055 1.00 0.00 C ATOM 1320 C LYS A 86 14.650 -1.618 -3.327 1.00 0.00 C ATOM 1321 O LYS A 86 15.669 -1.910 -2.731 1.00 0.00 O ATOM 1322 CB LYS A 86 13.128 -3.483 -4.048 1.00 0.00 C ATOM 1323 CG LYS A 86 12.583 -4.712 -3.316 1.00 0.00 C ATOM 1324 CD LYS A 86 11.409 -5.303 -4.103 1.00 0.00 C ATOM 1325 CE LYS A 86 11.893 -5.769 -5.479 1.00 0.00 C ATOM 1326 NZ LYS A 86 11.238 -7.090 -5.690 1.00 0.00 N ATOM 0 H LYS A 86 11.767 -1.457 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 86 13.384 -2.708 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.432 -3.175 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.069 -3.729 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.370 -5.458 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.259 -4.436 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.977 -6.141 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.623 -4.557 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.612 -5.060 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.979 -5.858 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.521 -7.474 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.530 -7.746 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.205 -6.973 -5.666 1.00 0.00 H new ATOM 1340 N LYS A 87 14.621 -0.655 -4.194 1.00 0.00 N ATOM 1341 CA LYS A 87 15.852 0.114 -4.476 1.00 0.00 C ATOM 1342 C LYS A 87 16.068 1.060 -3.301 1.00 0.00 C ATOM 1343 O LYS A 87 17.176 1.256 -2.815 1.00 0.00 O ATOM 1344 CB LYS A 87 15.558 0.867 -5.780 1.00 0.00 C ATOM 1345 CG LYS A 87 16.699 1.846 -6.089 1.00 0.00 C ATOM 1346 CD LYS A 87 17.559 1.297 -7.233 1.00 0.00 C ATOM 1347 CE LYS A 87 18.975 1.017 -6.724 1.00 0.00 C ATOM 1348 NZ LYS A 87 19.750 2.247 -7.048 1.00 0.00 N ATOM 0 H LYS A 87 13.796 -0.367 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 87 16.752 -0.490 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.443 0.159 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.616 1.409 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.291 2.819 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.312 1.996 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.116 0.382 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.592 2.014 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.977 0.820 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.403 0.141 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 20.733 2.132 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.736 2.406 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.323 3.063 -6.566 1.00 0.00 H new ATOM 1362 N ALA A 88 14.995 1.598 -2.788 1.00 0.00 N ATOM 1363 CA ALA A 88 15.126 2.475 -1.608 1.00 0.00 C ATOM 1364 C ALA A 88 15.616 1.610 -0.451 1.00 0.00 C ATOM 1365 O ALA A 88 16.357 2.047 0.414 1.00 0.00 O ATOM 1366 CB ALA A 88 13.716 3.007 -1.345 1.00 0.00 C ATOM 0 H ALA A 88 14.045 1.466 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 88 15.825 3.300 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.733 3.669 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.367 3.559 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.043 2.172 -1.151 1.00 0.00 H new ATOM 1372 N ALA A 89 15.199 0.364 -0.435 1.00 0.00 N ATOM 1373 CA ALA A 89 15.636 -0.536 0.665 1.00 0.00 C ATOM 1374 C ALA A 89 17.097 -0.873 0.440 1.00 0.00 C ATOM 1375 O ALA A 89 17.842 -1.083 1.377 1.00 0.00 O ATOM 1376 CB ALA A 89 14.722 -1.766 0.625 1.00 0.00 C ATOM 0 H ALA A 89 14.583 -0.058 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 89 15.557 -0.083 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.007 -2.457 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.687 -1.455 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.821 -2.261 -0.341 1.00 0.00 H new ATOM 1382 N GLU A 90 17.541 -0.839 -0.797 1.00 0.00 N ATOM 1383 CA GLU A 90 18.987 -1.057 -1.048 1.00 0.00 C ATOM 1384 C GLU A 90 19.697 -0.026 -0.177 1.00 0.00 C ATOM 1385 O GLU A 90 20.736 -0.274 0.403 1.00 0.00 O ATOM 1386 CB GLU A 90 19.201 -0.777 -2.538 1.00 0.00 C ATOM 1387 CG GLU A 90 19.979 -1.932 -3.174 1.00 0.00 C ATOM 1388 CD GLU A 90 21.425 -1.499 -3.429 1.00 0.00 C ATOM 1389 OE1 GLU A 90 22.114 -1.206 -2.466 1.00 0.00 O ATOM 1390 OE2 GLU A 90 21.817 -1.468 -4.584 1.00 0.00 O ATOM 0 H GLU A 90 16.969 -0.672 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 90 19.354 -2.057 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.239 -0.655 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 90 19.748 0.157 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.960 -2.802 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.507 -2.229 -4.111 1.00 0.00 H new ATOM 1397 N GLY A 91 19.074 1.125 -0.041 1.00 0.00 N ATOM 1398 CA GLY A 91 19.631 2.183 0.846 1.00 0.00 C ATOM 1399 C GLY A 91 19.627 1.643 2.283 1.00 0.00 C ATOM 1400 O GLY A 91 20.630 1.681 2.969 1.00 0.00 O ATOM 0 H GLY A 91 18.202 1.371 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.644 2.444 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.033 3.092 0.778 1.00 0.00 H new ATOM 1404 N LEU A 92 18.505 1.111 2.742 1.00 0.00 N ATOM 1405 CA LEU A 92 18.440 0.537 4.122 1.00 0.00 C ATOM 1406 C LEU A 92 19.601 -0.426 4.384 1.00 0.00 C ATOM 1407 O LEU A 92 19.817 -0.847 5.503 1.00 0.00 O ATOM 1408 CB LEU A 92 17.127 -0.257 4.149 1.00 0.00 C ATOM 1409 CG LEU A 92 16.116 0.456 5.017 1.00 0.00 C ATOM 1410 CD1 LEU A 92 14.827 -0.365 5.084 1.00 0.00 C ATOM 1411 CD2 LEU A 92 16.678 0.638 6.431 1.00 0.00 C ATOM 0 H LEU A 92 17.635 1.054 2.213 1.00 0.00 H new ATOM 0 HA LEU A 92 18.495 1.322 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.737 -0.368 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.306 -1.261 4.533 1.00 0.00 H new ATOM 0 HG LEU A 92 15.904 1.434 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.099 0.151 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.420 -0.486 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.042 -1.345 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.944 1.153 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.898 -0.338 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.593 1.229 6.386 1.00 0.00 H new ATOM 1423 N LYS A 93 20.316 -0.816 3.358 1.00 0.00 N ATOM 1424 CA LYS A 93 21.427 -1.795 3.538 1.00 0.00 C ATOM 1425 C LYS A 93 20.799 -3.162 3.776 1.00 0.00 C ATOM 1426 O LYS A 93 20.960 -3.773 4.816 1.00 0.00 O ATOM 1427 CB LYS A 93 22.234 -1.329 4.757 1.00 0.00 C ATOM 1428 CG LYS A 93 23.712 -1.660 4.549 1.00 0.00 C ATOM 1429 CD LYS A 93 24.352 -0.605 3.644 1.00 0.00 C ATOM 1430 CE LYS A 93 25.087 0.429 4.501 1.00 0.00 C ATOM 1431 NZ LYS A 93 26.521 0.027 4.442 1.00 0.00 N ATOM 0 H LYS A 93 20.176 -0.496 2.400 1.00 0.00 H new ATOM 0 HA LYS A 93 22.086 -1.860 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 93 22.108 -0.256 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.865 -1.817 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 93 24.227 -1.691 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 93 23.814 -2.648 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 93 25.048 -1.079 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.587 -0.115 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.943 1.437 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.718 0.426 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 27.091 0.689 5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 26.628 -0.934 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 26.846 0.045 3.454 1.00 0.00 H new ATOM 1445 N TYR A 94 20.052 -3.626 2.808 1.00 0.00 N ATOM 1446 CA TYR A 94 19.360 -4.941 2.923 1.00 0.00 C ATOM 1447 C TYR A 94 20.234 -5.965 3.658 1.00 0.00 C ATOM 1448 O TYR A 94 19.752 -6.741 4.461 1.00 0.00 O ATOM 1449 CB TYR A 94 19.118 -5.368 1.479 1.00 0.00 C ATOM 1450 CG TYR A 94 18.671 -6.801 1.459 1.00 0.00 C ATOM 1451 CD1 TYR A 94 17.322 -7.115 1.614 1.00 0.00 C ATOM 1452 CD2 TYR A 94 19.612 -7.811 1.294 1.00 0.00 C ATOM 1453 CE1 TYR A 94 16.911 -8.456 1.600 1.00 0.00 C ATOM 1454 CE2 TYR A 94 19.209 -9.150 1.282 1.00 0.00 C ATOM 1455 CZ TYR A 94 17.857 -9.473 1.435 1.00 0.00 C ATOM 1456 OH TYR A 94 17.455 -10.793 1.421 1.00 0.00 O ATOM 0 H TYR A 94 19.891 -3.138 1.927 1.00 0.00 H new ATOM 0 HA TYR A 94 18.436 -4.872 3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.361 -4.732 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.030 -5.250 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.595 -6.327 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.656 -7.561 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.866 -8.703 1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 94 19.941 -9.934 1.155 1.00 0.00 H new ATOM 0 HH TYR A 94 18.236 -11.372 1.296 1.00 0.00 H new ATOM 1466 N GLU A 95 21.513 -5.972 3.391 1.00 0.00 N ATOM 1467 CA GLU A 95 22.411 -6.947 4.082 1.00 0.00 C ATOM 1468 C GLU A 95 22.260 -6.803 5.595 1.00 0.00 C ATOM 1469 O GLU A 95 22.154 -7.778 6.313 1.00 0.00 O ATOM 1470 CB GLU A 95 23.830 -6.596 3.636 1.00 0.00 C ATOM 1471 CG GLU A 95 24.149 -5.143 3.994 1.00 0.00 C ATOM 1472 CD GLU A 95 25.413 -4.700 3.255 1.00 0.00 C ATOM 1473 OE1 GLU A 95 25.479 -4.908 2.055 1.00 0.00 O ATOM 1474 OE2 GLU A 95 26.296 -4.161 3.902 1.00 0.00 O ATOM 0 H GLU A 95 21.974 -5.349 2.728 1.00 0.00 H new ATOM 0 HA GLU A 95 22.169 -7.980 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 95 24.546 -7.263 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 95 23.929 -6.744 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 95 23.312 -4.499 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 95 24.291 -5.046 5.070 1.00 0.00 H new ATOM 1547 N MET B 1 -5.429 7.054 -9.928 1.00 0.00 N ATOM 1548 CA MET B 1 -4.613 8.281 -9.696 1.00 0.00 C ATOM 1549 C MET B 1 -3.129 7.924 -9.613 1.00 0.00 C ATOM 1550 O MET B 1 -2.730 6.827 -9.942 1.00 0.00 O ATOM 1551 CB MET B 1 -5.092 8.829 -8.354 1.00 0.00 C ATOM 1552 CG MET B 1 -6.386 9.623 -8.546 1.00 0.00 C ATOM 1553 SD MET B 1 -7.612 9.098 -7.321 1.00 0.00 S ATOM 1554 CE MET B 1 -6.534 9.196 -5.868 