USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1140 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 98 ASN : amide:sc= -0.343 K(o=0.19,f=-4.6!) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -157:sc= 0.537 (180deg=0.492) USER MOD Set 2.1: B 96 THR OG1 : rot 180:sc= -0.437 USER MOD Set 2.2: B 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 83 GLN : amide:sc= 0.261 K(o=1.3,f=-0.8) USER MOD Set 3.2: B 84 SER OG : rot 160:sc= 1.02 USER MOD Set 4.1: B 79 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0) USER MOD Set 4.2: B 121 THR OG1 : rot 66:sc= 2.14 USER MOD Set 5.1: A 30 THR OG1 : rot -82:sc= 0.28 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= 0.25 USER MOD Set 6.1: A 4 ASN : amide:sc= -0.902! C(o=-0.59!,f=-10!) USER MOD Set 6.2: A 37 ASN : amide:sc= 0.315 K(o=-0.59,f=-9.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= 1.12 (180deg=-0.0921) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.11) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0255 (180deg=-0.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 1.19 K(o=1.2,f=-0.17) USER MOD Single : A 18 SER OG : rot 170:sc= 1.02 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.9 K(o=-0.9,f=-4.7!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 1.34 (180deg=0.809) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot -130:sc= -0.0474 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -2.43 K(o=-2.4,f=-3.5!) USER MOD Single : B 71 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.1) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 103 ASN : amide:sc= -0.0694 X(o=-0.069,f=-0.072) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.24 K(o=-0.24,f=-1) USER MOD Single : B 114 LYS NZ :NH3+ -179:sc= 0.329 (180deg=0.328) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 22:sc= 1.27 USER MOD Single : B 120 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : B 128 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : B 130 GLN : amide:sc= -1.32 K(o=-1.3,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.493 -4.566 4.662 1.00 4.52 N ATOM 2 CA MET A 1 11.833 -5.570 5.496 1.00 15.43 C ATOM 3 C MET A 1 10.380 -5.247 5.609 1.00 54.41 C ATOM 4 O MET A 1 9.992 -4.074 5.566 1.00 33.23 O ATOM 5 CB MET A 1 12.412 -5.637 6.914 1.00 32.24 C ATOM 6 CG MET A 1 13.812 -6.181 7.025 1.00 0.23 C ATOM 7 SD MET A 1 14.348 -6.271 8.745 1.00 54.32 S ATOM 8 CE MET A 1 16.006 -6.901 8.533 1.00 74.51 C ATOM 0 H1 MET A 1 13.505 -4.791 4.583 1.00 4.52 H new ATOM 0 H2 MET A 1 12.064 -4.565 3.715 1.00 4.52 H new ATOM 0 H3 MET A 1 12.380 -3.627 5.094 1.00 4.52 H new ATOM 0 HA MET A 1 11.995 -6.534 5.013 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.397 -4.634 7.340 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.753 -6.253 7.526 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.855 -7.173 6.576 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.496 -5.547 6.462 1.00 0.23 H new ATOM 0 HE1 MET A 1 16.479 -7.015 9.508 1.00 74.51 H new ATOM 0 HE2 MET A 1 15.966 -7.869 8.033 1.00 74.51 H new ATOM 0 HE3 MET A 1 16.585 -6.204 7.928 1.00 74.51 H new ATOM 20 N ILE A 2 9.585 -6.266 5.764 1.00 22.43 N ATOM 21 CA ILE A 2 8.172 -6.120 5.955 1.00 32.41 C ATOM 22 C ILE A 2 7.791 -6.842 7.226 1.00 45.13 C ATOM 23 O ILE A 2 8.131 -8.016 7.414 1.00 32.11 O ATOM 24 CB ILE A 2 7.339 -6.652 4.735 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.618 -5.806 3.473 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.836 -6.686 5.040 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.285 -4.331 3.620 1.00 54.01 C ATOM 0 H ILE A 2 9.905 -7.235 5.761 1.00 22.43 H new ATOM 0 HA ILE A 2 7.937 -5.059 6.035 1.00 32.41 H new ATOM 0 HB ILE A 2 7.658 -7.677 4.547 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.671 -5.904 3.210 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.043 -6.215 2.642 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.297 -7.060 4.170 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.652 -7.342 5.891 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.490 -5.680 5.276 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.511 -3.812 2.688 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.226 -4.218 3.850 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.879 -3.903 4.427 1.00 54.01 H new ATOM 39 N ILE A 3 7.121 -6.145 8.088 1.00 31.31 N ATOM 40 CA ILE A 3 6.698 -6.671 9.347 1.00 25.12 C ATOM 41 C ILE A 3 5.190 -6.696 9.286 1.00 13.31 C ATOM 42 O ILE A 3 4.551 -5.653 9.211 1.00 33.20 O ATOM 43 CB ILE A 3 7.188 -5.771 10.518 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.725 -5.629 10.458 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.750 -6.352 11.863 1.00 51.22 C ATOM 46 CD1 ILE A 3 9.316 -4.702 11.497 1.00 2.41 C ATOM 0 H ILE A 3 6.847 -5.175 7.933 1.00 31.31 H new ATOM 0 HA ILE A 3 7.112 -7.663 9.527 1.00 25.12 H new ATOM 0 HB ILE A 3 6.739 -4.783 10.417 1.00 23.21 H new ATOM 0 HG12 ILE A 3 9.172 -6.616 10.575 1.00 63.44 H new ATOM 0 HG13 ILE A 3 9.004 -5.268 9.468 1.00 63.44 H new ATOM 0 HG21 ILE A 3 7.102 -5.709 12.669 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.662 -6.413 11.896 1.00 51.22 H new ATOM 0 HG23 ILE A 3 7.173 -7.349 11.984 1.00 51.22 H new ATOM 0 HD11 ILE A 3 10.399 -4.665 11.378 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.903 -3.702 11.369 1.00 2.41 H new ATOM 0 HD13 ILE A 3 9.073 -5.070 12.494 1.00 2.41 H new ATOM 58 N ASN A 4 4.630 -7.858 9.245 1.00 20.22 N ATOM 59 CA ASN A 4 3.212 -8.008 9.026 1.00 24.23 C ATOM 60 C ASN A 4 2.462 -8.248 10.328 1.00 32.00 C ATOM 61 O ASN A 4 2.904 -9.025 11.174 1.00 60.31 O ATOM 62 CB ASN A 4 3.010 -9.167 8.049 1.00 41.35 C ATOM 63 CG ASN A 4 1.571 -9.465 7.721 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.722 -8.593 7.764 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.302 -10.691 7.362 1.00 33.01 N ATOM 0 H ASN A 4 5.134 -8.737 9.361 1.00 20.22 H new ATOM 0 HA ASN A 4 2.806 -7.087 8.608 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.541 -8.942 7.124 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.467 -10.063 8.469 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.350 -10.949 7.104 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.044 -11.390 7.340 1.00 33.01 H new ATOM 72 N ASN A 5 1.358 -7.550 10.497 1.00 65.43 N ATOM 73 CA ASN A 5 0.509 -7.689 11.674 1.00 54.20 C ATOM 74 C ASN A 5 -0.912 -8.017 11.238 1.00 74.31 C ATOM 75 O ASN A 5 -1.846 -7.833 12.008 1.00 70.34 O ATOM 76 CB ASN A 5 0.466 -6.377 12.505 1.00 72.22 C ATOM 77 CG ASN A 5 1.812 -5.886 12.996 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.283 -6.280 14.071 1.00 62.01 O ATOM 79 ND2 ASN A 5 2.416 -4.989 12.252 1.00 62.53 N ATOM 0 H ASN A 5 1.018 -6.866 9.821 1.00 65.43 H new ATOM 0 HA ASN A 5 0.926 -8.486 12.289 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.010 -5.595 11.898 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.184 -6.531 13.366 1.00 72.22 H new ATOM 0 HD21 ASN A 5 3.305 -4.591 12.554 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.996 -4.690 11.372 1.00 62.53 H new ATOM 86 N LEU A 6 -1.063 -8.531 10.010 1.00 31.42 N ATOM 87 CA LEU A 6 -2.377 -8.857 9.400 1.00 41.12 C ATOM 88 C LEU A 6 -3.245 -9.666 10.378 1.00 32.41 C ATOM 89 O LEU A 6 -4.416 -9.326 10.610 1.00 15.34 O ATOM 90 CB LEU A 6 -2.144 -9.656 8.076 1.00 22.14 C ATOM 91 CG LEU A 6 -3.292 -9.763 7.021 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.540 -10.457 7.542 1.00 11.20 C ATOM 93 CD2 LEU A 6 -3.632 -8.401 6.455 1.00 33.32 C ATOM 0 H LEU A 6 -0.273 -8.738 9.399 1.00 31.42 H new ATOM 0 HA LEU A 6 -2.908 -7.932 9.174 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.283 -9.212 7.576 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.863 -10.672 8.354 1.00 22.14 H new ATOM 0 HG LEU A 6 -2.906 -10.397 6.223 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.292 -10.493 6.754 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.290 -11.472 7.852 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.935 -9.904 8.395 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -4.433 -8.501 5.723 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -3.957 -7.743 7.261 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -2.751 -7.977 5.973 1.00 33.32 H new ATOM 105 N LYS A 7 -2.676 -10.715 10.961 1.00 14.34 N ATOM 106 CA LYS A 7 -3.418 -11.541 11.895 1.00 42.10 C ATOM 107 C LYS A 7 -3.835 -10.761 13.139 1.00 53.11 C ATOM 108 O LYS A 7 -4.932 -10.931 13.616 1.00 74.22 O ATOM 109 CB LYS A 7 -2.693 -12.836 12.276 1.00 5.41 C ATOM 110 CG LYS A 7 -1.408 -12.671 13.073 1.00 35.52 C ATOM 111 CD LYS A 7 -0.907 -14.018 13.570 1.00 25.45 C ATOM 112 CE LYS A 7 -1.963 -14.704 14.438 1.00 12.21 C ATOM 113 NZ LYS A 7 -1.504 -15.998 14.955 1.00 61.12 N ATOM 0 H LYS A 7 -1.712 -11.009 10.803 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.321 -11.839 11.362 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.378 -13.456 12.854 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.462 -13.382 11.362 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.646 -12.201 12.451 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.582 -12.007 13.920 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.659 -14.654 12.721 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.009 -13.881 14.144 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -2.223 -14.053 15.273 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.871 -14.850 13.854 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -2.253 -16.425 15.537 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -1.281 -16.630 14.160 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.652 -15.858 15.535 1.00 61.12 H new ATOM 127 N LEU A 8 -2.953 -9.900 13.636 1.00 3.54 N ATOM 128 CA LEU A 8 -3.224 -9.078 14.820 1.00 24.22 C ATOM 129 C LEU A 8 -4.434 -8.168 14.549 1.00 33.32 C ATOM 130 O LEU A 8 -5.273 -7.956 15.419 1.00 35.35 O ATOM 131 CB LEU A 8 -1.937 -8.272 15.190 1.00 15.15 C ATOM 132 CG LEU A 8 -1.895 -7.463 16.520 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.742 -6.200 16.474 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.300 -8.341 17.696 1.00 34.11 C ATOM 0 H LEU A 8 -2.029 -9.749 13.232 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.478 -9.704 15.675 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.105 -8.976 15.209 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.744 -7.573 14.376 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.863 -7.140 16.656 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.672 -5.680 17.429 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.380 -5.548 15.679 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.781 -6.466 16.281 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.264 -7.757 18.616 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.313 -8.712 17.541 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.613 -9.184 17.774 1.00 34.11 H new ATOM 146 N ILE A 9 -4.526 -7.664 13.334 1.00 72.34 N ATOM 147 CA ILE A 9 -5.666 -6.849 12.931 1.00 55.53 C ATOM 148 C ILE A 9 -6.918 -7.718 12.827 1.00 3.21 C ATOM 149 O ILE A 9 -8.020 -7.298 13.206 1.00 40.20 O ATOM 150 CB ILE A 9 -5.410 -6.006 11.632 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.531 -4.769 11.932 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.719 -5.552 10.994 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.146 -5.044 12.460 1.00 1.24 C ATOM 0 H ILE A 9 -3.827 -7.802 12.605 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.824 -6.105 13.711 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.885 -6.656 10.932 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.438 -4.186 11.016 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.055 -4.145 12.656 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.504 -4.971 10.097 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.315 -6.424 10.727 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.274 -4.936 11.701 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.628 -4.100 12.631 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.217 -5.595 13.398 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.590 -5.636 11.733 1.00 1.24 H new ATOM 165 N ARG A 10 -6.742 -8.943 12.341 1.00 23.44 N ATOM 166 CA ARG A 10 -7.830 -9.902 12.335 1.00 2.23 C ATOM 167 C ARG A 10 -8.319 -10.158 13.747 1.00 61.23 C ATOM 168 O ARG A 10 -9.481 -10.454 13.932 1.00 0.10 O ATOM 169 CB ARG A 10 -7.466 -11.243 11.693 1.00 24.15 C ATOM 170 CG ARG A 10 -7.309 -11.245 10.185 1.00 71.12 C ATOM 171 CD ARG A 10 -7.233 -12.683 9.686 1.00 32.20 C ATOM 172 NE ARG A 10 -8.416 -13.451 10.140 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.503 -14.788 10.257 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.567 -15.582 9.776 1.00 64.25 N ATOM 175 NH2 ARG A 10 -9.565 -15.322 10.832 1.00 51.23 N ATOM 0 H ARG A 10 -5.865 -9.288 11.951 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.614 -9.450 11.727 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.532 -11.592 12.135 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.235 -11.969 11.958 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.150 -10.731 9.720 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -6.408 -10.702 9.901 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.180 -12.694 8.597 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.322 -13.155 10.054 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.246 -12.913 10.388 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.755 -15.185 9.303 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.655 -16.593 9.877 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -10.311 -14.721 11.183 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -9.639 -16.335 10.925 1.00 51.23 H new ATOM 189 N GLU A 11 -7.393 -10.143 14.717 1.00 3.43 N ATOM 190 CA GLU A 11 -7.713 -10.265 16.143 1.00 32.25 C ATOM 191 C GLU A 11 -8.411 -9.000 16.688 1.00 23.22 C ATOM 192 O GLU A 11 -9.207 -9.080 17.622 1.00 24.24 O ATOM 193 CB GLU A 11 -6.452 -10.575 16.963 1.00 73.21 C ATOM 194 CG GLU A 11 -5.685 -11.782 16.457 1.00 31.54 C ATOM 195 CD GLU A 11 -4.537 -12.178 17.346 1.00 75.21 C ATOM 196 OE1 GLU A 11 -3.490 -11.513 17.358 1.00 73.43 O ATOM 197 OE2 GLU A 11 -4.671 -13.189 18.069 1.00 52.20 O ATOM 0 H GLU A 11 -6.395 -10.045 14.531 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.410 -11.097 16.244 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.796 -9.705 16.949 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.736 -10.744 18.002 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.370 -12.625 16.364 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.304 -11.568 15.458 1.00 31.54 H new ATOM 204 N LYS A 12 -8.028 -7.826 16.166 1.00 12.34 N ATOM 205 CA LYS A 12 -8.685 -6.551 16.527 1.00 0.30 C ATOM 206 C LYS A 12 -10.187 -6.578 16.215 1.00 41.03 C ATOM 207 O LYS A 12 -11.002 -5.980 16.935 1.00 70.21 O ATOM 208 CB LYS A 12 -7.975 -5.351 15.869 1.00 31.15 C ATOM 209 CG LYS A 12 -6.556 -5.129 16.403 1.00 63.14 C ATOM 210 CD LYS A 12 -5.804 -3.992 15.701 1.00 63.03 C ATOM 211 CE LYS A 12 -6.521 -2.655 15.820 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.704 -1.541 15.295 1.00 22.43 N ATOM 0 H LYS A 12 -7.268 -7.728 15.493 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.593 -6.426 17.606 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.931 -5.508 14.791 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.565 -4.450 16.036 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.609 -4.913 17.470 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -5.987 -6.052 16.292 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.805 -3.904 16.128 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.679 -4.240 14.647 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.465 -2.700 15.277 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.764 -2.465 16.866 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -6.328 -0.806 14.905 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.132 -1.137 16.064 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -5.076 -1.895 14.546 1.00 22.43 H new ATOM 226 N LYS A 13 -10.541 -7.266 15.169 1.00 11.23 N ATOM 227 CA LYS A 13 -11.929 -7.573 14.862 1.00 71.54 C ATOM 228 C LYS A 13 -12.057 -9.068 15.100 1.00 62.41 C ATOM 229 O LYS A 13 -11.219 -9.615 15.786 1.00 22.21 O ATOM 230 CB LYS A 13 -12.249 -7.192 13.402 1.00 24.24 C ATOM 231 CG LYS A 13 -12.069 -5.701 13.137 1.00 24.13 C ATOM 232 CD LYS A 13 -13.028 -4.871 13.988 1.00 4.22 C ATOM 233 CE LYS A 13 -12.592 -3.411 14.106 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.456 -2.721 12.803 1.00 54.41 N ATOM 0 H LYS A 13 -9.876 -7.639 14.491 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.634 -7.014 15.477 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.602 -7.758 12.732 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.275 -7.478 13.171 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -11.041 -5.411 13.355 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.242 -5.493 12.081 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -14.026 -4.915 13.552 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -13.096 -5.308 14.984 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.317 -2.873 14.717 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.638 -3.368 14.631 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.109 -1.753 12.957 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.781 -3.239 12.205 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.382 -2.686 12.330 1.00 54.41 H new ATOM 248 N LYS A 14 -13.076 -9.742 14.659 1.00 71.43 N ATOM 249 CA LYS A 14 -13.024 -11.181 14.705 1.00 32.42 C ATOM 250 C LYS A 14 -13.730 -11.746 13.506 1.00 13.24 C ATOM 251 O LYS A 14 -14.914 -12.058 13.534 1.00 5.54 O ATOM 252 CB LYS A 14 -13.510 -11.797 16.048 1.00 73.24 C ATOM 253 CG LYS A 14 -14.880 -11.351 16.536 1.00 40.21 C ATOM 254 CD LYS A 14 -15.254 -12.080 17.816 1.00 43.22 C ATOM 255 CE LYS A 14 -16.568 -11.582 18.390 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.497 -10.163 18.803 1.00 23.43 N ATOM 0 H LYS A 14 -13.931 -9.340 14.274 1.00 71.43 H new ATOM 0 HA LYS A 14 -11.974 -11.472 14.663 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.520 -12.882 15.943 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -12.777 -11.558 16.819 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -14.877 -10.275 16.711 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.628 -11.547 15.767 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.327 -13.149 17.616 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.462 -11.947 18.554 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.356 -11.703 17.647 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -16.843 -12.195 19.248 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.328 -9.928 19.383 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.632 -10.006 19.358 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.481 -9.556 17.959 1.00 23.43 H new ATOM 270 N ILE A 15 -13.021 -11.763 12.425 1.00 13.13 N ATOM 271 CA ILE A 15 -13.534 -12.244 11.177 1.00 43.54 C ATOM 272 C ILE A 15 -12.628 -13.370 10.716 1.00 51.30 C ATOM 273 O ILE A 15 -11.394 -13.262 10.836 1.00 65.41 O ATOM 274 CB ILE A 15 -13.578 -11.098 10.113 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.426 -9.917 10.633 1.00 24.32 C ATOM 276 CG2 ILE A 15 -14.144 -11.608 8.795 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.504 -8.731 9.687 1.00 1.24 C ATOM 0 H ILE A 15 -12.055 -11.439 12.380 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.556 -12.603 11.301 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.559 -10.752 9.940 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.437 -10.273 10.833 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.012 -9.580 11.584 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.166 -10.795 8.069 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.516 -12.415 8.417 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -15.156 -11.980 8.953 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.119 -7.949 10.133 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.501 -8.344 9.505 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.948 -9.047 8.743 1.00 1.24 H new ATOM 289 N SER A 16 -13.211 -14.428 10.212 1.00 2.42 N ATOM 290 CA SER A 16 -12.475 -15.596 9.821 1.00 41.31 C ATOM 291 C SER A 16 -12.069 -15.499 8.351 1.00 13.21 C ATOM 292 O SER A 16 -12.515 -14.583 7.629 1.00 35.13 O ATOM 293 CB SER A 16 -13.318 -16.835 10.079 1.00 43.33 C ATOM 294 OG SER A 16 -13.830 -16.816 11.406 1.00 71.34 O ATOM 0 H SER A 16 -14.217 -14.500 10.062 1.00 2.42 H new ATOM 0 HA SER A 16 -11.562 -15.667 10.413 1.00 41.31 H new ATOM 0 HB2 SER A 16 -14.141 -16.879 9.365 1.00 43.33 H new ATOM 0 HB3 SER A 16 -12.716 -17.731 9.927 1.00 43.33 H new ATOM 0 HG SER A 16 -14.372 -17.618 11.559 1.00 71.34 H new ATOM 300 N GLN A 17 -11.247 -16.445 7.909 1.00 45.12 N ATOM 301 CA GLN A 17 -10.694 -16.439 6.560 1.00 65.34 C ATOM 302 C GLN A 17 -11.797 -16.483 5.499 1.00 13.44 C ATOM 303 O GLN A 17 -11.708 -15.796 4.486 1.00 12.11 O ATOM 304 CB GLN A 17 -9.729 -17.618 6.349 1.00 30.22 C ATOM 305 CG GLN A 17 -8.698 -17.793 7.456 1.00 4.43 C ATOM 306 CD GLN A 17 -7.675 -18.868 7.151 1.00 53.31 C ATOM 307 OE1 GLN A 17 -7.891 -20.053 7.424 1.00 72.33 O ATOM 308 NE2 GLN A 17 -6.529 -18.473 6.682 1.00 45.23 N ATOM 0 H GLN A 17 -10.946 -17.237 8.476 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.142 -15.505 6.449 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -10.310 -18.536 6.262 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -9.207 -17.480 5.402 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -8.184 -16.846 7.618 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -9.210 -18.041 8.386 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -6.379 -17.488 6.465 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -5.780 -19.148 6.531 1.00 45.23 H new ATOM 317 N SER A 18 -12.843 -17.266 5.744 1.00 55.44 N ATOM 318 CA SER A 18 -13.924 -17.423 4.786 1.00 52.11 C ATOM 319 C SER A 18 -14.731 -16.134 4.589 1.00 62.21 C ATOM 320 O SER A 18 -15.022 -15.759 3.444 1.00 10.02 O ATOM 321 CB SER A 18 -14.826 -18.578 5.209 1.00 45.03 C ATOM 322 OG SER A 18 -14.053 -19.765 5.389 1.00 21.34 O ATOM 0 H SER A 18 -12.962 -17.803 6.603 1.00 55.44 H new ATOM 0 HA SER A 18 -13.477 -17.652 3.819 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.341 -18.326 6.136 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.593 -18.746 4.453 1.00 45.03 H new ATOM 0 HG SER A 18 -14.606 -20.454 5.813 1.00 21.34 H new ATOM 328 N GLU A 19 -15.072 -15.442 5.685 1.00 50.43 N ATOM 329 CA GLU A 19 -15.833 -14.199 5.568 1.00 3.23 C ATOM 330 C GLU A 19 -15.022 -13.173 4.814 1.00 41.23 C ATOM 331 O GLU A 19 -15.557 -12.456 3.963 1.00 11.14 O ATOM 332 CB GLU A 19 -16.267 -13.588 6.911 1.00 33.34 C ATOM 333 CG GLU A 19 -17.074 -14.479 7.829 1.00 42.23 C ATOM 334 CD GLU A 19 -16.218 -15.416 8.615 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.951 -16.541 8.149 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.796 -15.050 9.723 1.00 64.25 O ATOM 0 H GLU A 19 -14.838 -15.716 6.639 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.745 -14.466 5.034 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.372 -13.269 7.445 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.852 -12.692 6.705 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.653 -13.860 8.514 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.787 -15.053 7.238 1.00 42.23 H new ATOM 343 N LEU A 20 -13.724 -13.108 5.121 1.00 73.22 N ATOM 344 CA LEU A 20 -12.827 -12.196 4.442 1.00 10.22 C ATOM 345 C LEU A 20 -12.715 -12.535 2.974 1.00 65.33 C ATOM 346 O LEU A 20 -12.810 -11.662 2.143 1.00 30.50 O ATOM 347 CB LEU A 20 -11.438 -12.199 5.091 1.00 32.54 C ATOM 348 CG LEU A 20 -11.351 -11.591 6.490 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.953 -11.765 7.058 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.719 -10.114 6.441 1.00 23.21 C ATOM 0 H LEU A 20 -13.279 -13.681 5.838 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.249 -11.195 4.535 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -11.085 -13.229 5.141 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.753 -11.658 4.438 1.00 32.54 H new ATOM 0 HG LEU A 20 -12.056 -12.109 7.140 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.908 -11.326 8.055 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.714 -12.827 7.118 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.232 -11.267 6.410 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.654 -9.689 7.443 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.030 -9.589 5.779 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.737 -10.005 6.066 1.00 23.21 H new ATOM 362 N ALA A 21 -12.578 -13.812 2.663 1.00 4.44 N ATOM 363 CA ALA A 21 -12.450 -14.260 1.284 1.00 14.42 C ATOM 364 C ALA A 21 -13.648 -13.841 0.454 1.00 35.03 C ATOM 365 O ALA A 21 -13.492 -13.295 -0.636 1.00 72.55 O ATOM 366 CB ALA A 21 -12.267 -15.758 1.224 1.00 1.41 C ATOM 0 H ALA A 21 -12.552 -14.564 3.352 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.565 -13.783 0.863 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.173 -16.072 0.184 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.365 -16.037 1.770 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.130 -16.248 1.675 1.00 1.41 H new ATOM 372 N ALA A 22 -14.837 -14.075 0.973 1.00 4.14 N ATOM 373 CA ALA A 22 -16.055 -13.687 0.285 1.00 53.23 C ATOM 374 C ALA A 22 -16.152 -12.168 0.154 1.00 34.22 C ATOM 375 O ALA A 22 -16.415 -11.640 -0.922 1.00 30.41 O ATOM 376 CB ALA A 22 -17.268 -14.239 1.017 1.00 24.13 C ATOM 0 H ALA A 22 -14.987 -14.533 1.872 1.00 4.14 H new ATOM 0 HA ALA A 22 -16.029 -14.108 -0.720 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.176 -13.942 0.492 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.208 -15.327 1.051 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.291 -13.845 2.033 1.00 24.13 H new ATOM 382 N LEU A 23 -15.859 -11.481 1.232 1.00 71.12 N ATOM 383 CA LEU A 23 -16.006 -10.042 1.297 1.00 42.20 C ATOM 384 C LEU A 23 -14.983 -9.326 0.399 1.00 63.22 C ATOM 385 O LEU A 23 -15.302 -8.335 -0.262 1.00 30.24 O ATOM 386 CB LEU A 23 -15.878 -9.597 2.756 1.00 60.54 C ATOM 387 CG LEU A 23 -16.223 -8.152 3.081 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.653 -7.836 2.657 1.00 60.14 C ATOM 389 CD2 LEU A 23 -16.053 -7.916 4.573 1.00 50.33 C ATOM 0 H LEU A 23 -15.511 -11.903 2.093 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.991 -9.767 0.921 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.517 -10.240 3.361 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.851 -9.778 3.074 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.551 -7.493 2.532 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.883 -6.798 2.897 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.757 -7.992 1.583 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.343 -8.492 3.187 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -16.300 -6.881 4.808 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.717 -8.582 5.125 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -15.020 -8.116 4.858 1.00 50.33 H new ATOM 401 N LEU A 24 -13.771 -9.843 0.353 1.00 61.11 N ATOM 402 CA LEU A 24 -12.711 -9.253 -0.457 1.00 33.50 C ATOM 403 C LEU A 24 -12.782 -9.762 -1.895 1.00 13.04 C ATOM 404 O LEU A 24 -12.035 -9.287 -2.760 1.00 54.12 O ATOM 405 CB LEU A 24 -11.342 -9.642 0.116 1.00 1.13 C ATOM 406 CG LEU A 24 -11.090 -9.341 1.593 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.729 -9.857 2.009 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.208 -7.868 1.878 1.00 43.42 C ATOM 0 H LEU A 24 -13.490 -10.676 0.869 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.841 -8.171 -0.443 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.203 -10.712 -0.039 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.575 -9.133 -0.468 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.853 -9.854 2.178 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.563 -9.636 3.063 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.685 -10.935 1.853 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.958 -9.372 1.411 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.023 -7.686 2.937 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.475 -7.322 1.283 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.211 -7.527 1.621 1.00 43.42 H new ATOM 420 N GLU A 25 -13.688 -10.718 -2.134 1.00 45.33 N ATOM 421 CA GLU A 25 -13.873 -11.377 -3.437 1.00 22.43 C ATOM 422 C GLU A 25 -12.627 -12.139 -3.855 1.00 63.31 C ATOM 423 O GLU A 25 -12.327 -12.269 -5.048 1.00 72.53 O ATOM 424 CB GLU A 25 -14.259 -10.395 -4.527 1.00 34.10 C ATOM 425 CG GLU A 25 -15.587 -9.728 -4.328 1.00 74.02 C ATOM 426 CD GLU A 25 -15.957 -8.954 -5.539 1.00 63.23 C ATOM 427 OE1 GLU A 25 -16.525 -9.547 -6.478 1.00 73.13 O ATOM 428 OE2 GLU A 25 -15.656 -7.758 -5.609 1.00 54.24 O ATOM 0 H GLU A 25 -14.325 -11.063 -1.416 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.694 -12.082 -3.308 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.489 -9.627 -4.595 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.271 -10.920 -5.482 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.351 -10.477 -4.118 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.544 -9.066 -3.463 1.00 74.02 H new ATOM 435 N VAL A 26 -11.949 -12.699 -2.894 1.00 33.53 N ATOM 436 CA VAL A 26 -10.733 -13.422 -3.145 1.00 2.41 C ATOM 437 C VAL A 26 -10.923 -14.862 -2.725 1.00 32.32 C ATOM 438 O VAL A 26 -11.951 -15.223 -2.142 1.00 23.34 O ATOM 439 CB VAL A 26 -9.509 -12.822 -2.375 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.228 -11.396 -2.810 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.711 -12.885 -0.860 1.00 4.10 C ATOM 0 H VAL A 26 -12.224 -12.668 -1.912 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.518 -13.348 -4.211 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.643 -13.435 -2.627 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.373 -11.009 -2.257 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.008 -11.378 -3.877 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.101 -10.775 -2.609 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.841 -12.460 -0.359 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.601 -12.317 -0.588 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.835 -13.923 -0.552 1.00 4.10 H new ATOM 451 N SER A 27 -9.982 -15.676 -3.038 1.00 35.42 N ATOM 452 CA SER A 27 -10.008 -17.027 -2.606 1.00 0.14 C ATOM 453 C SER A 27 -9.350 -17.132 -1.224 1.00 54.44 C ATOM 454 O SER A 27 -8.515 -16.289 -0.860 1.00 24.14 O ATOM 455 CB SER A 27 -9.328 -17.886 -3.651 1.00 23.34 C ATOM 456 OG SER A 27 -9.987 -17.716 -4.912 1.00 1.11 O ATOM 0 H SER A 27 -9.170 -15.425 -3.602 1.00 35.42 H new ATOM 0 HA SER A 27 -11.031 -17.388 -2.499 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.277 -17.609 -3.737 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.358 -18.934 -3.351 1.00 23.34 H new ATOM 0 HG SER A 27 -9.546 -18.271 -5.589 1.00 1.11 H new ATOM 462 N ARG A 28 -9.749 -18.124 -0.446 1.00 33.45 N ATOM 463 CA ARG A 28 -9.234 -18.303 0.909 1.00 2.32 C ATOM 464 C ARG A 28 -7.736 -18.542 0.942 1.00 72.10 C ATOM 465 O ARG A 28 -7.071 -18.153 1.895 1.00 61.25 O ATOM 466 CB ARG A 28 -9.992 -19.378 1.687 1.00 73.14 C ATOM 467 CG ARG A 28 -11.451 -19.032 1.909 1.00 54.32 C ATOM 468 CD ARG A 28 -12.139 -20.001 2.840 1.00 53.33 C ATOM 469 NE ARG A 28 -12.205 -21.363 2.316 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.903 -22.351 2.878 1.00 13.43 C ATOM 471 NH1 ARG A 28 -13.631 -22.121 3.975 1.00 20.31 N ATOM 472 NH2 ARG A 28 -12.890 -23.557 2.337 1.00 44.34 N ATOM 0 H ARG A 28 -10.434 -18.825 -0.729 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.412 -17.356 1.418 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.927 -20.323 1.148 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.509 -19.528 2.653 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.524 -18.025 2.319 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.969 -19.024 0.950 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.612 -20.012 3.794 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.151 -19.647 3.038 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.683 -21.572 1.465 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -13.654 -21.187 4.385 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -14.163 -22.879 4.402 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.347 -23.731 1.491 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.423 -24.314 2.765 1.00 44.34 H new ATOM 486 N GLN A 29 -7.198 -19.152 -0.106 1.00 63.51 N ATOM 487 CA GLN A 29 -5.760 -19.356 -0.196 1.00 