1.00 0.00 C ATOM 0 H1 MET B 1 -5.927 7.135 -10.837 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.806 6.221 -9.948 1.00 0.00 H new ATOM 0 H3 MET B 1 -6.123 6.949 -9.161 1.00 0.00 H new ATOM 0 HA MET B 1 -4.727 9.004 -10.503 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.259 8.009 -7.655 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.324 9.468 -7.918 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.188 10.690 -8.442 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.774 9.467 -9.553 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.140 9.351 -4.975 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.972 8.267 -5.768 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.841 10.029 -5.985 1.00 0.00 H new ATOM 1566 N ASN B 2 -2.307 8.841 -9.161 1.00 0.00 N ATOM 1567 CA ASN B 2 -0.848 8.545 -9.047 1.00 0.00 C ATOM 1568 C ASN B 2 -0.110 9.694 -8.352 1.00 0.00 C ATOM 1569 O ASN B 2 -0.708 10.508 -7.682 1.00 0.00 O ATOM 1570 CB ASN B 2 -0.353 8.378 -10.487 1.00 0.00 C ATOM 1571 CG ASN B 2 0.831 7.409 -10.519 1.00 0.00 C ATOM 1572 OD1 ASN B 2 1.428 7.123 -9.499 1.00 0.00 O ATOM 1573 ND2 ASN B 2 1.201 6.887 -11.657 1.00 0.00 N ATOM 0 H ASN B 2 -2.584 9.778 -8.868 1.00 0.00 H new ATOM 0 HA ASN B 2 -0.665 7.653 -8.448 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -1.159 8.002 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -0.055 9.345 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN B 2 1.989 6.241 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN B 2 0.702 7.125 -12.514 1.00 0.00 H new ATOM 1580 N LYS B 3 1.190 9.765 -8.512 1.00 0.00 N ATOM 1581 CA LYS B 3 1.973 10.866 -7.861 1.00 0.00 C ATOM 1582 C LYS B 3 1.421 12.248 -8.267 1.00 0.00 C ATOM 1583 O LYS B 3 1.895 13.266 -7.806 1.00 0.00 O ATOM 1584 CB LYS B 3 3.417 10.687 -8.354 1.00 0.00 C ATOM 1585 CG LYS B 3 4.396 10.798 -7.171 1.00 0.00 C ATOM 1586 CD LYS B 3 5.541 9.787 -7.347 1.00 0.00 C ATOM 1587 CE LYS B 3 6.708 10.121 -6.399 1.00 0.00 C ATOM 1588 NZ LYS B 3 7.349 11.330 -6.990 1.00 0.00 N ATOM 0 H LYS B 3 1.743 9.110 -9.064 1.00 0.00 H new ATOM 0 HA LYS B 3 1.909 10.818 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.527 9.716 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.651 11.444 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS B 3 4.797 11.810 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS B 3 3.872 10.609 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.178 8.779 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.889 9.799 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.352 10.317 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.413 9.292 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 8.144 11.630 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 7.699 11.106 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 6.651 12.099 -7.049 1.00 0.00 H new ATOM 1602 N THR B 4 0.421 12.293 -9.120 1.00 0.00 N ATOM 1603 CA THR B 4 -0.162 13.604 -9.538 1.00 0.00 C ATOM 1604 C THR B 4 -1.665 13.634 -9.223 1.00 0.00 C ATOM 1605 O THR B 4 -2.150 14.459 -8.461 1.00 0.00 O ATOM 1606 CB THR B 4 0.071 13.677 -11.050 1.00 0.00 C ATOM 1607 OG1 THR B 4 1.467 13.735 -11.308 1.00 0.00 O ATOM 1608 CG2 THR B 4 -0.608 14.925 -11.622 1.00 0.00 C ATOM 0 H THR B 4 -0.015 11.474 -9.544 1.00 0.00 H new ATOM 0 HA THR B 4 0.292 14.446 -9.016 1.00 0.00 H new ATOM 0 HB THR B 4 -0.353 12.792 -11.524 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.619 13.780 -12.275 1.00 0.00 H new ATOM 0 HG21 THR B 4 -0.438 14.971 -12.698 1.00 0.00 H new ATOM 0 HG22 THR B 4 -1.679 14.879 -11.425 1.00 0.00 H new ATOM 0 HG23 THR B 4 -0.190 15.815 -11.151 1.00 0.00 H new ATOM 1616 N GLU B 5 -2.412 12.734 -9.795 1.00 0.00 N ATOM 1617 CA GLU B 5 -3.877 12.712 -9.525 1.00 0.00 C ATOM 1618 C GLU B 5 -4.107 12.709 -8.016 1.00 0.00 C ATOM 1619 O GLU B 5 -4.891 13.481 -7.497 1.00 0.00 O ATOM 1620 CB GLU B 5 -4.397 11.428 -10.170 1.00 0.00 C ATOM 1621 CG GLU B 5 -4.044 11.417 -11.661 1.00 0.00 C ATOM 1622 CD GLU B 5 -5.258 10.964 -12.474 1.00 0.00 C ATOM 1623 OE1 GLU B 5 -5.997 10.128 -11.982 1.00 0.00 O ATOM 1624 OE2 GLU B 5 -5.429 11.462 -13.573 1.00 0.00 O ATOM 0 H GLU B 5 -2.075 12.015 -10.435 1.00 0.00 H new ATOM 0 HA GLU B 5 -4.394 13.582 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.960 10.560 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.477 11.357 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -3.732 12.412 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -3.203 10.747 -11.841 1.00 0.00 H new ATOM 1631 N LEU B 6 -3.413 11.864 -7.303 1.00 0.00 N ATOM 1632 CA LEU B 6 -3.588 11.848 -5.824 1.00 0.00 C ATOM 1633 C LEU B 6 -3.217 13.211 -5.231 1.00 0.00 C ATOM 1634 O LEU B 6 -3.803 13.637 -4.256 1.00 0.00 O ATOM 1635 CB LEU B 6 -2.646 10.761 -5.301 1.00 0.00 C ATOM 1636 CG LEU B 6 -3.371 9.416 -5.282 1.00 0.00 C ATOM 1637 CD1 LEU B 6 -2.351 8.284 -5.413 1.00 0.00 C ATOM 1638 CD2 LEU B 6 -4.129 9.265 -3.961 1.00 0.00 C ATOM 0 H LEU B 6 -2.741 11.193 -7.675 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.622 11.646 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.760 10.699 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.304 11.015 -4.298 1.00 0.00 H new ATOM 0 HG LEU B 6 -4.074 9.371 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.868 7.325 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.808 8.390 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -1.648 8.329 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -4.647 8.306 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.425 9.310 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -4.856 10.071 -3.865 1.00 0.00 H new ATOM 1650 N ILE B 7 -2.256 13.915 -5.797 1.00 0.00 N ATOM 1651 CA ILE B 7 -1.906 15.245 -5.212 1.00 0.00 C ATOM 1652 C ILE B 7 -3.148 16.116 -5.226 1.00 0.00 C ATOM 1653 O ILE B 7 -3.462 16.768 -4.256 1.00 0.00 O ATOM 1654 CB ILE B 7 -0.753 15.850 -6.041 1.00 0.00 C ATOM 1655 CG1 ILE B 7 -1.240 16.460 -7.365 1.00 0.00 C ATOM 1656 CG2 ILE B 7 0.292 14.776 -6.323 1.00 0.00 C ATOM 1657 CD1 ILE B 7 -1.089 17.981 -7.312 1.00 0.00 C ATOM 0 H ILE B 7 -1.716 13.632 -6.615 1.00 0.00 H new ATOM 0 HA ILE B 7 -1.569 15.161 -4.179 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.316 16.657 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -0.664 16.056 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -2.282 16.193 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE B 7 1.105 15.205 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE B 7 0.685 14.394 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.166 13.960 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -1.434 18.414 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -1.684 18.377 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -0.041 18.237 -7.158 1.00 0.00 H new ATOM 1669 N LYS B 8 -3.887 16.088 -6.296 1.00 0.00 N ATOM 1670 CA LYS B 8 -5.145 16.874 -6.335 1.00 0.00 C ATOM 1671 C LYS B 8 -6.114 16.252 -5.329 1.00 0.00 C ATOM 1672 O LYS B 8 -6.906 16.931 -4.705 1.00 0.00 O ATOM 1673 CB LYS B 8 -5.656 16.764 -7.783 1.00 0.00 C ATOM 1674 CG LYS B 8 -6.877 15.838 -7.857 1.00 0.00 C ATOM 1675 CD LYS B 8 -7.297 15.658 -9.319 1.00 0.00 C ATOM 1676 CE LYS B 8 -6.799 14.306 -9.835 1.00 0.00 C ATOM 1677 NZ LYS B 8 -7.970 13.706 -10.535 1.00 0.00 N ATOM 0 H LYS B 8 -3.675 15.557 -7.141 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.022 17.924 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -5.920 17.753 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -4.863 16.381 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -6.640 14.871 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.701 16.259 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.382 15.714 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -6.887 16.464 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -5.954 14.429 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.461 13.671 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.707 12.775 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -8.756 13.595 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -8.265 14.329 -11.314 1.00 0.00 H new ATOM 1691 N ALA B 9 -6.029 14.956 -5.150 1.00 0.00 N ATOM 1692 CA ALA B 9 -6.910 14.274 -4.167 1.00 0.00 C ATOM 1693 C ALA B 9 -6.615 14.814 -2.772 1.00 0.00 C ATOM 1694 O ALA B 9 -7.486 14.898 -1.928 1.00 0.00 O ATOM 1695 CB ALA B 9 -6.523 12.805 -4.251 1.00 0.00 C ATOM 0 H ALA B 9 -5.383 14.344 -5.648 1.00 0.00 H new ATOM 0 HA ALA B 9 -7.970 14.429 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -7.130 12.228 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -6.692 12.442 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -5.469 12.691 -3.996 1.00 0.00 H new ATOM 1701 N ILE B 10 -5.393 15.210 -2.536 1.00 0.00 N ATOM 1702 CA ILE B 10 -5.034 15.773 -1.231 1.00 0.00 C ATOM 1703 C ILE B 10 -5.105 17.279 -1.375 1.00 0.00 C ATOM 1704 O ILE B 10 -5.480 17.969 -0.467 1.00 0.00 O ATOM 1705 CB ILE B 10 -3.603 15.262 -0.977 1.00 0.00 C ATOM 1706 CG1 ILE B 10 -3.657 14.061 -0.032 1.00 0.00 C ATOM 1707 CG2 ILE B 10 -2.728 16.353 -0.354 1.00 0.00 C ATOM 1708 CD1 ILE B 10 -4.251 12.856 -0.767 1.00 0.00 C ATOM 0 H ILE B 10 -4.628 15.161 -3.209 1.00 0.00 H new ATOM 0 HA ILE B 10 -5.680 15.491 -0.399 1.00 0.00 H new ATOM 0 HB ILE B 10 -3.166 14.974 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -2.656 13.823 0.328 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.262 14.301 0.843 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -1.724 15.963 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -2.677 17.208 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.159 16.666 0.597 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -4.289 12.001 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -5.259 13.097 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -3.628 12.612 -1.628 1.00 0.00 H new ATOM 1720 N ALA B 11 -4.794 17.780 -2.542 1.00 0.00 N ATOM 1721 CA ALA B 11 -4.880 19.247 -2.771 1.00 0.00 C ATOM 1722 C ALA B 11 -6.335 19.675 -2.629 1.00 0.00 C ATOM 1723 O ALA B 11 -6.633 20.777 -2.213 1.00 0.00 O ATOM 1724 CB ALA B 11 -4.378 19.457 -4.195 1.00 0.00 C ATOM 0 H ALA B 11 -4.484 17.233 -3.345 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.294 19.832 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.411 20.519 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -3.352 19.098 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.011 18.905 -4.889 1.00 0.00 H new ATOM 1730 N GLN B 12 -7.243 18.791 -2.939 1.00 0.00 N ATOM 1731 CA GLN B 12 -8.677 19.127 -2.784 1.00 0.00 C ATOM 1732 C GLN B 12 -9.106 18.740 -1.374 1.00 0.00 C ATOM 1733 O GLN B 12 -9.836 19.459 -0.719 1.00 0.00 O ATOM 1734 CB GLN B 12 -9.415 18.320 -3.863 1.00 0.00 C ATOM 1735 CG GLN B 12 -9.566 16.854 -3.435 1.00 0.00 C ATOM 1736 CD GLN B 12 -10.391 16.102 -4.481 1.00 0.00 C ATOM 1737 OE1 GLN B 12 -9.986 15.062 -4.960 1.00 0.00 O ATOM 1738 NE2 GLN B 12 -11.542 16.587 -4.857 1.00 0.00 N ATOM 0 H GLN B 12 -7.050 17.854 -3.292 1.00 0.00 H new ATOM 0 HA GLN B 12 -8.895 20.188 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -10.398 18.755 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.867 18.375 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.585 16.392 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -10.053 16.796 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.883 17.460 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.101 16.093 -5.553 1.00 0.00 H new ATOM 1747 N ASP B 13 -8.608 17.637 -0.872 1.00 0.00 N ATOM 1748 CA ASP B 13 -8.945 17.264 0.525 1.00 0.00 C ATOM 1749 C ASP B 13 -8.275 18.293 1.430 1.00 0.00 C ATOM 1750 O ASP B 13 -8.696 18.542 2.543 1.00 0.00 O ATOM 1751 CB ASP B 13 -8.356 15.868 0.736 1.00 0.00 C ATOM 1752 CG ASP B 13 -9.289 14.820 0.121 1.00 0.00 C ATOM 1753 OD1 ASP B 13 -10.465 15.112 -0.027 1.00 0.00 O ATOM 1754 OD2 ASP B 13 -8.812 13.741 -0.189 1.00 0.00 O ATOM 0 H ASP B 13 -7.992 16.991 -1.365 1.00 0.00 H new ATOM 0 HA ASP B 13 -10.014 17.251 0.738 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -7.369 15.805 0.277 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -8.226 15.674 1.801 1.00 0.00 H new ATOM 1759 N THR B 14 -7.244 18.922 0.919 1.00 0.00 N ATOM 1760 CA THR B 14 -6.539 19.976 1.683 1.00 0.00 C ATOM 1761 C THR B 14 -7.152 21.320 1.333 1.00 0.00 C ATOM 1762 O THR B 14 -7.905 21.895 2.093 1.00 0.00 O ATOM 1763 CB THR B 14 -5.089 19.956 1.192 1.00 0.00 C ATOM 1764 OG1 THR B 14 -5.072 19.938 -0.218 1.00 0.00 O ATOM 1765 CG2 THR B 14 -4.363 18.738 1.740 1.00 0.00 C ATOM 0 H THR B 14 -6.862 18.741 -0.009 1.00 0.00 H new ATOM 0 HA THR B 14 -6.607 19.814 2.759 1.00 0.00 H new ATOM 0 HB THR B 14 -4.578 20.851 1.548 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.380 19.064 -0.538 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.333 18.737 1.383 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.369 18.771 2.829 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.866 17.832 1.401 1.00 0.00 H new ATOM 1773 N GLY B 15 -6.815 21.830 0.174 1.00 0.00 N ATOM 1774 CA GLY B 15 -7.363 23.153 -0.239 1.00 0.00 C ATOM 1775 C GLY B 15 -6.914 24.218 0.767 1.00 0.00 C ATOM 1776 O GLY B 15 -7.403 25.332 0.769 1.00 0.00 O ATOM 0 H GLY B 15 -6.188 21.388 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -7.013 23.409 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -8.451 23.112 -0.283 1.00 0.00 H new ATOM 1780 N LEU B 16 -5.977 23.882 1.615 1.00 0.00 N ATOM 1781 CA LEU B 16 -5.476 24.873 2.618 1.00 0.00 C ATOM 1782 C LEU B 16 -4.489 25.804 1.942 1.00 0.00 C ATOM 1783 O LEU B 16 -4.682 27.002 1.863 1.00 0.00 O ATOM 1784 CB LEU B 16 -4.739 24.065 3.693 1.00 0.00 C ATOM 1785 CG LEU B 16 -5.691 23.077 4.356 1.00 0.00 C ATOM 1786 CD1 LEU B 16 -5.439 21.680 3.809 1.00 0.00 C ATOM 1787 CD2 LEU B 16 -5.444 23.052 5.868 1.00 0.00 C ATOM 0 H LEU B 16 -5.536 22.963 1.658 1.00 0.00 H new ATOM 0 HA LEU B 16 -6.290 25.461 3.042 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -3.902 23.529 3.245 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -4.323 24.738 4.442 1.00 0.00 H new ATOM 0 HG LEU B 16 -6.716 23.385 4.149 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.121 20.975 4.284 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -5.605 21.676 2.732 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -4.410 21.387 4.018 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.127 22.344 6.337 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -4.416 22.748 6.064 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.613 24.047 6.281 1.00 0.00 H new ATOM 1799 N THR B 17 -3.426 25.243 1.458 1.00 0.00 N ATOM 1800 CA THR B 17 -2.392 26.052 0.781 1.00 0.00 C ATOM 1801 C THR B 17 -1.839 25.288 -0.422 1.00 0.00 C ATOM 1802 O THR B 17 -0.866 25.696 -1.027 1.00 0.00 O ATOM 1803 CB THR B 17 -1.305 26.247 1.850 1.00 0.00 C ATOM 1804 OG1 THR B 17 -0.753 27.551 1.732 1.00 0.00 O ATOM 1805 CG2 THR B 17 -0.195 25.203 1.681 1.00 0.00 C ATOM 0 H THR B 17 -3.228 24.243 1.504 1.00 0.00 H new ATOM 0 HA THR B 17 -2.772 27.001 0.403 1.00 0.00 H new ATOM 0 HB THR B 17 -1.754 26.125 2.836 1.00 0.00 H new ATOM 0 HG1 THR B 17 -0.061 27.676 2.414 1.00 0.00 H new ATOM 0 HG21 THR B 17 0.567 25.355 2.446 1.00 0.00 H new ATOM 0 HG22 THR B 17 -0.617 24.203 1.783 1.00 0.00 H new ATOM 0 HG23 THR B 17 0.256 25.308 0.694 1.00 0.00 H new ATOM 1813 N GLN B 18 -2.410 24.151 -0.739 1.00 0.00 N ATOM 1814 CA GLN B 18 -1.854 23.338 -1.855 1.00 0.00 C ATOM 1815 C GLN B 18 -0.382 23.111 -1.542 1.00 0.00 C ATOM 1816 O GLN B 18 0.448 22.984 -2.419 1.00 0.00 O ATOM 1817 CB GLN B 18 -2.039 24.159 -3.137 1.00 0.00 C ATOM 1818 CG GLN B 18 -3.403 24.853 -3.113 1.00 0.00 C ATOM 1819 CD GLN B 18 -3.918 25.020 -4.544 1.00 0.00 C ATOM 1820 OE1 GLN B 18 -3.147 25.231 -5.459 1.00 0.00 O ATOM 1821 NE2 GLN B 18 -5.199 24.932 -4.777 1.00 0.00 N ATOM 0 H GLN B 18 -3.229 23.757 -0.276 1.00 0.00 H new ATOM 0 HA GLN B 18 -2.344 22.372 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -1.245 24.900 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -1.966 23.510 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.111 24.267 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.319 25.826 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -5.846 24.755 -4.009 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -5.553 25.040 -5.727 1.00 0.00 H new ATOM 1830 N VAL B 19 -0.087 23.078 -0.260 1.00 0.00 N ATOM 1831 CA VAL B 19 1.304 22.876 0.248 1.00 0.00 C ATOM 1832 C VAL B 19 2.234 22.426 -0.882 1.00 0.00 C ATOM 1833 O VAL B 19 2.742 23.225 -1.644 1.00 0.00 O ATOM 1834 CB VAL B 19 1.140 21.807 1.371 1.00 0.00 C ATOM 1835 CG1 VAL B 19 0.174 20.700 0.927 1.00 0.00 C ATOM 1836 CG2 VAL B 19 2.483 21.160 1.742 1.00 0.00 C ATOM 0 H VAL B 19 -0.783 23.187 0.478 1.00 0.00 H new ATOM 0 HA VAL B 19 1.765 23.785 0.633 1.00 0.00 H new ATOM 0 HB VAL B 19 0.742 22.326 2.243 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.073 19.964 1.724 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -0.802 21.134 0.709 1.00 0.00 H new ATOM 0 HG13 VAL B 19 0.564 20.214 0.032 1.00 0.00 H new ATOM 0 HG21 VAL B 19 2.326 20.421 2.528 1.00 0.00 H new ATOM 0 HG22 VAL B 19 2.907 20.672 0.864 1.00 0.00 H new ATOM 0 HG23 VAL B 19 3.171 21.927 2.098 1.00 0.00 H new ATOM 1846 N SER B 20 2.433 21.164 -0.998 1.00 0.00 N ATOM 1847 CA SER B 20 3.272 20.608 -2.050 1.00 0.00 C ATOM 1848 C SER B 20 2.501 19.463 -2.652 1.00 0.00 C ATOM 1849 O SER B 20 3.088 18.539 -3.151 1.00 0.00 O ATOM 1850 CB SER B 20 4.514 20.112 -1.338 1.00 0.00 C ATOM 1851 OG SER B 20 5.578 21.027 -1.543 1.00 0.00 O ATOM 0 H SER B 20 2.027 20.467 -0.374 1.00 0.00 H new ATOM 0 HA SER B 20 3.539 21.311 -2.839 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.315 20.003 -0.272 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.791 19.127 -1.713 1.00 0.00 H new ATOM 0 HG SER B 20 6.409 20.646 -1.191 1.00 0.00 H new ATOM 1857 N VAL B 21 1.187 19.473 -2.546 1.00 0.00 N ATOM 1858 CA VAL B 21 0.363 18.343 -3.072 1.00 0.00 C ATOM 1859 C VAL B 21 1.175 17.553 -4.080 1.00 0.00 C ATOM 1860 O VAL B 21 1.178 16.334 -4.105 1.00 0.00 O ATOM 1861 CB VAL B 21 -0.847 19.004 -3.739 1.00 0.00 C ATOM 1862 CG1 VAL B 21 -1.737 19.644 -2.672 1.00 0.00 C ATOM 1863 CG2 VAL B 21 -0.384 20.080 -4.727 1.00 0.00 C ATOM 0 H VAL B 21 0.652 20.225 -2.113 1.00 0.00 H new ATOM 0 HA VAL B 21 0.053 17.648 -2.292 1.00 0.00 H new ATOM 0 HB VAL B 21 -1.411 18.243 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -2.597 20.114 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -2.081 18.878 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -1.168 20.398 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -1.253 20.543 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL B 21 0.189 20.840 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.242 19.624 -5.495 1.00 0.00 H new ATOM 1873 N SER B 22 1.911 18.267 -4.866 1.00 0.00 N ATOM 1874 CA SER B 22 2.789 17.613 -5.877 1.00 0.00 C ATOM 1875 C SER B 22 4.095 17.169 -5.221 1.00 0.00 C ATOM 1876 O SER B 22 4.635 16.127 -5.530 1.00 0.00 O ATOM 1877 CB SER B 22 3.048 18.684 -6.937 1.00 0.00 C ATOM 1878 OG SER B 22 2.367 18.333 -8.134 1.00 0.00 O ATOM 0 H SER B 22 1.948 19.286 -4.858 1.00 0.00 H new ATOM 0 HA SER B 22 2.333 16.724 -6.312 1.00 0.00 H new ATOM 0 HB2 SER B 22 2.705 19.655 -6.581 1.00 0.00 H new ATOM 0 HB3 SER B 22 4.118 18.774 -7.126 1.00 0.00 H new ATOM 0 HG SER B 22 2.529 19.018 -8.816 1.00 0.00 H new ATOM 1884 N LYS B 23 4.602 17.955 -4.312 1.00 0.00 N ATOM 1885 CA LYS B 23 5.866 17.592 -3.626 1.00 0.00 C ATOM 1886 C LYS B 23 5.599 16.762 -2.365 1.00 0.00 C ATOM 1887 O LYS B 23 6.418 15.949 -1.992 1.00 0.00 O ATOM 1888 CB LYS B 23 6.522 18.922 -3.271 1.00 0.00 C ATOM 1889 CG LYS B 23 7.623 19.240 -4.285 1.00 0.00 C ATOM 1890 CD LYS B 23 8.185 20.641 -4.018 1.00 0.00 C ATOM 1891 CE LYS B 23 7.037 21.654 -3.944 1.00 0.00 C ATOM 1892 NZ LYS B 23 