73.10 C ATOM 488 C GLN A 29 -5.058 -18.002 -0.330 1.00 21.43 C ATOM 489 O GLN A 29 -3.981 -17.791 0.222 1.00 63.01 O ATOM 490 CB GLN A 29 -5.413 -20.329 -1.356 1.00 14.11 C ATOM 491 CG GLN A 29 -3.924 -20.683 -1.500 1.00 34.33 C ATOM 492 CD GLN A 29 -3.105 -19.645 -2.256 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.600 -18.986 -3.164 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.878 -19.469 -1.863 1.00 24.53 N ATOM 0 H GLN A 29 -7.731 -19.511 -0.898 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.398 -19.827 0.718 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -5.976 -21.252 -1.214 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.756 -19.888 -2.292 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.496 -20.814 -0.506 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -3.838 -21.641 -2.013 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.499 -20.036 -1.104 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.294 -18.764 -2.314 1.00 24.53 H new ATOM 503 N THR A 30 -5.713 -17.083 -1.012 1.00 21.22 N ATOM 504 CA THR A 30 -5.205 -15.755 -1.215 1.00 0.23 C ATOM 505 C THR A 30 -5.112 -14.995 0.127 1.00 24.14 C ATOM 506 O THR A 30 -4.047 -14.486 0.469 1.00 5.35 O ATOM 507 CB THR A 30 -6.118 -15.004 -2.213 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.185 -15.760 -3.442 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.608 -13.595 -2.501 1.00 50.43 C ATOM 0 H THR A 30 -6.623 -17.247 -1.443 1.00 21.22 H new ATOM 0 HA THR A 30 -4.199 -15.815 -1.630 1.00 0.23 H new ATOM 0 HB THR A 30 -7.108 -14.908 -1.768 1.00 71.41 H new ATOM 0 HG1 THR A 30 -5.394 -15.569 -3.987 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.278 -13.103 -3.206 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.574 -13.024 -1.573 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.607 -13.651 -2.930 1.00 50.43 H new ATOM 517 N ILE A 31 -6.206 -14.967 0.899 1.00 3.24 N ATOM 518 CA ILE A 31 -6.191 -14.282 2.200 1.00 15.23 C ATOM 519 C ILE A 31 -5.207 -14.958 3.172 1.00 54.43 C ATOM 520 O ILE A 31 -4.428 -14.276 3.841 1.00 12.25 O ATOM 521 CB ILE A 31 -7.631 -14.110 2.834 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.579 -13.383 4.192 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.372 -15.428 2.965 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.057 -11.961 4.118 1.00 15.23 C ATOM 0 H ILE A 31 -7.096 -15.401 0.653 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.834 -13.269 2.013 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.191 -13.488 2.136 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.581 -13.368 4.622 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.948 -13.954 4.873 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.353 -15.251 3.405 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.492 -15.877 1.979 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.803 -16.103 3.605 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.053 -11.522 5.116 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -6.042 -11.966 3.720 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.700 -11.371 3.465 1.00 15.23 H new ATOM 536 N ASN A 32 -5.197 -16.290 3.171 1.00 30.33 N ATOM 537 CA ASN A 32 -4.272 -17.081 4.001 1.00 60.42 C ATOM 538 C ASN A 32 -2.825 -16.765 3.621 1.00 3.24 C ATOM 539 O ASN A 32 -1.950 -16.626 4.477 1.00 13.11 O ATOM 540 CB ASN A 32 -4.575 -18.589 3.823 1.00 64.50 C ATOM 541 CG ASN A 32 -3.636 -19.535 4.575 1.00 24.43 C ATOM 542 OD1 ASN A 32 -3.065 -19.201 5.614 1.00 33.15 O ATOM 543 ND2 ASN A 32 -3.505 -20.738 4.073 1.00 74.02 N ATOM 0 H ASN A 32 -5.825 -16.855 2.599 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.411 -16.820 5.050 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.597 -18.779 4.152 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.532 -18.829 2.761 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.918 -21.426 4.544 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -3.990 -20.986 3.211 1.00 74.02 H new ATOM 550 N GLY A 33 -2.593 -16.612 2.332 1.00 32.15 N ATOM 551 CA GLY A 33 -1.286 -16.268 1.838 1.00 62.40 C ATOM 552 C GLY A 33 -0.852 -14.878 2.270 1.00 51.22 C ATOM 553 O GLY A 33 0.345 -14.643 2.515 1.00 73.51 O ATOM 0 H GLY A 33 -3.303 -16.723 1.608 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.561 -17.000 2.195 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.285 -16.324 0.749 1.00 62.40 H new ATOM 557 N ILE A 34 -1.799 -13.943 2.332 1.00 55.13 N ATOM 558 CA ILE A 34 -1.518 -12.580 2.777 1.00 14.23 C ATOM 559 C ILE A 34 -1.258 -12.560 4.283 1.00 12.31 C ATOM 560 O ILE A 34 -0.362 -11.853 4.753 1.00 62.21 O ATOM 561 CB ILE A 34 -2.671 -11.586 2.425 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.959 -11.577 0.909 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.342 -10.170 2.909 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.774 -11.196 0.039 1.00 51.13 C ATOM 0 H ILE A 34 -2.773 -14.107 2.078 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.628 -12.248 2.243 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.567 -11.930 2.941 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.306 -12.567 0.613 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.775 -10.882 0.712 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.161 -9.498 2.651 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.205 -10.178 3.990 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.425 -9.826 2.430 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.071 -11.217 -1.010 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.438 -10.193 0.301 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.962 -11.904 0.200 1.00 51.13 H new ATOM 576 N GLU A 35 -2.024 -13.356 5.033 1.00 42.35 N ATOM 577 CA GLU A 35 -1.827 -13.484 6.487 1.00 14.13 C ATOM 578 C GLU A 35 -0.420 -13.952 6.809 1.00 62.12 C ATOM 579 O GLU A 35 0.186 -13.516 7.795 1.00 33.44 O ATOM 580 CB GLU A 35 -2.794 -14.498 7.086 1.00 72.22 C ATOM 581 CG GLU A 35 -4.255 -14.138 7.003 1.00 22.14 C ATOM 582 CD GLU A 35 -5.107 -15.178 7.665 1.00 2.35 C ATOM 583 OE1 GLU A 35 -5.079 -15.274 8.920 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.813 -15.914 6.984 1.00 14.03 O ATOM 0 H GLU A 35 -2.787 -13.923 4.662 1.00 42.35 H new ATOM 0 HA GLU A 35 -2.004 -12.496 6.912 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.646 -15.454 6.584 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.534 -14.645 8.134 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.422 -13.171 7.478 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.548 -14.035 5.958 1.00 22.14 H new ATOM 591 N LYS A 36 0.108 -14.809 5.969 1.00 72.42 N ATOM 592 CA LYS A 36 1.439 -15.345 6.166 1.00 3.42 C ATOM 593 C LYS A 36 2.465 -14.520 5.393 1.00 64.33 C ATOM 594 O LYS A 36 3.651 -14.851 5.392 1.00 74.05 O ATOM 595 CB LYS A 36 1.496 -16.807 5.698 1.00 71.34 C ATOM 596 CG LYS A 36 0.398 -17.706 6.273 1.00 73.40 C ATOM 597 CD LYS A 36 0.396 -17.762 7.796 1.00 3.32 C ATOM 598 CE LYS A 36 1.676 -18.361 8.341 1.00 11.20 C ATOM 599 NZ LYS A 36 1.617 -18.555 9.795 1.00 30.21 N ATOM 0 H LYS A 36 -0.366 -15.154 5.135 1.00 72.42 H new ATOM 0 HA LYS A 36 1.675 -15.299 7.229 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.432 -16.829 4.610 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.466 -17.223 5.969 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.572 -17.347 5.929 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.522 -18.715 5.880 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.267 -16.756 8.196 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.455 -18.352 8.136 1.00 3.32 H new ATOM 0 HE2 LYS A 36 1.864 -19.318 7.855 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.514 -17.709 8.096 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 2.513 -18.967 10.127 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 1.463 -17.638 10.262 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 0.833 -19.198 10.028 1.00 30.21 H new ATOM 613 N ASN A 37 1.978 -13.425 4.760 1.00 21.34 N ATOM 614 CA ASN A 37 2.766 -12.502 3.896 1.00 41.10 C ATOM 615 C ASN A 37 3.720 -13.232 2.963 1.00 30.41 C ATOM 616 O ASN A 37 4.831 -12.783 2.690 1.00 2.25 O ATOM 617 CB ASN A 37 3.448 -11.344 4.692 1.00 42.23 C ATOM 618 CG ASN A 37 4.401 -11.783 5.793 1.00 63.02 C ATOM 619 OD1 ASN A 37 3.972 -12.045 6.917 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.678 -11.796 5.520 1.00 15.22 N ATOM 0 H ASN A 37 0.999 -13.149 4.836 1.00 21.34 H new ATOM 0 HA ASN A 37 2.038 -12.014 3.248 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.996 -10.716 3.989 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.670 -10.722 5.135 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.353 -12.028 6.249 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.000 -11.574 4.578 1.00 15.22 H new ATOM 627 N LYS A 38 3.222 -14.310 2.396 1.00 23.05 N ATOM 628 CA LYS A 38 4.001 -15.150 1.513 1.00 71.21 C ATOM 629 C LYS A 38 3.470 -15.010 0.090 1.00 63.12 C ATOM 630 O LYS A 38 4.199 -15.163 -0.889 1.00 54.40 O ATOM 631 CB LYS A 38 3.914 -16.610 1.988 1.00 54.41 C ATOM 632 CG LYS A 38 4.711 -17.608 1.150 1.00 51.33 C ATOM 633 CD LYS A 38 4.572 -19.030 1.685 1.00 14.11 C ATOM 634 CE LYS A 38 3.121 -19.494 1.680 1.00 53.22 C ATOM 635 NZ LYS A 38 2.974 -20.866 2.192 1.00 30.43 N ATOM 0 H LYS A 38 2.263 -14.629 2.535 1.00 23.05 H new ATOM 0 HA LYS A 38 5.047 -14.843 1.528 1.00 71.21 H new ATOM 0 HB2 LYS A 38 4.264 -16.663 3.019 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.867 -16.914 1.990 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.367 -17.573 0.116 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.763 -17.322 1.146 1.00 51.33 H new ATOM 0 HD2 LYS A 38 5.173 -19.708 1.078 1.00 14.11 H new ATOM 0 HD3 LYS A 38 4.966 -19.077 2.700 1.00 14.11 H new ATOM 0 HE2 LYS A 38 2.522 -18.815 2.287 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.729 -19.443 0.664 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 1.971 -21.139 2.170 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 3.524 -21.519 1.598 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 3.324 -20.911 3.170 1.00 30.43 H new ATOM 649 N TYR A 39 2.197 -14.653 -0.005 1.00 74.05 N ATOM 650 CA TYR A 39 1.490 -14.502 -1.281 1.00 12.53 C ATOM 651 C TYR A 39 1.897 -13.183 -1.952 1.00 13.41 C ATOM 652 O TYR A 39 1.625 -12.969 -3.126 1.00 2.12 O ATOM 653 CB TYR A 39 -0.015 -14.484 -0.969 1.00 73.50 C ATOM 654 CG TYR A 39 -0.968 -14.657 -2.130 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.435 -13.571 -2.864 1.00 33.20 C ATOM 656 CD2 TYR A 39 -1.435 -15.914 -2.459 1.00 62.14 C ATOM 657 CE1 TYR A 39 -2.332 -13.746 -3.898 1.00 1.32 C ATOM 658 CE2 TYR A 39 -2.338 -16.095 -3.481 1.00 3.04 C ATOM 659 CZ TYR A 39 -2.783 -15.014 -4.197 1.00 33.11 C ATOM 660 OH TYR A 39 -3.703 -15.197 -5.208 1.00 24.32 O ATOM 0 H TYR A 39 1.614 -14.456 0.808 1.00 74.05 H new ATOM 0 HA TYR A 39 1.737 -15.320 -1.958 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.219 -15.273 -0.246 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.247 -13.537 -0.481 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -1.090 -12.577 -2.621 1.00 33.20 H new ATOM 0 HD2 TYR A 39 -1.085 -16.771 -1.903 1.00 62.14 H new ATOM 0 HE1 TYR A 39 -2.678 -12.897 -4.468 1.00 1.32 H new ATOM 0 HE2 TYR A 39 -2.695 -17.086 -3.719 1.00 3.04 H new ATOM 0 HH TYR A 39 -3.914 -16.150 -5.289 1.00 24.32 H new ATOM 670 N ASN A 40 2.596 -12.345 -1.182 1.00 43.42 N ATOM 671 CA ASN A 40 3.005 -10.970 -1.582 1.00 41.25 C ATOM 672 C ASN A 40 1.775 -10.060 -1.713 1.00 40.41 C ATOM 673 O ASN A 40 1.016 -10.161 -2.674 1.00 21.44 O ATOM 674 CB ASN A 40 3.812 -10.933 -2.901 1.00 44.44 C ATOM 675 CG ASN A 40 4.325 -9.531 -3.243 1.00 2.30 C ATOM 676 OD1 ASN A 40 4.350 -9.134 -4.412 1.00 64.13 O ATOM 677 ND2 ASN A 40 4.829 -8.820 -2.260 1.00 53.45 N ATOM 0 H ASN A 40 2.906 -12.595 -0.243 1.00 43.42 H new ATOM 0 HA ASN A 40 3.660 -10.607 -0.790 1.00 41.25 H new ATOM 0 HB2 ASN A 40 4.658 -11.616 -2.823 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.185 -11.294 -3.716 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.256 -7.914 -2.453 1.00 53.45 H new ATOM 0 HD22 ASN A 40 4.794 -9.174 -1.304 1.00 53.45 H new ATOM 684 N PRO A 41 1.537 -9.189 -0.738 1.00 2.41 N ATOM 685 CA PRO A 41 0.382 -8.308 -0.743 1.00 33.40 C ATOM 686 C PRO A 41 0.601 -7.021 -1.551 1.00 61.13 C ATOM 687 O PRO A 41 1.414 -6.175 -1.178 1.00 2.50 O ATOM 688 CB PRO A 41 0.180 -7.970 0.752 1.00 23.24 C ATOM 689 CG PRO A 41 1.312 -8.642 1.485 1.00 52.51 C ATOM 690 CD PRO A 41 2.350 -8.978 0.455 1.00 12.41 C ATOM 0 HA PRO A 41 -0.476 -8.787 -1.215 1.00 33.40 H new ATOM 0 HB2 PRO A 41 0.195 -6.892 0.914 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.785 -8.332 1.107 1.00 23.24 H new ATOM 0 HG2 PRO A 41 1.724 -7.983 2.249 1.00 52.51 H new ATOM 0 HG3 PRO A 41 0.965 -9.542 1.993 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.069 -8.169 0.321 1.00 12.41 H new ATOM 0 HD3 PRO A 41 2.918 -9.868 0.724 1.00 12.41 H new ATOM 698 N SER A 42 -0.094 -6.901 -2.667 1.00 32.11 N ATOM 699 CA SER A 42 -0.075 -5.678 -3.438 1.00 31.54 C ATOM 700 C SER A 42 -0.977 -4.652 -2.735 1.00 35.33 C ATOM 701 O SER A 42 -1.773 -5.033 -1.861 1.00 31.14 O ATOM 702 CB SER A 42 -0.564 -5.951 -4.860 1.00 33.24 C ATOM 703 OG SER A 42 0.231 -6.950 -5.492 1.00 63.24 O ATOM 0 H SER A 42 -0.679 -7.639 -3.058 1.00 32.11 H new ATOM 0 HA SER A 42 0.939 -5.285 -3.505 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.605 -6.273 -4.835 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.529 -5.031 -5.443 1.00 33.24 H new ATOM 0 HG SER A 42 -0.103 -7.108 -6.400 1.00 63.24 H new ATOM 709 N LEU A 43 -0.892 -3.388 -3.129 1.00 41.22 N ATOM 710 CA LEU A 43 -1.600 -2.321 -2.440 1.00 3.42 C ATOM 711 C LEU A 43 -3.110 -2.533 -2.442 1.00 71.35 C ATOM 712 O LEU A 43 -3.710 -2.527 -1.395 1.00 31.14 O ATOM 713 CB LEU A 43 -1.184 -0.920 -2.988 1.00 34.44 C ATOM 714 CG LEU A 43 -1.687 0.357 -2.232 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.160 0.646 -2.497 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.421 0.250 -0.715 1.00 44.53 C ATOM 0 H LEU A 43 -0.337 -3.077 -3.926 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.300 -2.352 -1.393 1.00 3.42 H new ATOM 0 HB2 LEU A 43 -0.095 -0.883 -3.012 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.529 -0.852 -4.020 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.115 1.197 -2.626 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.459 1.540 -1.951 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.313 0.805 -3.564 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.762 -0.200 -2.166 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -1.781 1.151 -0.218 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -1.943 -0.619 -0.314 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.351 0.142 -0.540 1.00 44.53 H new ATOM 728 N GLN A 44 -3.718 -2.751 -3.600 1.00 2.30 N ATOM 729 CA GLN A 44 -5.173 -2.912 -3.673 1.00 25.44 C ATOM 730 C GLN A 44 -5.634 -4.148 -2.886 1.00 14.52 C ATOM 731 O GLN A 44 -6.693 -4.129 -2.226 1.00 12.34 O ATOM 732 CB GLN A 44 -5.651 -2.974 -5.132 1.00 43.20 C ATOM 733 CG GLN A 44 -7.169 -3.029 -5.294 1.00 23.12 C ATOM 734 CD GLN A 44 -7.872 -1.829 -4.673 1.00 1.11 C ATOM 735 OE1 GLN A 44 -8.078 -0.811 -5.318 1.00 21.35 O ATOM 736 NE2 GLN A 44 -8.244 -1.942 -3.421 1.00 45.30 N ATOM 0 H GLN A 44 -3.237 -2.821 -4.497 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.628 -2.036 -3.211 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -5.272 -2.101 -5.664 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -5.214 -3.852 -5.608 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -7.415 -3.080 -6.355 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -7.546 -3.943 -4.835 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -8.058 -2.805 -2.909 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -8.720 -1.167 -2.958 1.00 45.30 H new ATOM 745 N LEU A 45 -4.833 -5.196 -2.944 1.00 33.52 N ATOM 746 CA LEU A 45 -5.092 -6.432 -2.211 1.00 33.42 C ATOM 747 C LEU A 45 -5.047 -6.183 -0.712 1.00 12.12 C ATOM 748 O LEU A 45 -5.936 -6.594 0.019 1.00 53.21 O ATOM 749 CB LEU A 45 -4.098 -7.558 -2.602 1.00 75.22 C ATOM 750 CG LEU A 45 -4.272 -8.223 -3.988 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.653 -8.828 -4.125 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.982 -7.264 -5.139 1.00 1.23 C ATOM 0 