7.508 22.829 -4.730 1.00 0.00 N ATOM 0 H LYS B 23 4.189 18.839 -4.015 1.00 0.00 H new ATOM 0 HA LYS B 23 6.504 16.976 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS B 23 5.776 19.717 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS B 23 6.942 18.875 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS B 23 8.419 18.499 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS B 23 7.224 19.185 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS B 23 8.747 20.646 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS B 23 8.880 20.921 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS B 23 6.119 21.241 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS B 23 6.821 21.931 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 6.775 23.566 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 8.379 23.205 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 7.699 22.537 -5.710 1.00 0.00 H new ATOM 1906 N MET B 24 4.469 16.921 -1.704 1.00 0.00 N ATOM 1907 CA MET B 24 4.240 16.076 -0.491 1.00 0.00 C ATOM 1908 C MET B 24 3.828 14.681 -0.943 1.00 0.00 C ATOM 1909 O MET B 24 4.236 13.701 -0.355 1.00 0.00 O ATOM 1910 CB MET B 24 3.154 16.716 0.402 1.00 0.00 C ATOM 1911 CG MET B 24 2.278 17.704 -0.362 1.00 0.00 C ATOM 1912 SD MET B 24 0.573 17.494 0.173 1.00 0.00 S ATOM 1913 CE MET B 24 0.332 15.963 -0.746 1.00 0.00 C ATOM 0 H MET B 24 3.724 17.575 -1.944 1.00 0.00 H new ATOM 0 HA MET B 24 5.154 16.005 0.099 1.00 0.00 H new ATOM 0 HB2 MET B 24 2.527 15.931 0.825 1.00 0.00 H new ATOM 0 HB3 MET B 24 3.631 17.229 1.238 1.00 0.00 H new ATOM 0 HG2 MET B 24 2.610 18.726 -0.176 1.00 0.00 H new ATOM 0 HG3 MET B 24 2.362 17.532 -1.435 1.00 0.00 H new ATOM 0 HE1 MET B 24 -0.478 16.093 -1.463 1.00 0.00 H new ATOM 0 HE2 MET B 24 1.249 15.709 -1.277 1.00 0.00 H new ATOM 0 HE3 MET B 24 0.079 15.160 -0.054 1.00 0.00 H new ATOM 1923 N LEU B 25 3.067 14.559 -2.007 1.00 0.00 N ATOM 1924 CA LEU B 25 2.723 13.190 -2.473 1.00 0.00 C ATOM 1925 C LEU B 25 3.961 12.621 -3.152 1.00 0.00 C ATOM 1926 O LEU B 25 4.344 11.491 -2.924 1.00 0.00 O ATOM 1927 CB LEU B 25 1.571 13.340 -3.460 1.00 0.00 C ATOM 1928 CG LEU B 25 0.239 13.572 -2.722 1.00 0.00 C ATOM 1929 CD1 LEU B 25 -0.880 12.848 -3.466 1.00 0.00 C ATOM 1930 CD2 LEU B 25 0.295 13.029 -1.287 1.00 0.00 C ATOM 0 H LEU B 25 2.682 15.328 -2.555 1.00 0.00 H new ATOM 0 HA LEU B 25 2.424 12.522 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.769 14.175 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.498 12.445 -4.078 1.00 0.00 H new ATOM 0 HG LEU B 25 0.055 14.646 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.825 13.009 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.952 13.237 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.663 11.780 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.660 13.208 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.496 11.958 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.089 13.535 -0.737 1.00 0.00 H new ATOM 1942 N ALA B 26 4.627 13.423 -3.946 1.00 0.00 N ATOM 1943 CA ALA B 26 5.880 12.943 -4.587 1.00 0.00 C ATOM 1944 C ALA B 26 6.853 12.581 -3.467 1.00 0.00 C ATOM 1945 O ALA B 26 7.634 11.656 -3.574 1.00 0.00 O ATOM 1946 CB ALA B 26 6.406 14.122 -5.406 1.00 0.00 C ATOM 0 H ALA B 26 4.357 14.380 -4.174 1.00 0.00 H new ATOM 0 HA ALA B 26 5.739 12.072 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA B 26 7.331 13.834 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA B 26 5.664 14.407 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA B 26 6.599 14.967 -4.745 1.00 0.00 H new ATOM 1952 N SER B 27 6.770 13.294 -2.371 1.00 0.00 N ATOM 1953 CA SER B 27 7.642 12.988 -1.210 1.00 0.00 C ATOM 1954 C SER B 27 7.042 11.805 -0.459 1.00 0.00 C ATOM 1955 O SER B 27 7.746 10.964 0.046 1.00 0.00 O ATOM 1956 CB SER B 27 7.632 14.240 -0.335 1.00 0.00 C ATOM 1957 OG SER B 27 8.492 15.219 -0.903 1.00 0.00 O ATOM 0 H SER B 27 6.131 14.077 -2.236 1.00 0.00 H new ATOM 0 HA SER B 27 8.660 12.731 -1.502 1.00 0.00 H new ATOM 0 HB2 SER B 27 6.618 14.633 -0.255 1.00 0.00 H new ATOM 0 HB3 SER B 27 7.960 13.994 0.675 1.00 0.00 H new ATOM 0 HG SER B 27 8.002 15.732 -1.580 1.00 0.00 H new ATOM 1963 N PHE B 28 5.733 11.731 -0.406 1.00 0.00 N ATOM 1964 CA PHE B 28 5.066 10.587 0.290 1.00 0.00 C ATOM 1965 C PHE B 28 5.502 9.297 -0.376 1.00 0.00 C ATOM 1966 O PHE B 28 5.776 8.314 0.266 1.00 0.00 O ATOM 1967 CB PHE B 28 3.563 10.814 0.101 1.00 0.00 C ATOM 1968 CG PHE B 28 2.851 9.517 -0.264 1.00 0.00 C ATOM 1969 CD1 PHE B 28 2.687 9.156 -1.611 1.00 0.00 C ATOM 1970 CD2 PHE B 28 2.318 8.696 0.740 1.00 0.00 C ATOM 1971 CE1 PHE B 28 2.002 7.986 -1.944 1.00 0.00 C ATOM 1972 CE2 PHE B 28 1.626 7.533 0.399 1.00 0.00 C ATOM 1973 CZ PHE B 28 1.467 7.177 -0.940 1.00 0.00 C ATOM 0 H PHE B 28 5.098 12.416 -0.816 1.00 0.00 H new ATOM 0 HA PHE B 28 5.321 10.523 1.348 1.00 0.00 H new ATOM 0 HB2 PHE B 28 3.136 11.221 1.018 1.00 0.00 H new ATOM 0 HB3 PHE B 28 3.400 11.554 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE B 28 3.091 9.784 -2.391 1.00 0.00 H new ATOM 0 HD2 PHE B 28 2.443 8.964 1.779 1.00 0.00 H new ATOM 0 HE1 PHE B 28 1.886 7.706 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE B 28 1.212 6.906 1.175 1.00 0.00 H new ATOM 0 HZ PHE B 28 0.931 6.276 -1.200 1.00 0.00 H new ATOM 1983 N GLU B 29 5.596 9.310 -1.659 1.00 0.00 N ATOM 1984 CA GLU B 29 6.042 8.107 -2.371 1.00 0.00 C ATOM 1985 C GLU B 29 7.531 7.992 -2.192 1.00 0.00 C ATOM 1986 O GLU B 29 8.083 6.920 -2.055 1.00 0.00 O ATOM 1987 CB GLU B 29 5.652 8.364 -3.814 1.00 0.00 C ATOM 1988 CG GLU B 29 4.329 7.667 -4.045 1.00 0.00 C ATOM 1989 CD GLU B 29 3.460 8.486 -5.001 1.00 0.00 C ATOM 1990 OE1 GLU B 29 2.926 9.493 -4.568 1.00 0.00 O ATOM 1991 OE2 GLU B 29 3.341 8.089 -6.148 1.00 0.00 O ATOM 0 H GLU B 29 5.380 10.112 -2.252 1.00 0.00 H new ATOM 0 HA GLU B 29 5.604 7.174 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.563 9.433 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.414 7.981 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU B 29 4.501 6.673 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU B 29 3.810 7.532 -3.096 1.00 0.00 H new ATOM 1998 N LYS B 30 8.173 9.109 -2.137 1.00 0.00 N ATOM 1999 CA LYS B 30 9.627 9.102 -1.904 1.00 0.00 C ATOM 2000 C LYS B 30 9.875 8.664 -0.465 1.00 0.00 C ATOM 2001 O LYS B 30 10.863 8.057 -0.177 1.00 0.00 O ATOM 2002 CB LYS B 30 10.094 10.540 -2.115 1.00 0.00 C ATOM 2003 CG LYS B 30 11.600 10.619 -1.851 1.00 0.00 C ATOM 2004 CD LYS B 30 12.113 12.014 -2.214 1.00 0.00 C ATOM 2005 CE LYS B 30 13.171 12.451 -1.198 1.00 0.00 C ATOM 2006 NZ LYS B 30 14.308 11.508 -1.397 1.00 0.00 N ATOM 0 H LYS B 30 7.752 10.032 -2.244 1.00 0.00 H new ATOM 0 HA LYS B 30 10.161 8.424 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS B 30 9.873 10.862 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.558 11.212 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS B 30 11.807 10.406 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS B 30 12.122 9.864 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS B 30 12.539 12.006 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.287 12.725 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS B 30 13.479 13.483 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS B 30 12.787 12.397 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 15.170 11.909 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 14.089 10.599 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.459 11.356 -2.415 1.00 0.00 H new ATOM 2020 N ILE B 31 8.961 8.947 0.435 1.00 0.00 N ATOM 2021 CA ILE B 31 9.155 8.519 1.852 1.00 0.00 C ATOM 2022 C ILE B 31 8.492 7.170 2.062 1.00 0.00 C ATOM 2023 O ILE B 31 8.984 6.338 2.778 1.00 0.00 O ATOM 2024 CB ILE B 31 8.515 9.582 2.742 1.00 0.00 C ATOM 2025 CG1 ILE B 31 7.075 9.834 2.337 1.00 0.00 C ATOM 2026 CG2 ILE B 31 9.319 10.878 2.654 1.00 0.00 C ATOM 2027 CD1 ILE B 31 6.144 9.114 3.311 1.00 0.00 C ATOM 0 H ILE B 31 8.095 9.453 0.248 1.00 0.00 H new ATOM 0 HA ILE B 31 10.212 8.418 2.096 1.00 0.00 H new ATOM 0 HB ILE B 31 8.519 9.221 3.771 1.00 0.00 H new ATOM 0 HG12 ILE B 31 6.866 10.904 2.340 1.00 0.00 H new ATOM 0 HG13 ILE B 31 6.903 9.478 1.321 1.00 0.00 H new ATOM 0 HG21 ILE B 31 8.860 11.635 3.290 1.00 0.00 H new ATOM 0 HG22 ILE B 31 10.341 10.696 2.987 1.00 0.00 H new ATOM 0 HG23 ILE B 31 9.331 11.230 1.622 1.00 0.00 H new ATOM 0 HD11 ILE B 31 5.108 9.293 3.023 1.00 0.00 H new ATOM 0 HD12 ILE B 31 6.348 8.044 3.286 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.311 9.491 4.320 1.00 0.00 H new ATOM 2039 N ILE B 32 7.392 6.932 1.416 1.00 0.00 N ATOM 2040 CA ILE B 32 6.741 5.604 1.558 1.00 0.00 C ATOM 2041 C ILE B 32 7.726 4.568 1.069 1.00 0.00 C ATOM 2042 O ILE B 32 8.156 3.686 1.797 1.00 0.00 O ATOM 2043 CB ILE B 32 5.526 5.619 0.627 1.00 0.00 C ATOM 2044 CG1 ILE B 32 4.440 6.532 1.210 1.00 0.00 C ATOM 2045 CG2 ILE B 32 4.983 4.191 0.472 1.00 0.00 C ATOM 2046 CD1 ILE B 32 3.388 5.713 1.960 1.00 0.00 C ATOM 0 H ILE B 32 6.917 7.592 0.800 1.00 0.00 H new ATOM 0 HA ILE B 32 6.445 5.386 2.584 1.00 0.00 H new ATOM 0 HB ILE B 32 5.821 5.999 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE B 32 4.893 7.257 1.886 1.00 0.00 H new ATOM 0 HG13 ILE B 32 3.964 7.097 0.408 1.00 0.00 H new ATOM 0 HG21 ILE B 32 4.118 4.201 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE B 32 5.757 3.551 0.049 1.00 0.00 H new ATOM 0 HG23 ILE B 32 4.688 3.806 1.448 1.00 0.00 H new ATOM 0 HD11 ILE B 32 2.628 6.381 2.365 1.00 0.00 H new ATOM 0 HD12 ILE B 32 2.921 5.005 1.275 1.00 0.00 H new ATOM 0 HD13 ILE B 32 3.864 5.168 2.775 1.00 0.00 H new ATOM 2058 N THR B 33 8.099 4.696 -0.173 1.00 0.00 N ATOM 2059 CA THR B 33 9.069 3.752 -0.741 1.00 0.00 C ATOM 2060 C THR B 33 10.345 3.814 0.093 1.00 0.00 C ATOM 2061 O THR B 33 10.976 2.814 0.371 1.00 0.00 O ATOM 2062 CB THR B 33 9.300 4.202 -2.194 1.00 0.00 C ATOM 2063 OG1 THR B 33 9.166 3.085 -3.059 1.00 0.00 O ATOM 2064 CG2 THR B 33 10.702 4.794 -2.361 1.00 0.00 C ATOM 0 H THR B 33 7.767 5.419 -0.812 1.00 0.00 H new ATOM 0 HA THR B 33 8.724 2.718 -0.730 1.00 0.00 H new ATOM 0 HB THR B 33 8.562 4.964 -2.442 1.00 0.00 H new ATOM 0 HG1 THR B 33 9.410 3.347 -3.971 1.00 0.00 H new ATOM 0 HG21 THR B 33 10.844 5.106 -3.396 1.00 0.00 H new ATOM 0 HG22 THR B 33 10.814 5.656 -1.704 1.00 0.00 H new ATOM 0 HG23 THR B 33 11.448 4.042 -2.103 1.00 0.00 H new ATOM 2072 N GLU B 34 10.719 4.994 0.500 1.00 0.00 N ATOM 2073 CA GLU B 34 11.943 5.139 1.316 1.00 0.00 C ATOM 2074 C GLU B 34 11.755 4.526 2.705 1.00 0.00 C ATOM 2075 O GLU B 34 12.528 3.703 3.108 1.00 0.00 O ATOM 2076 CB GLU B 34 12.173 6.644 1.415 1.00 0.00 C ATOM 2077 CG GLU B 34 12.966 7.114 0.186 1.00 0.00 C ATOM 2078 CD GLU B 34 14.416 6.642 0.299 1.00 0.00 C ATOM 2079 OE1 GLU B 34 14.687 5.523 -0.104 1.00 0.00 O ATOM 2080 OE2 GLU B 34 15.232 7.407 0.786 1.00 0.00 O ATOM 0 H GLU B 34 10.225 5.863 0.299 1.00 0.00 H new ATOM 0 HA GLU B 34 12.792 4.622 0.869 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.218 7.167 1.469 1.00 0.00 H new ATOM 0 HB3 GLU B 34 12.719 6.882 2.328 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.514 6.719 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU B 34 12.932 8.201 0.112 1.00 0.00 H new ATOM 2087 N THR B 35 10.745 4.921 3.445 1.00 0.00 N ATOM 2088 CA THR B 35 10.562 4.357 4.827 1.00 0.00 C ATOM 2089 C THR B 35 10.697 2.847 4.850 1.00 0.00 C ATOM 2090 O THR B 35 11.605 2.329 5.469 1.00 0.00 O ATOM 2091 CB THR B 35 9.174 4.777 5.299 1.00 0.00 C ATOM 2092 OG1 THR B 35 9.049 6.190 5.213 1.00 0.00 O ATOM 2093 CG2 THR B 35 9.006 4.332 6.751 1.00 0.00 C ATOM 0 H THR B 35 10.044 5.603 3.157 1.00 0.00 H new ATOM 0 HA THR B 35 11.339 4.741 5.488 1.00 0.00 H new ATOM 0 HB THR B 35 8.408 4.317 4.675 1.00 0.00 H new ATOM 0 HG1 THR B 35 8.708 6.435 4.327 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.018 4.623 7.109 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.110 3.249 6.814 1.00 0.00 H new ATOM 0 HG23 THR B 35 9.770 4.806 7.368 1.00 0.00 H new ATOM 2101 N VAL B 36 9.835 2.121 4.195 1.00 0.00 N ATOM 2102 CA VAL B 36 10.004 0.638 4.219 1.00 0.00 C ATOM 2103 C VAL B 36 11.443 0.330 3.871 1.00 0.00 C ATOM 2104 O VAL B 36 12.101 -0.497 4.465 1.00 0.00 O ATOM 2105 CB VAL B 36 9.094 0.096 3.118 1.00 0.00 C ATOM 2106 CG1 VAL B 36 9.831 -0.991 2.330 1.00 0.00 C ATOM 2107 CG2 VAL B 36 7.844 -0.501 3.747 1.00 0.00 C ATOM 0 H VAL B 36 9.043 2.474 3.658 1.00 0.00 H new ATOM 0 HA VAL B 36 9.761 0.202 5.188 1.00 0.00 H new ATOM 0 HB VAL B 36 8.817 0.908 2.445 1.00 0.00 H new ATOM 0 HG11 VAL B 36 9.180 -1.376 1.545 1.00 0.00 H new ATOM 0 HG12 VAL B 36 10.730 -0.569 1.881 1.00 0.00 H new ATOM 0 HG13 VAL B 36 10.108 -1.803 3.002 1.00 0.00 H new ATOM 0 HG21 VAL B 36 7.192 -0.889 2.964 1.00 0.00 H new ATOM 0 HG22 VAL B 36 8.126 -1.312 4.419 1.00 0.00 H new ATOM 0 HG23 VAL B 36 7.316 0.269 4.310 1.00 0.00 H new ATOM 2117 N ALA B 37 11.917 1.005 2.885 1.00 0.00 N ATOM 2118 CA ALA B 37 13.293 0.786 2.435 1.00 0.00 C ATOM 2119 C ALA B 37 14.251 1.774 3.112 1.00 0.00 C ATOM 2120 O ALA B 37 15.386 1.926 2.703 1.00 0.00 O ATOM 2121 CB ALA B 37 13.198 1.010 0.945 1.00 0.00 C ATOM 0 H ALA B 37 11.399 1.712 2.363 1.00 0.00 H new ATOM 0 HA ALA B 37 13.688 -0.199 2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 37 14.180 0.872 0.493 1.00 0.00 H new ATOM 0 HB2 ALA B 37 12.496 0.296 0.514 1.00 0.00 H new ATOM 0 HB3 ALA B 37 12.849 2.024 0.751 1.00 0.00 H new ATOM 2127 N LYS B 38 13.809 2.420 4.167 1.00 0.00 N ATOM 2128 CA LYS B 38 14.702 3.365 4.910 1.00 0.00 C ATOM 2129 C LYS B 38 14.795 2.902 6.354 1.00 0.00 C ATOM 2130 O LYS B 38 15.789 3.115 7.019 1.00 0.00 O ATOM 2131 CB LYS B 38 14.068 4.757 4.843 1.00 0.00 C ATOM 2132 CG LYS B 38 14.551 5.488 3.587 1.00 0.00 C ATOM 2133 CD LYS B 38 16.070 5.683 3.650 1.00 0.00 C ATOM 2134 CE LYS B 38 16.715 5.092 2.393 1.00 0.00 C ATOM 2135 NZ LYS B 38 18.160 4.956 2.730 1.00 0.00 N ATOM 0 H LYS B 38 12.866 2.332 4.545 1.00 0.00 H new ATOM 0 HA LYS B 38 15.702 3.393 4.477 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.981 4.671 4.830 1.00 0.00 H new ATOM 0 HB3 LYS B 38 14.332 5.330 5.732 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.285 4.916 2.698 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.054 6.455 3.504 1.00 0.00 H new ATOM 0 HD2 LYS B 38 16.308 6.744 3.729 1.00 0.00 H new ATOM 0 HD3 LYS B 38 16.473 5.199 4.540 1.00 0.00 H new ATOM 0 HE2 LYS B 38 16.276 4.127 2.140 1.00 0.00 H new ATOM 0 HE3 LYS B 38 16.570 5.743 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 18.722 4.956 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 18.453 5.753 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 18.315 4.063 3.241 1.00 0.00 H new ATOM 2149 N GLY B 39 13.776 2.242 6.842 1.00 0.00 N ATOM 2150 CA GLY B 39 13.843 1.745 8.231 1.00 0.00 C ATOM 2151 C GLY B 39 12.482 1.815 8.934 1.00 0.00 C ATOM 2152 O GLY B 39 12.411 2.164 10.096 1.00 0.00 O ATOM 0 H GLY B 39 12.914 2.032 6.339 1.00 0.00 H new ATOM 0 HA2 GLY B 39 14.198 0.714 8.230 1.00 0.00 H new ATOM 0 HA3 GLY B 39 14.571 2.332 8.791 1.00 0.00 H new ATOM 2156 N ASP B 40 11.400 1.478 8.270 1.00 0.00 N ATOM 2157 CA ASP B 40 10.075 1.528 8.968 1.00 0.00 C ATOM 2158 C ASP B 40 8.960 0.938 8.096 1.00 0.00 C ATOM 2159 O ASP B 40 8.969 1.057 6.889 1.00 0.00 O ATOM 2160 CB ASP B 40 9.816 3.012 9.237 1.00 0.00 C ATOM 2161 CG ASP B 40 10.027 3.310 10.724 1.00 0.00 C ATOM 2162 OD1 ASP B 40 9.277 2.780 11.527 1.00 0.00 O ATOM 2163 OD2 ASP B 40 10.936 4.063 11.033 1.00 0.00 O ATOM 0 H ASP B 40 11.376 1.177 7.296 1.00 0.00 H new ATOM 0 HA ASP B 40 10.088 0.939 9.885 1.00 0.00 H new ATOM 0 HB2 ASP B 40 10.488 3.624 8.635 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.799 3.273 8.944 1.00 0.00 H new ATOM 2168 N LYS B 41 7.986 0.324 8.718 1.00 0.00 N ATOM 2169 CA LYS B 41 6.847 -0.263 7.968 1.00 0.00 C ATOM 2170 C LYS B 41 5.650 0.668 8.110 1.00 0.00 C ATOM 2171 O LYS B 41 5.136 0.878 9.192 1.00 0.00 O ATOM 2172 CB LYS B 41 6.571 -1.608 8.642 1.00 0.00 C ATOM 2173 CG LYS B 41 7.807 -2.505 8.525 1.00 0.00 C ATOM 2174 CD LYS B 41 8.077 -3.186 9.868 1.00 0.00 C ATOM 2175 CE LYS B 41 9.469 -3.823 9.851 1.00 0.00 C ATOM 2176 NZ LYS B 41 10.178 -3.232 11.021 1.00 0.00 N ATOM 0 H LYS B 41 7.936 0.206 9.730 1.00 0.00 H new ATOM 0 HA LYS B 41 7.051 -0.393 6.905 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.318 -1.455 9.691 1.00 0.00 H new ATOM 0 HB3 LYS B 41 5.713 -2.091 8.174 1.00 0.00 H new ATOM 0 HG2 LYS B 41 7.652 -3.256 7.750 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.672 -1.912 8.226 1.00 0.00 H new ATOM 0 HD2 LYS B 41 8.009 -2.458 10.676 1.00 0.00 H new ATOM 0 HD3 LYS B 41 7.320 -3.947 10.060 1.00 0.00 H new ATOM 0 HE2 LYS B 41 9.407 -4.908 9.934 1.00 0.00 H new ATOM 0 HE3 LYS B 41 9.992 -3.603 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 11.141 -3.621 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 10.227 -2.199 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 9.661 -3.463 11.893 1.00 0.00 H new ATOM 2190 N VAL B 42 5.224 1.246 7.034 1.00 0.00 N ATOM 2191 CA VAL B 42 4.070 2.199 7.106 1.00 0.00 C ATOM 2192 C VAL B 42 2.737 1.462 6.962 1.00 0.00 C ATOM 2193 O VAL B 42 2.661 0.394 6.387 1.00 0.00 O ATOM 2194 CB VAL B 42 4.263 3.184 5.950 1.00 0.00 C ATOM 2195 CG1 VAL B 42 3.327 4.378 6.142 1.00 0.00 C ATOM 2196 CG2 VAL B 42 5.712 3.681 5.923 1.00 0.00 C ATOM 0 H VAL B 42 5.617 1.108 6.103 1.00 0.00 H new ATOM 0 HA VAL B 42 4.043 2.708 8.069 1.00 0.00 H new ATOM 0 HB VAL B 42 4.037 2.681 5.010 1.00 0.00 H new ATOM 0 HG11 VAL B 42 3.462 5.082 5.321 1.00 0.00 H new ATOM 0 HG12 VAL B 42 2.294 4.031 6.157 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.558 4.873 7.085 1.00 0.00 H new ATOM 0 HG21 VAL B 42 5.841 4.381 5.098 1.00 0.00 H new ATOM 0 HG22 VAL B 42 5.942 4.182 6.863 1.00 0.00 H new ATOM 0 HG23 VAL B 42 6.385 2.834 5.789 1.00 0.00 H new ATOM 2206 N GLN B 43 1.683 2.033 7.489 1.00 0.00 N ATOM 2207 CA GLN B 43 0.343 1.381 7.395 1.00 0.00 C ATOM 2208 C GLN B 43 -0.738 2.442 7.171 1.00 0.00 C ATOM 2209 O GLN B 43 -0.907 3.341 7.970 1.00 0.00 O ATOM 2210 CB GLN B 43 0.120 0.684 8.744 1.00 0.00 C ATOM 2211 CG GLN B 43 1.448 0.164 9.302 1.00 0.00 C ATOM 2212 CD GLN B 43 1.177 -0.783 10.473 1.00 0.00 C ATOM 2213 OE1 GLN B 43 0.155 -1.439 10.514 1.00 0.00 O ATOM 2214 NE2 GLN B 43 2.056 -0.882 11.432 1.00 0.00 N ATOM 0 H GLN B 43 1.694 2.926 7.982 1.00 0.00 H new ATOM 0 HA GLN B 43 0.295 0.676 6.565 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -0.331 1.381 9.451 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -0.579 -0.143 8.622 1.00 0.00 H new ATOM 0 HG2 GLN B 43 2.003 -0.356 8.521 1.00 0.00 H new ATOM 0 HG3 GLN B 43 2.067 0.998 9.632 1.00 0.00 H new ATOM 0 HE21 GLN B 43 2.914 -0.331 11.397 1.00 0.00 H new ATOM 0 HE22 GLN B 43 1.886 -1.511 12.217 1.00 0.00 H new ATOM 2223 N LEU B 44 -1.472 2.346 6.096 1.00 0.00 N ATOM 2224 CA LEU B 44 -2.542 3.356 5.837 1.00 0.00 C ATOM 2225 C LEU B 44 -3.839 2.929 6.524 1.00 0.00 C ATOM 2226 O LEU B 44 -4.537 2.061 6.048 1.00 0.00 O ATOM 2227 CB LEU B 44 -2.727 3.376 4.316 1.00 0.00 C ATOM 2228 CG LEU B 44 -1.373 3.558 3.619 1.00 0.00 C ATOM 2229 CD1 LEU B 44 -1.598 3.832 2.130 1.00 0.00 C ATOM 2230 CD2 LEU B 44 -0.633 4.745 4.238 1.00 0.00 C ATOM 0 H LEU B 44 -1.379 1.617 5.389 1.00 0.00 H new ATOM 0 HA LEU B 44 -2.278 4.340 6.223 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -3.191 2.446 3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.400 4.186 4.035 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.781 2.651 3.742 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.636 3.961 1.634 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.127 2.991 1.681 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.191 4.739 2.013 1.00 0.00 H new ATOM 0 HD21 LEU B 44 0.329 4.873 3.742 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.228 5.650 4.114 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.471 4.559 5.300 1.00 0.00 H new ATOM 2242 