H LEU A 45 -3.979 -5.219 -3.502 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.092 -6.768 -2.485 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.090 -7.147 -2.552 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.162 -8.339 -1.845 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.533 -9.022 -4.050 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.752 -9.290 -5.107 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -5.798 -9.583 -3.353 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.405 -8.047 -4.014 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.119 -7.782 -6.088 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.665 -6.416 -5.087 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.955 -6.908 -5.066 1.00 1.23 H new ATOM 764 N ALA A 46 -4.033 -5.473 -0.279 1.00 72.35 N ATOM 765 CA ALA A 46 -3.863 -5.135 1.120 1.00 41.10 C ATOM 766 C ALA A 46 -4.934 -4.145 1.562 1.00 44.34 C ATOM 767 O ALA A 46 -5.485 -4.253 2.654 1.00 24.52 O ATOM 768 CB ALA A 46 -2.475 -4.563 1.363 1.00 4.33 C ATOM 0 H ALA A 46 -3.298 -5.111 -0.886 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.969 -6.044 1.712 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.364 -4.314 2.418 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.723 -5.301 1.083 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.342 -3.663 0.762 1.00 4.33 H new ATOM 774 N LEU A 47 -5.245 -3.201 0.690 1.00 33.43 N ATOM 775 CA LEU A 47 -6.184 -2.146 0.983 1.00 23.45 C ATOM 776 C LEU A 47 -7.596 -2.675 1.162 1.00 50.21 C ATOM 777 O LEU A 47 -8.319 -2.184 2.013 1.00 21.23 O ATOM 778 CB LEU A 47 -6.101 -1.021 -0.086 1.00 32.41 C ATOM 779 CG LEU A 47 -6.950 0.257 0.126 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.413 0.066 -0.279 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.854 0.716 1.579 1.00 70.53 C ATOM 0 H LEU A 47 -4.846 -3.150 -0.247 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.905 -1.705 1.940 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.057 -0.717 -0.169 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.384 -1.453 -1.046 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.540 1.028 -0.527 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.961 0.993 -0.109 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.467 -0.199 -1.335 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.855 -0.732 0.318 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -7.455 1.615 1.717 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.224 -0.072 2.235 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.814 0.933 1.824 1.00 70.53 H new ATOM 793 N LYS A 48 -8.008 -3.665 0.381 1.00 52.33 N ATOM 794 CA LYS A 48 -9.354 -4.195 0.579 1.00 54.10 C ATOM 795 C LYS A 48 -9.476 -4.812 1.969 1.00 25.41 C ATOM 796 O LYS A 48 -10.474 -4.622 2.655 1.00 42.33 O ATOM 797 CB LYS A 48 -9.816 -5.154 -0.544 1.00 63.32 C ATOM 798 CG LYS A 48 -8.911 -6.349 -0.815 1.00 23.52 C ATOM 799 CD LYS A 48 -9.522 -7.295 -1.850 1.00 64.34 C ATOM 800 CE LYS A 48 -9.815 -6.593 -3.167 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.474 -7.488 -4.150 1.00 33.32 N ATOM 0 H LYS A 48 -7.462 -4.101 -0.362 1.00 52.33 H new ATOM 0 HA LYS A 48 -10.045 -3.354 0.516 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.809 -5.525 -0.292 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.914 -4.581 -1.466 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.941 -5.999 -1.169 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.735 -6.891 0.114 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.840 -8.126 -2.027 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.444 -7.719 -1.453 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.453 -5.729 -2.981 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.884 -6.216 -3.590 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.152 -6.941 -4.718 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -9.756 -7.905 -4.776 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -10.977 -8.246 -3.646 1.00 33.32 H new ATOM 815 N ILE A 49 -8.419 -5.476 2.398 1.00 54.11 N ATOM 816 CA ILE A 49 -8.355 -6.044 3.737 1.00 1.24 C ATOM 817 C ILE A 49 -8.402 -4.905 4.766 1.00 2.41 C ATOM 818 O ILE A 49 -9.170 -4.948 5.723 1.00 64.12 O ATOM 819 CB ILE A 49 -7.049 -6.854 3.936 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.904 -7.901 2.829 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.046 -7.528 5.306 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.607 -8.678 2.871 1.00 35.31 C ATOM 0 H ILE A 49 -7.584 -5.638 1.834 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.203 -6.716 3.871 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.202 -6.170 3.884 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.736 -8.602 2.897 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.985 -7.404 1.862 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.123 -8.093 5.431 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.115 -6.769 6.085 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.898 -8.204 5.381 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.587 -9.397 2.052 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.767 -7.990 2.770 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.530 -9.207 3.821 1.00 35.31 H new ATOM 834 N ALA A 50 -7.628 -3.861 4.492 1.00 44.20 N ATOM 835 CA ALA A 50 -7.516 -2.681 5.349 1.00 11.21 C ATOM 836 C ALA A 50 -8.852 -1.988 5.514 1.00 70.10 C ATOM 837 O ALA A 50 -9.203 -1.540 6.594 1.00 34.45 O ATOM 838 CB ALA A 50 -6.536 -1.704 4.742 1.00 53.40 C ATOM 0 H ALA A 50 -7.049 -3.808 3.654 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.170 -3.013 6.328 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.454 -0.826 5.382 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.559 -2.178 4.650 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.887 -1.402 3.755 1.00 53.40 H new ATOM 844 N TYR A 51 -9.564 -1.887 4.426 1.00 50.04 N ATOM 845 CA TYR A 51 -10.853 -1.260 4.378 1.00 11.22 C ATOM 846 C TYR A 51 -11.917 -2.105 5.101 1.00 40.54 C ATOM 847 O TYR A 51 -12.642 -1.600 5.953 1.00 51.22 O ATOM 848 CB TYR A 51 -11.222 -0.991 2.904 1.00 31.54 C ATOM 849 CG TYR A 51 -12.598 -0.427 2.671 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.836 0.942 2.667 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.654 -1.275 2.447 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.109 1.439 2.449 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.928 -0.797 2.229 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.151 0.559 2.232 1.00 45.04 C ATOM 855 OH TYR A 51 -16.428 1.038 2.020 1.00 12.24 O ATOM 0 H TYR A 51 -9.254 -2.249 3.524 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.816 -0.308 4.908 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.490 -0.301 2.485 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.133 -1.925 2.349 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.018 1.626 2.836 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.482 -2.341 2.441 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.286 2.504 2.449 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.745 -1.483 2.057 1.00 14.05 H new ATOM 0 HH TYR A 51 -17.041 0.286 1.883 1.00 12.24 H new ATOM 865 N TYR A 52 -11.992 -3.387 4.784 1.00 52.41 N ATOM 866 CA TYR A 52 -13.013 -4.250 5.376 1.00 3.45 C ATOM 867 C TYR A 52 -12.757 -4.600 6.832 1.00 25.43 C ATOM 868 O TYR A 52 -13.683 -4.823 7.579 1.00 40.30 O ATOM 869 CB TYR A 52 -13.311 -5.469 4.525 1.00 51.32 C ATOM 870 CG TYR A 52 -14.002 -5.117 3.230 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.329 -4.708 3.220 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.341 -5.199 2.027 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.968 -4.397 2.040 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.961 -4.889 0.849 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.275 -4.489 0.857 1.00 75.33 C ATOM 876 OH TYR A 52 -15.901 -4.188 -0.329 1.00 10.50 O ATOM 0 H TYR A 52 -11.367 -3.854 4.127 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.922 -3.648 5.387 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.380 -5.991 4.306 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.937 -6.159 5.091 