N THR B 45 -4.157 3.537 7.645 1.00 0.00 N ATOM 2243 CA THR B 45 -5.410 3.187 8.407 1.00 0.00 C ATOM 2244 C THR B 45 -5.700 1.679 8.364 1.00 0.00 C ATOM 2245 O THR B 45 -6.831 1.252 8.479 1.00 0.00 O ATOM 2246 CB THR B 45 -6.561 3.992 7.770 1.00 0.00 C ATOM 2247 OG1 THR B 45 -7.802 3.374 8.082 1.00 0.00 O ATOM 2248 CG2 THR B 45 -6.401 4.063 6.253 1.00 0.00 C ATOM 0 H THR B 45 -3.595 4.273 8.073 1.00 0.00 H new ATOM 0 HA THR B 45 -5.294 3.440 9.461 1.00 0.00 H new ATOM 0 HB THR B 45 -6.536 5.005 8.172 1.00 0.00 H new ATOM 0 HG1 THR B 45 -7.816 2.465 7.716 1.00 0.00 H new ATOM 0 HG21 THR B 45 -7.225 4.636 5.827 1.00 0.00 H new ATOM 0 HG22 THR B 45 -5.456 4.549 6.009 1.00 0.00 H new ATOM 0 HG23 THR B 45 -6.408 3.055 5.839 1.00 0.00 H new ATOM 2256 N GLY B 46 -4.684 0.870 8.233 1.00 0.00 N ATOM 2257 CA GLY B 46 -4.904 -0.600 8.221 1.00 0.00 C ATOM 2258 C GLY B 46 -5.128 -1.134 6.799 1.00 0.00 C ATOM 2259 O GLY B 46 -5.121 -2.333 6.596 1.00 0.00 O ATOM 0 H GLY B 46 -3.713 1.165 8.134 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -4.043 -1.100 8.665 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -5.768 -0.843 8.840 1.00 0.00 H new ATOM 2263 N PHE B 47 -5.335 -0.296 5.806 1.00 0.00 N ATOM 2264 CA PHE B 47 -5.557 -0.871 4.445 1.00 0.00 C ATOM 2265 C PHE B 47 -4.243 -1.090 3.702 1.00 0.00 C ATOM 2266 O PHE B 47 -4.102 -2.056 2.985 1.00 0.00 O ATOM 2267 CB PHE B 47 -6.556 0.036 3.690 1.00 0.00 C ATOM 2268 CG PHE B 47 -5.963 1.341 3.192 1.00 0.00 C ATOM 2269 CD1 PHE B 47 -4.884 1.364 2.294 1.00 0.00 C ATOM 2270 CD2 PHE B 47 -6.542 2.545 3.600 1.00 0.00 C ATOM 2271 CE1 PHE B 47 -4.390 2.586 1.827 1.00 0.00 C ATOM 2272 CE2 PHE B 47 -6.050 3.756 3.128 1.00 0.00 C ATOM 2273 CZ PHE B 47 -4.973 3.780 2.244 1.00 0.00 C ATOM 0 H PHE B 47 -5.359 0.721 5.876 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.995 -1.866 4.523 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -6.957 -0.515 2.839 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -7.395 0.260 4.349 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -4.436 0.438 1.964 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.376 2.535 4.286 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.555 2.604 1.142 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -6.504 4.682 3.448 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.591 4.723 1.883 1.00 0.00 H new ATOM 2283 N LEU B 48 -3.270 -0.244 3.873 1.00 0.00 N ATOM 2284 CA LEU B 48 -1.978 -0.486 3.167 1.00 0.00 C ATOM 2285 C LEU B 48 -0.839 -0.635 4.172 1.00 0.00 C ATOM 2286 O LEU B 48 -0.143 0.310 4.492 1.00 0.00 O ATOM 2287 CB LEU B 48 -1.768 0.719 2.254 1.00 0.00 C ATOM 2288 CG LEU B 48 -2.230 0.426 0.805 1.00 0.00 C ATOM 2289 CD1 LEU B 48 -1.250 1.069 -0.171 1.00 0.00 C ATOM 2290 CD2 LEU B 48 -2.293 -1.079 0.523 1.00 0.00 C ATOM 0 H LEU B 48 -3.307 0.590 4.459 1.00 0.00 H new ATOM 0 HA LEU B 48 -1.997 -1.410 2.590 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.319 1.573 2.646 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.713 0.994 2.251 1.00 0.00 H new ATOM 0 HG LEU B 48 -3.231 0.839 0.681 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.569 0.867 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -1.225 2.146 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -0.254 0.654 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -2.621 -1.243 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -1.305 -1.517 0.663 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -2.998 -1.548 1.209 1.00 0.00 H new ATOM 2302 N ASN B 49 -0.652 -1.828 4.669 1.00 0.00 N ATOM 2303 CA ASN B 49 0.435 -2.080 5.659 1.00 0.00 C ATOM 2304 C ASN B 49 1.724 -2.495 4.944 1.00 0.00 C ATOM 2305 O ASN B 49 2.051 -3.664 4.869 1.00 0.00 O ATOM 2306 CB ASN B 49 -0.086 -3.231 6.521 1.00 0.00 C ATOM 2307 CG ASN B 49 0.508 -3.126 7.927 1.00 0.00 C ATOM 2308 OD1 ASN B 49 1.640 -2.717 8.092 1.00 0.00 O ATOM 2309 ND2 ASN B 49 -0.213 -3.481 8.955 1.00 0.00 N ATOM 0 H ASN B 49 -1.211 -2.647 4.429 1.00 0.00 H new ATOM 0 HA ASN B 49 0.671 -1.193 6.247 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -1.174 -3.198 6.571 1.00 0.00 H new ATOM 0 HB3 ASN B 49 0.183 -4.187 6.071 1.00 0.00 H new ATOM 0 HD21 ASN B 49 0.174 -3.415 9.896 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -1.163 -3.824 8.817 1.00 0.00 H new ATOM 2316 N ILE B 50 2.461 -1.551 4.423 1.00 0.00 N ATOM 2317 CA ILE B 50 3.731 -1.902 3.718 1.00 0.00 C ATOM 2318 C ILE B 50 4.802 -2.316 4.727 1.00 0.00 C ATOM 2319 O ILE B 50 4.844 -1.821 5.837 1.00 0.00 O ATOM 2320 CB ILE B 50 4.168 -0.628 2.991 1.00 0.00 C ATOM 2321 CG1 ILE B 50 4.291 0.527 3.982 1.00 0.00 C ATOM 2322 CG2 ILE B 50 3.148 -0.262 1.915 1.00 0.00 C ATOM 2323 CD1 ILE B 50 5.501 1.380 3.601 1.00 0.00 C ATOM 0 H ILE B 50 2.241 -0.555 4.454 1.00 0.00 H new ATOM 0 HA ILE B 50 3.588 -2.736 3.030 1.00 0.00 H new ATOM 0 HB ILE B 50 5.137 -0.810 2.525 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.384 1.132 3.970 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.405 0.143 4.996 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.468 0.646 1.404 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.071 -1.076 1.195 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.175 -0.094 2.378 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.598 2.208 4.303 1.00 0.00 H new ATOM 0 HD12 ILE B 50 6.403 0.768 3.635 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.367 1.773 2.593 1.00 0.00 H new ATOM 2335 N LYS B 51 5.676 -3.213 4.353 1.00 0.00 N ATOM 2336 CA LYS B 51 6.748 -3.635 5.310 1.00 0.00 C ATOM 2337 C LYS B 51 7.863 -4.395 4.571 1.00 0.00 C ATOM 2338 O LYS B 51 7.587 -5.274 3.787 1.00 0.00 O ATOM 2339 CB LYS B 51 6.051 -4.548 6.327 1.00 0.00 C ATOM 2340 CG LYS B 51 5.204 -5.598 5.599 1.00 0.00 C ATOM 2341 CD LYS B 51 5.019 -6.819 6.502 1.00 0.00 C ATOM 2342 CE LYS B 51 6.234 -7.743 6.367 1.00 0.00 C ATOM 2343 NZ LYS B 51 6.627 -8.067 7.766 1.00 0.00 N ATOM 0 H LYS B 51 5.697 -3.668 3.440 1.00 0.00 H new ATOM 0 HA LYS B 51 7.220 -2.780 5.794 1.00 0.00 H new ATOM 0 HB2 LYS B 51 6.794 -5.040 6.954 1.00 0.00 H new ATOM 0 HB3 LYS B 51 5.419 -3.954 6.987 1.00 0.00 H new ATOM 0 HG2 LYS B 51 4.234 -5.178 5.334 1.00 0.00 H new ATOM 0 HG3 LYS B 51 5.690 -5.891 4.668 1.00 0.00 H new ATOM 0 HD2 LYS B 51 4.902 -6.504 7.539 1.00 0.00 H new ATOM 0 HD3 LYS B 51 4.110 -7.354 6.227 1.00 0.00 H new ATOM 0 HE2 LYS B 51 5.984 -8.645 5.808 1.00 0.00 H new ATOM 0 HE3 LYS B 51 7.047 -7.251 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 7.454 -8.697 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 6.866 -7.190 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 5.836 -8.540 8.248 1.00 0.00 H new ATOM 2357 N PRO B 52 9.096 -4.026 4.840 1.00 0.00 N ATOM 2358 CA PRO B 52 10.247 -4.680 4.176 1.00 0.00 C ATOM 2359 C PRO B 52 10.663 -5.946 4.916 1.00 0.00 C ATOM 2360 O PRO B 52 10.541 -6.039 6.122 1.00 0.00 O ATOM 2361 CB PRO B 52 11.353 -3.642 4.279 1.00 0.00 C ATOM 2362 CG PRO B 52 11.006 -2.803 5.473 1.00 0.00 C ATOM 2363 CD PRO B 52 9.534 -2.983 5.771 1.00 0.00 C ATOM 0 HA PRO B 52 10.019 -4.980 3.153 1.00 0.00 H new ATOM 0 HB2 PRO B 52 12.326 -4.117 4.403 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.407 -3.035 3.375 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.606 -3.100 6.333 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.228 -1.754 5.277 1.00 0.00 H new ATOM 0 HD2 PRO B 52 9.372 -3.282 6.807 1.00 0.00 H new ATOM 0 HD3 PRO B 52 8.982 -2.056 5.617 1.00 0.00 H new ATOM 2371 N VAL B 53 11.178 -6.914 4.206 1.00 0.00 N ATOM 2372 CA VAL B 53 11.626 -8.159 4.887 1.00 0.00 C ATOM 2373 C VAL B 53 12.871 -8.751 4.219 1.00 0.00 C ATOM 2374 O VAL B 53 12.884 -9.085 3.053 1.00 0.00 O ATOM 2375 CB VAL B 53 10.432 -9.127 4.863 1.00 0.00 C ATOM 2376 CG1 VAL B 53 9.197 -8.426 5.437 1.00 0.00 C ATOM 2377 CG2 VAL B 53 10.125 -9.571 3.434 1.00 0.00 C ATOM 0 H VAL B 53 11.306 -6.896 3.194 1.00 0.00 H new ATOM 0 HA VAL B 53 11.926 -7.956 5.915 1.00 0.00 H new ATOM 0 HB VAL B 53 10.685 -10.002 5.462 1.00 0.00 H new ATOM 0 HG11 VAL B 53 8.349 -9.111 5.421 1.00 0.00 H new ATOM 0 HG12 VAL B 53 9.397 -8.120 6.464 1.00 0.00 H new ATOM 0 HG13 VAL B 53 8.965 -7.547 4.835 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.277 -10.256 3.440 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.883 -8.699 2.826 1.00 0.00 H new ATOM 0 HG23 VAL B 53 10.995 -10.076 3.015 1.00 0.00 H new ATOM 2387 N ALA B 54 13.926 -8.861 4.981 1.00 0.00 N ATOM 2388 CA ALA B 54 15.209 -9.409 4.445 1.00 0.00 C ATOM 2389 C ALA B 54 15.093 -10.913 4.184 1.00 0.00 C ATOM 2390 O ALA B 54 15.050 -11.713 5.098 1.00 0.00 O ATOM 2391 CB ALA B 54 16.246 -9.132 5.535 1.00 0.00 C ATOM 0 H ALA B 54 13.955 -8.592 5.964 1.00 0.00 H new ATOM 0 HA ALA B 54 15.480 -8.950 3.494 1.00 0.00 H new ATOM 0 HB1 ALA B 54 17.219 -9.506 5.216 1.00 0.00 H new ATOM 0 HB2 ALA B 54 16.311 -8.058 5.711 1.00 0.00 H new ATOM 0 HB3 ALA B 54 15.949 -9.634 6.456 1.00 0.00 H new ATOM 2710 N VAL B 75 15.565 -6.958 -0.521 1.00 0.00 N ATOM 2711 CA VAL B 75 14.596 -6.626 0.587 1.00 0.00 C ATOM 2712 C VAL B 75 13.181 -7.047 0.221 1.00 0.00 C ATOM 2713 O VAL B 75 12.786 -6.989 -0.929 1.00 0.00 O ATOM 2714 CB VAL B 75 14.680 -5.108 0.760 1.00 0.00 C ATOM 2715 CG1 VAL B 75 14.376 -4.422 -0.575 1.00 0.00 C ATOM 2716 CG2 VAL B 75 13.664 -4.655 1.814 1.00 0.00 C ATOM 0 HA VAL B 75 14.845 -7.155 1.507 1.00 0.00 H new ATOM 0 HB VAL B 75 15.684 -4.836 1.085 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.436 -3.341 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL B 75 15.102 -4.742 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL B 75 13.373 -4.694 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.725 -3.574 1.937 1.00 0.00 H new ATOM 0 HG22 VAL B 75 12.659 -4.928 1.492 1.00 0.00 H new ATOM 0 HG23 VAL B 75 13.885 -5.141 2.764 1.00 0.00 H new ATOM 2726 N GLY B 76 12.411 -7.479 1.181 1.00 0.00 N ATOM 2727 CA GLY B 76 11.036 -7.909 0.849 1.00 0.00 C ATOM 2728 C GLY B 76 10.065 -6.809 1.223 1.00 0.00 C ATOM 2729 O GLY B 76 9.411 -6.858 2.245 1.00 0.00 O ATOM 0 H GLY B 76 12.674 -7.550 2.164 1.00 0.00 H new ATOM 0 HA2 GLY B 76 10.959 -8.132 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY B 76 10.790 -8.825 1.385 1.00 0.00 H new ATOM 2733 N VAL B 77 9.972 -5.810 0.403 1.00 0.00 N ATOM 2734 CA VAL B 77 9.042 -4.697 0.705 1.00 0.00 C ATOM 2735 C VAL B 77 7.609 -5.203 0.634 1.00 0.00 C ATOM 2736 O VAL B 77 6.859 -4.851 -0.254 1.00 0.00 O ATOM 2737 CB VAL B 77 9.309 -3.631 -0.369 1.00 0.00 C ATOM 2738 CG1 VAL B 77 9.327 -4.268 -1.765 1.00 0.00 C ATOM 2739 CG2 VAL B 77 8.209 -2.568 -0.321 1.00 0.00 C ATOM 0 H VAL B 77 10.500 -5.715 -0.465 1.00 0.00 H new ATOM 0 HA VAL B 77 9.190 -4.287 1.704 1.00 0.00 H new ATOM 0 HB VAL B 77 10.279 -3.175 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL B 77 9.517 -3.499 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL B 77 10.113 -5.022 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL B 77 8.363 -4.737 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL B 77 8.400 -1.813 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.242 -3.036 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL B 77 8.200 -2.097 0.662 1.00 0.00 H new ATOM 2749 N SER B 78 7.219 -6.030 1.559 1.00 0.00 N ATOM 2750 CA SER B 78 5.829 -6.545 1.521 1.00 0.00 C ATOM 2751 C SER B 78 4.835 -5.396 1.722 1.00 0.00 C ATOM 2752 O SER B 78 5.202 -4.272 1.997 1.00 0.00 O ATOM 2753 CB SER B 78 5.742 -7.538 2.679 1.00 0.00 C ATOM 2754 OG SER B 78 5.979 -8.852 2.189 1.00 0.00 O ATOM 0 H SER B 78 7.795 -6.368 2.330 1.00 0.00 H new ATOM 0 HA SER B 78 5.587 -7.012 0.566 1.00 0.00 H new ATOM 0 HB2 SER B 78 6.475 -7.286 3.446 1.00 0.00 H new ATOM 0 HB3 SER B 78 4.759 -7.484 3.147 1.00 0.00 H new ATOM 0 HG SER B 78 5.926 -9.492 2.929 1.00 0.00 H new ATOM 2760 N VAL B 79 3.580 -5.700 1.591 1.00 0.00 N ATOM 2761 CA VAL B 79 2.490 -4.693 1.764 1.00 0.00 C ATOM 2762 C VAL B 79 1.162 -5.366 1.391 1.00 0.00 C ATOM 2763 O VAL B 79 1.154 -6.489 0.925 1.00 0.00 O ATOM 2764 CB VAL B 79 2.818 -3.563 0.770 1.00 0.00 C ATOM 2765 CG1 VAL B 79 3.027 -4.150 -0.632 1.00 0.00 C ATOM 2766 CG2 VAL B 79 1.667 -2.553 0.725 1.00 0.00 C ATOM 0 H VAL B 79 3.248 -6.637 1.363 1.00 0.00 H new ATOM 0 HA VAL B 79 2.412 -4.309 2.781 1.00 0.00 H new ATOM 0 HB VAL B 79 3.728 -3.061 1.097 1.00 0.00 H new ATOM 0 HG11 VAL B 79 3.259 -3.347 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL B 79 3.853 -4.861 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.118 -4.659 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL B 79 1.908 -1.758 0.020 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.754 -3.056 0.407 1.00 0.00 H new ATOM 0 HG23 VAL B 79 1.519 -2.126 1.717 1.00 0.00 H new ATOM 2776 N LYS B 80 0.051 -4.687 1.526 1.00 0.00 N ATOM 2777 CA LYS B 80 -1.244 -5.293 1.106 1.00 0.00 C ATOM 2778 C LYS B 80 -2.402 -4.325 1.363 1.00 0.00 C ATOM 2779 O LYS B 80 -2.240 -3.322 2.021 1.00 0.00 O ATOM 2780 CB LYS B 80 -1.410 -6.541 1.984 1.00 0.00 C ATOM 2781 CG LYS B 80 -1.320 -6.152 3.465 1.00 0.00 C ATOM 2782 CD LYS B 80 -2.691 -6.316 4.126 1.00 0.00 C ATOM 2783 CE LYS B 80 -3.044 -7.803 4.208 1.00 0.00 C ATOM 2784 NZ LYS B 80 -4.016 -7.906 5.331 1.00 0.00 N ATOM 0 H LYS B 80 -0.013 -3.743 1.908 1.00 0.00 H new ATOM 0 HA LYS B 80 -1.249 -5.528 0.042 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -2.371 -7.014 1.781 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -0.638 -7.271 1.743 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -0.584 -6.777 3.971 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -0.981 -5.120 3.560 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -2.680 -5.878 5.124 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -3.449 -5.783 3.553 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -3.481 -8.157 3.274 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -2.158 -8.409 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -4.306 -8.898 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -3.570 -7.568 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -4.852 -7.324 5.121 1.00 0.00 H new ATOM 2798 N PRO B 81 -3.546 -4.701 0.862 1.00 0.00 N ATOM 2799 CA PRO B 81 -4.782 -3.925 1.045 1.00 0.00 C ATOM 2800 C PRO B 81 -5.572 -4.462 2.242 1.00 0.00 C ATOM 2801 O PRO B 81 -5.694 -5.658 2.425 1.00 0.00 O ATOM 2802 CB PRO B 81 -5.545 -4.204 -0.245 1.00 0.00 C ATOM 2803 CG PRO B 81 -5.037 -5.532 -0.733 1.00 0.00 C ATOM 2804 CD PRO B 81 -3.784 -5.871 0.040 1.00 0.00 C ATOM 0 HA PRO B 81 -4.606 -2.866 1.234 1.00 0.00 H new ATOM 0 HB2 PRO B 81 -6.620 -4.237 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO B 81 -5.368 -3.421 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO B 81 -5.793 -6.304 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO B 81 -4.825 -5.489 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO B 81 -3.921 -6.764 0.649 1.00 0.00 H new ATOM 0 HD3 PRO B 81 -2.945 -6.066 -0.628 1.00 0.00 H new ATOM 2812 N GLY B 82 -6.128 -3.597 3.039 1.00 0.00 N ATOM 2813 CA GLY B 82 -6.931 -4.066 4.205 1.00 0.00 C ATOM 2814 C GLY B 82 -8.390 -4.160 3.773 1.00 0.00 C ATOM 2815 O GLY B 82 -8.693 -4.137 2.597 1.00 0.00 O ATOM 0 H GLY B 82 -6.063 -2.584 2.936 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -6.573 -5.037 4.547 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -6.826 -3.375 5.041 1.00 0.00 H new ATOM 2819 N GLU B 83 -9.300 -4.255 4.702 1.00 0.00 N ATOM 2820 CA GLU B 83 -10.731 -4.337 4.305 1.00 0.00 C ATOM 2821 C GLU B 83 -11.367 -2.950 4.322 1.00 0.00 C ATOM 2822 O GLU B 83 -12.385 -2.727 3.708 1.00 0.00 O ATOM 2823 CB GLU B 83 -11.398 -5.260 5.311 1.00 0.00 C ATOM 2824 CG GLU B 83 -11.233 -4.702 6.729 1.00 0.00 C ATOM 2825 CD GLU B 83 -10.279 -5.594 7.526 1.00 0.00 C ATOM 2826 OE1 GLU B 83 -10.423 -6.803 7.443 1.00 0.00 O ATOM 2827 OE2 GLU B 83 -9.421 -5.055 8.204 1.00 0.00 O ATOM 0 H GLU B 83 -9.118 -4.279 5.705 1.00 0.00 H new ATOM 0 HA GLU B 83 -10.846 -4.721 3.292 1.00 0.00 H new ATOM 0 HB2 GLU B 83 -12.457 -5.364 5.074 1.00 0.00 H new ATOM 0 HB3 GLU B 83 -10.958 -6.255 5.250 1.00 0.00 H new ATOM 0 HG2 GLU B 83 -10.845 -3.684 6.687 1.00 0.00 H new ATOM 0 HG3 GLU B 83 -12.202 -4.653 7.226 1.00 0.00 H new ATOM 2834 N SER B 84 -10.764 -2.000 4.989 1.00 0.00 N ATOM 2835 CA SER B 84 -11.346 -0.627 4.976 1.00 0.00 C ATOM 2836 C SER B 84 -11.350 -0.148 3.523 1.00 0.00 C ATOM 2837 O SER B 84 -12.251 0.530 3.064 1.00 0.00 O ATOM 2838 CB SER B 84 -10.407 0.225 5.830 1.00 0.00 C ATOM 2839 OG SER B 84 -10.723 1.599 5.648 1.00 0.00 O ATOM 0 H SER B 84 -9.909 -2.113 5.533 1.00 0.00 H new ATOM 0 HA SER B 84 -12.363 -0.576 5.364 1.00 0.00 H new ATOM 0 HB2 SER B 84 -10.506 -0.047 6.881 1.00 0.00 H new ATOM 0 HB3 SER B 84 -9.371 0.038 5.549 1.00 0.00 H new ATOM 0 HG SER B 84 -10.124 2.148 6.196 1.00 0.00 H new ATOM 2845 N LEU B 85 -10.344 -0.549 2.799 1.00 0.00 N ATOM 2846 CA LEU B 85 -10.228 -0.197 1.359 1.00 0.00 C ATOM 2847 C LEU B 85 -10.994 -1.242 0.545 1.00 0.00 C ATOM 2848 O LEU B 85 -11.507 -0.959 -0.520 1.00 0.00 O ATOM 2849 CB LEU B 85 -8.708 -0.223 1.125 1.00 0.00 C ATOM 2850 CG LEU B 85 -8.339 -0.565 -0.318 1.00 0.00 C ATOM 2851 CD1 LEU B 85 -8.352 0.700 -1.178 1.00 0.00 C ATOM 2852 CD2 LEU B 85 -6.928 -1.156 -0.325 1.00 0.00 C ATOM 0 H LEU B 85 -9.578 -1.121 3.156 1.00 0.00 H new ATOM 0 HA LEU B 85 -10.649 0.765 1.067 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -8.288 0.750 1.382 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -8.254 -0.953 1.795 1.00 0.00 H new ATOM 0 HG LEU B 85 -9.059 -1.277 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -8.088 0.445 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -9.348 1.143 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.630 1.415 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -6.644 -1.408 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -6.226 -0.426 0.077 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -6.907 -2.056 0.289 1.00 0.00 H new ATOM 2864 N LYS B 86 -11.117 -2.437 1.063 1.00 0.00 N ATOM 2865 CA LYS B 86 -11.898 -3.479 0.341 1.00 0.00 C ATOM 2866 C LYS B 86 -13.372 -3.224 0.589 1.00 0.00 C ATOM 2867 O LYS B 86 -14.209 -3.420 -0.270 1.00 0.00 O ATOM 2868 CB LYS B 86 -11.484 -4.815 0.953 1.00 0.00 C ATOM 2869 CG LYS B 86 -11.405 -5.883 -0.141 1.00 0.00 C ATOM 2870 CD LYS B 86 -11.911 -7.218 0.411 1.00 0.00 C ATOM 2871 CE LYS B 86 -11.827 -8.288 -0.681 1.00 0.00 C ATOM 2872 NZ LYS B 86 -10.371 -8.564 -0.839 1.00 0.00 N ATOM 0 H LYS B 86 -10.711 -2.733 1.951 1.00 0.00 H new ATOM 0 HA LYS B 86 -11.717 -3.472 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -10.518 -4.715 1.447 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -12.203 -5.115 1.716 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -12.004 -5.583 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.377 -5.987 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -11.315 -7.516 1.274 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -12.940 -7.115 0.755 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.371 -9.188 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -12.265 -7.935 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -10.223 -9.585 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -10.009 -8.052 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -9.863 -8.247 0.012 1.00 0.00 H new ATOM 2886 N LYS B 87 -13.687 -2.750 1.758 1.00 0.00 N ATOM 2887 CA LYS B 87 -15.094 -2.434 2.066 1.00 0.00 C ATOM 2888 C LYS B 87 -15.468 -1.261 1.176 1.00 0.00 C ATOM 2889 O LYS B 87 -16.529 -1.214 0.565 1.00 0.00 O ATOM 2890 CB LYS B 87 -15.118 -2.059 3.551 1.00 0.00 C ATOM 2891 CG LYS B 87 -16.501 -1.522 3.927 1.00 0.00 C ATOM 2892 CD LYS B 87 -16.499 -1.091 5.395 1.00 0.00 C ATOM 2893 CE LYS B 87 -17.908 -1.238 5.973 1.00 0.00 C ATOM 2894 NZ LYS B 87 -17.707 -1.782 7.345 1.00 0.00 N ATOM 0 H LYS B 87 -13.025 -2.569 2.512 1.00 0.00 H new ATOM 0 HA LYS B 87 -15.796 -3.248 1.889 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -14.878 -2.931 4.160 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -14.357 -1.307 3.758 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -16.761 -0.677 3.289 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -17.258 -2.289 3.763 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -15.796 -1.701 5.963 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -16.165 -0.057 5.481 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -18.425 -0.279 6.001 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -18.515 -1.910 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -18.630 -1.910 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -17.219 -2.698 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -17.132 -1.118 7.901 1.00 0.00 H new ATOM 2908 N ALA B 88 -14.552 -0.343 1.022 1.00 0.00 N ATOM 2909 CA ALA B 88 -14.813 0.772 0.099 1.00 0.00 C ATOM 2910 C ALA B 88 -15.024 0.133 -1.270 1.00 0.00 C ATOM 2911 O ALA B 88 -15.892 0.512 -2.037 1.00 0.00 O ATOM 2912 CB ALA B 88 -13.544 1.618 0.138 1.00 0.00 C ATOM 0 H ALA B 88 -13.648 -0.325 1.494 1.00 0.00 H new ATOM 0 HA ALA B 88 -15.678 1.390 0.342 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -13.657 2.474 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -13.372 1.969 1.156 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -12.695 1.016 -0.187 1.00 0.00 H new ATOM 2918 N ALA B 89 -14.261 -0.892 -1.553 1.00 0.00 N ATOM 2919 CA ALA B 89 -14.440 -1.605 -2.846 1.00 0.00 C ATOM 2920 C ALA B 89 -15.893 -2.057 -2.949 1.00 0.00 C ATOM 2921 O ALA B 89 -16.493 -2.030 -4.007 1.00 0.00 O ATOM 2922 CB ALA B 89 -13.489 -2.802 -2.800 1.00 0.00 C ATOM 0 H ALA B 89 -13.528 -1.261 -0.947 1.00 0.00 H new ATOM 0 HA ALA B 89 -14.221 -0.981 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -13.574 -3.370 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -12.465 -2.449 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -13.750 -3.442 -1.957 1.00 0.00 H new ATOM 2928 N GLU B 90 -16.484 -2.423 -1.840 1.00 0.00 N ATOM 2929 CA GLU B 90 -17.916 -2.818 -1.860 1.00 0.00 C ATOM 2930 C GLU B 90 -18.709 -1.650 -2.438 1.00 0.00 C ATOM 2931 O GLU B 90 -19.708 -1.821 -3.111 1.00 0.00 O ATOM 2932 CB GLU B 90 -18.293 -3.067 -0.397 1.00 0.00 C ATOM 2933 CG GLU B 90 -19.040 -4.395 -0.280 1.00 0.00 C ATOM 2934 CD GLU B 90 -20.548 -4.141 -0.308 1.00 0.00 C ATOM 2935 OE1 GLU B 90 -20.990 -3.418 -1.185 1.00 0.00 O ATOM 2936 OE2 GLU B 90 -21.234 -4.674 0.548 1.00 0.00 O ATOM 0 H GLU B 90 -16.034 -2.464 -0.926 1.00 0.00 H new ATOM 0 HA GLU B 90 -18.118 -3.704 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -17.396 -3.087 0.222 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -18.917 -2.253 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -18.757 -5.056 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -18.763 -4.899 0.646 1.00 0.00 H new ATOM 2943 N GLY B 91 -18.243 -0.456 -2.180 1.00 0.00 N ATOM 2944 CA GLY B 91 -18.929 0.758 -2.711 1.00 0.00 C ATOM 2945 C GLY B 91 -18.487 1.041 -4.160 1.00 0.00 C ATOM 2946 O GLY B 91 -19.099 1.835 -4.848 1.00 0.00 O ATOM 0 H GLY B 91 -17.411 -0.269 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY B 91 -20.009 0.617 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY B 91 -18.699 1.617 -2.081 1.00 0.00 H new ATOM 2950 N LEU B 92 -17.434 0.410 -4.637 1.00 0.00 N ATOM 2951 CA LEU B 92 -16.978 0.667 -6.044 1.00 0.00 C ATOM 2952 C LEU B 92 -17.845 -0.089 -7.056 1.00 0.00 C ATOM 2953 O LEU B 92 -17.449 -0.274 -8.181 1.00 0.00 O ATOM 2954 CB LEU B 92 -15.514 0.177 -6.089 1.00 0.00 C ATOM 2955 CG LEU B 92 -15.424 -1.270 -6.605 1.00 0.00 C ATOM 2956 CD1 LEU B 92 -15.131 -1.267 -8.110 1.00 0.00 C ATOM 2957 CD2 LEU B 92 -14.293 -2.007 -5.883 1.00 0.00 C ATOM 0 H LEU B 92 -16.876 -0.266 -4.116 1.00 0.00 H new ATOM 0 HA LEU B 92 -17.062 1.721 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -14.929 0.832 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -15.077 0.238 -5.092 1.00 0.00 H new ATOM 0 HG LEU B 92 -16.373 -1.772 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -15.068 -2.294 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -15.931 -0.746 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -14.185 -0.759 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -14.233 -3.031 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -13.348 -1.497 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -14.492 -2.018 -4.811 1.00 0.00 H new ATOM 2969 N LYS B 93 -19.003 -0.546 -6.650 1.00 0.00 N ATOM 2970 CA LYS B 93 -19.910 -1.333 -7.558 1.00 0.00 C ATOM 2971 C LYS B 93 -19.497 -2.803 -7.468 1.00 0.00 C ATOM 2972 O LYS B 93 -19.555 -3.557 -8.419 1.00 0.00 O ATOM 2973 CB LYS B 93 -19.774 -0.749 -8.990 1.00 0.00 C ATOM 2974 CG LYS B 93 -18.794 -1.564 -9.853 1.00 0.00 C ATOM 2975 CD LYS B 93 -18.086 -0.639 -10.852 1.00 0.00 C ATOM 2976 CE LYS B 93 -19.122 0.083 -11.723 1.00 0.00 C ATOM 2977 NZ LYS B 93 -19.864 -0.998 -12.433 1.00 0.00 N ATOM 0 H LYS B 93 -19.370 -0.406 -5.709 1.00 0.00 H new ATOM 0 HA LYS B 93 -20.960 -1.265 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -20.753 -0.733 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -19.431 0.284 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -18.059 -2.058 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -19.331 -2.348 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -17.477 0.090 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -17.410 -1.218 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -19.795 0.687 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -18.639 0.758 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -20.015 -0.722 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -19.312 -1.879 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -20.784 -1.148 -11.972 1.00 0.00 H new ATOM 2991 N TYR B 94 -19.078 -3.191 -6.298 1.00 0.00 N ATOM 2992 CA TYR B 94 -18.638 -4.591 -6.048 1.00 0.00 C ATOM 2993 C TYR B 94 -19.569 -5.595 -6.718 1.00 0.00 C ATOM 2994 O TYR B 94 -19.173 -6.349 -7.585 1.00 0.00 O ATOM 2995 CB TYR B 94 -18.725 -4.723 -4.534 1.00 0.00 C ATOM 2996 CG TYR B 94 -17.801 -5.810 -4.060 1.00 0.00 C ATOM 2997 CD1 TYR B 94 -18.090 -7.143 -4.346 1.00 0.00 C ATOM 2998 CD2 TYR B 94 -16.660 -5.487 -3.323 1.00 0.00 C ATOM 2999 CE1 TYR B 94 -17.238 -8.156 -3.892 1.00 0.00 C ATOM 3000 CE2 TYR B 94 -15.809 -6.499 -2.879 1.00 0.00 C ATOM 3001 CZ TYR B 94 -16.096 -7.830 -3.158 1.00 0.00 C ATOM 3002 OH TYR B 94 -15.251 -8.820 -2.711 1.00 0.00 O ATOM 0 H TYR B 94 -19.021 -2.580 -5.483 1.00 0.00 H new ATOM 0 HA TYR B 94 -17.644 -4.792 -6.447 1.00 0.00 H new ATOM 0 HB2 TYR B 94 -18.460 -3.777 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR B 94 -19.749 -4.950 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR B 94 -18.971 -7.394 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR B 94 -16.437 -4.455 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR B 94 -17.464 -9.190 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR B 94 -14.923 -6.247 -2.316 1.00 0.00 H new ATOM 0 HH TYR B 94 -14.360 -8.688 -3.096 1.00 0.00 H new ATOM 3012 N GLU B 95 -20.803 -5.606 -6.316 1.00 0.00 N ATOM 3013 CA GLU B 95 -21.772 -6.557 -6.917 1.00 0.00 C ATOM 3014 C GLU B 95 -21.847 -6.325 -8.424 1.00 0.00 C ATOM 3015 O GLU B 95 -22.034 -7.247 -9.196 1.00 0.00 O ATOM 3016 CB GLU B 95 -23.115 -6.251 -6.255 1.00 0.00 C ATOM 3017 CG GLU B 95 -23.181 -6.933 -4.888 1.00 0.00 C ATOM 3018 CD GLU B 95 -24.613 -6.865 -4.354 1.00 0.00 C ATOM 3019 OE1 GLU B 95 -25.455 -7.574 -4.880 1.00 0.00 O ATOM 3020 OE2 GLU B 95 -24.844 -6.104 -3.429 1.00 0.00 O ATOM 0 H GLU B 95 -21.185 -4.995 -5.594 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.484 -7.597 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -23.239 -5.174 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -23.931 -6.601 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -22.862 -7.972 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -22.498 -6.445 -4.193 1.00 0.00 H new ATOM 3027 N ASP B 96 -21.677 -5.101 -8.854 1.00 0.00 N ATOM 3028 CA ASP B 96 -21.711 -4.820 -10.317 1.00 0.00 C ATOM 3029 C ASP B 96 -20.534 -5.536 -10.976 1.00 0.00 C ATOM 3030 O ASP B 96 -20.640 -6.048 -12.074 1.00 0.00 O ATOM 3031 CB ASP B 96 -21.585 -3.304 -10.456 1.00 0.00 C ATOM 3032 CG ASP B 96 -22.942 -2.710 -10.840 1.00 0.00 C ATOM 3033 OD1 ASP B 96 -23.937 -3.157 -10.295 1.00 0.00 O ATOM 3034 OD2 ASP B 96 -22.962 -1.818 -11.672 1.00 0.00 O ATOM 0 H ASP B 96 -21.517 -4.289 -8.257 1.00 0.00 H new ATOM 0 HA ASP B 96 -22.625 -5.170 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP B 96 -21.239 -2.870 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP B 96 -20.841 -3.059 -11.214 1.00 0.00 H new ATOM 3039 N PHE B 97 -19.423 -5.620 -10.287 1.00 0.00 N ATOM 3040 CA PHE B 97 -18.256 -6.355 -10.845 1.00 0.00 C ATOM 3041 C PHE B 97 -18.459 -7.842 -10.545 1.00 0.00 C ATOM 3042 O PHE B 97 -17.784 -8.704 -11.071 1.00 0.00 O ATOM 3043 CB PHE B 97 -17.042 -5.813 -10.089 1.00 0.00 C ATOM 3044 CG PHE B 97 -16.176 -5.002 -11.022 1.00 0.00 C ATOM 3045 CD1 PHE B 97 -15.432 -5.642 -12.021 1.00 0.00 C ATOM 3046 CD2 PHE B 97 -16.114 -3.610 -10.885 1.00 0.00 C ATOM 3047 CE1 PHE B 97 -14.627 -4.889 -12.882 1.00 0.00 C ATOM 3048 CE2 PHE B 97 -15.308 -2.857 -11.747 1.00 0.00 C ATOM 3049 CZ PHE B 97 -14.564 -3.497 -12.746 1.00 0.00 C ATOM 0 H PHE B 97 -19.278 -5.211 -9.364 1.00 0.00 H new ATOM 0 HA PHE B 97 -18.132 -6.231 -11.921 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -17.369 -5.195 -9.253 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -16.466 -6.638 -9.669 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -15.480 -6.716 -12.126 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -16.688 -3.117 -10.114 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -14.053 -5.382 -13.653 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -15.260 -1.783 -11.642 1.00 0.00 H new ATOM 0 HZ PHE B 97 -13.942 -2.917 -13.411 1.00 0.00 H new