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.869 -4.633 4.152 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.309 -5.516 2.013 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -17.002 -4.084 2.045 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.420 -4.958 -0.083 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.270 -4.303 -1.070 1.00 10.50 H new ATOM 886 N LEU A 53 -11.512 -4.646 7.230 1.00 43.52 N ATOM 887 CA LEU A 53 -11.195 -4.822 8.648 1.00 35.04 C ATOM 888 C LEU A 53 -11.158 -3.464 9.323 1.00 52.42 C ATOM 889 O LEU A 53 -11.085 -3.360 10.546 1.00 34.31 O ATOM 890 CB LEU A 53 -9.873 -5.578 8.854 1.00 34.25 C ATOM 891 CG LEU A 53 -9.887 -7.064 8.471 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.510 -7.673 8.648 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.899 -7.816 9.322 1.00 30.33 C ATOM 0 H LEU A 53 -10.703 -4.567 6.614 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.975 -5.433 9.103 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.097 -5.080 8.273 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.589 -5.495 9.903 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.173 -7.146 7.422 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.540 -8.727 8.372 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.797 -7.151 8.011 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.202 -7.580 9.689 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.900 -8.869 9.041 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.631 -7.721 10.374 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.892 -7.397 9.161 1.00 30.33 H new ATOM 904 N ASN A 54 -11.250 -2.442 8.477 1.00 23.44 N ATOM 905 CA ASN A 54 -11.224 -1.022 8.813 1.00 34.54 C ATOM 906 C ASN A 54 -10.128 -0.707 9.796 1.00 23.31 C ATOM 907 O ASN A 54 -10.361 -0.571 11.002 1.00 53.04 O ATOM 908 CB ASN A 54 -12.582 -0.468 9.273 1.00 0.13 C ATOM 909 CG ASN A 54 -12.577 1.051 9.292 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.886 1.684 8.492 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.348 1.648 10.143 1.00 61.11 N ATOM 0 H ASN A 54 -11.351 -2.594 7.473 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.000 -0.502 7.882 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.368 -0.823 8.606 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.814 -0.846 10.269 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.394 2.667 10.162 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.910 1.100 10.794 1.00 61.11 H new ATOM 918 N THR A 55 -8.928 -0.710 9.307 1.00 45.02 N ATOM 919 CA THR A 55 -7.770 -0.466 10.108 1.00 24.13 C ATOM 920 C THR A 55 -6.732 0.247 9.243 1.00 75.14 C ATOM 921 O THR A 55 -6.614 -0.071 8.048 1.00 45.22 O ATOM 922 CB THR A 55 -7.198 -1.818 10.611 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.240 -2.557 11.264 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.068 -1.606 11.595 1.00 53.13 C ATOM 0 H THR A 55 -8.722 -0.885 8.323 1.00 45.02 H new ATOM 0 HA THR A 55 -8.025 0.151 10.969 1.00 24.13 H new ATOM 0 HB THR A 55 -6.814 -2.365 9.750 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.923 -2.866 12.138 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.690 -2.572 11.928 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.265 -1.049 11.112 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.434 -1.044 12.454 1.00 53.13 H new ATOM 932 N PRO A 56 -6.031 1.265 9.794 1.00 2.53 N ATOM 933 CA PRO A 56 -4.967 1.966 9.083 1.00 62.14 C ATOM 934 C PRO A 56 -3.919 0.991 8.558 1.00 22.43 C ATOM 935 O PRO A 56 -3.492 0.078 9.276 1.00 73.34 O ATOM 936 CB PRO A 56 -4.347 2.865 10.150 1.00 52.13 C ATOM 937 CG PRO A 56 -5.420 3.073 11.150 1.00 3.21 C ATOM 938 CD PRO A 56 -6.243 1.823 11.148 1.00 22.03 C ATOM 0 HA PRO A 56 -5.342 2.512 8.217 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.473 2.396 10.601 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.016 3.812 9.724 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -5.000 3.260 12.138 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -6.029 3.940 10.893 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.918 1.128 11.923 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -7.296 2.037 11.333 1.00 22.03 H new ATOM 946 N LEU A 57 -3.505 1.204 7.326 1.00 62.42 N ATOM 947 CA LEU A 57 -2.539 0.345 6.641 1.00 13.13 C ATOM 948 C LEU A 57 -1.252 0.190 7.430 1.00 71.12 C ATOM 949 O LEU A 57 -0.712 -0.906 7.510 1.00 53.41 O ATOM 950 CB LEU A 57 -2.211 0.856 5.232 1.00 34.12 C ATOM 951 CG LEU A 57 -3.309 0.773 4.156 1.00 42.20 C ATOM 952 CD1 LEU A 57 -4.481 1.697 4.442 1.00 35.04 C ATOM 953 CD2 LEU A 57 -2.712 1.083 2.815 1.00 13.21 C ATOM 0 H LEU A 57 -3.829 1.987 6.758 1.00 62.42 H new ATOM 0 HA LEU A 57 -3.018 -0.631 6.558 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.907 1.899 5.318 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -1.346 0.301 4.869 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.706 -0.242 4.164 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -5.225 1.597 3.651 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -4.930 1.430 5.398 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -4.130 2.728 4.482 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -3.486 1.025 2.050 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.289 2.088 2.828 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -1.926 0.362 2.591 1.00 13.21 H new ATOM 964 N GLU A 58 -0.782 1.285 8.025 1.00 41.15 N ATOM 965 CA GLU A 58 0.449 1.272 8.847 1.00 25.13 C ATOM 966 C GLU A 58 0.338 0.304 10.019 1.00 23.31 C ATOM 967 O GLU A 58 1.320 -0.300 10.431 1.00 41.22 O ATOM 968 CB GLU A 58 0.746 2.644 9.429 1.00 25.40 C ATOM 969 CG GLU A 58 0.854 3.761 8.436 1.00 63.30 C ATOM 970 CD GLU A 58 1.308 5.034 9.085 1.00 34.03 C ATOM 971 OE1 GLU A 58 0.527 5.645 9.837 1.00 71.30 O ATOM 972 OE2 GLU A 58 2.463 5.428 8.868 1.00 53.22 O ATOM 0 H GLU A 58 -1.229 2.199 7.959 1.00 41.15 H new ATOM 0 HA GLU A 58 1.248 0.960 8.174 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.038 2.893 10.144 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.680 2.587 9.987 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.555 3.483 7.649 1.00 63.30 H new ATOM 0 HG3 GLU A 58 -0.113 3.920 7.959 1.00 63.30 H new ATOM 979 N ASP A 59 -0.844 0.196 10.575 1.00 34.01 N ATOM 980 CA ASP A 59 -1.068 -0.677 11.716 1.00 63.41 C ATOM 981 C ASP A 59 -1.018 -2.137 11.281 1.00 42.14 C ATOM 982 O ASP A 59 -0.496 -3.007 11.995 1.00 72.41 O ATOM 983 CB ASP A 59 -2.396 -0.338 12.406 1.00 22.41 C ATOM 984 CG ASP A 59 -2.645 -1.165 13.646 1.00 52.54 C ATOM 985 OD1 ASP A 59 -1.849 -1.075 14.611 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.654 -1.876 13.711 1.00 14.52 O ATOM 0 H ASP A 59 -1.672 0.701 10.259 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.272 -0.517 12.444 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.401 0.719 12.674 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.214 -0.492 11.703 1.00 22.41 H new ATOM 991 N ILE A 60 -1.543 -2.380 10.092 1.00 25.13 N ATOM 992 CA ILE A 60 -1.588 -3.708 9.515 1.00 73.13 C ATOM 993 C ILE A 60 -0.193 -4.150 9.063 1.00 51.12 C ATOM 994 O ILE A 60 0.325 -5.181 9.498 1.00 44.15 O ATOM 995 CB ILE A 60 -2.587 -3.805 8.339 1.00 50.03 C ATOM 996 CG1 ILE A 60 -3.951 -3.252 8.764 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.727 -5.262 7.907 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.001 -3.286 7.682 1.00 50.54 C ATOM 0 H ILE A 60 -1.951 -1.657 9.499 1.00 25.13 H new ATOM 0 HA ILE A 60 -1.940 -4.381 10.297 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.214 -3.216 7.501 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.310 -3.823 9.620 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.824 -2.222 9.098 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.431 -5.330 7.078 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.756 -5.642 7.590 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.094 -5.856 8.744 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.935 -2.877 8.068 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.667 -2.690 6.832 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.161 -4.316 7.363 1.00 50.54 H new ATOM 1010 N PHE A 61 0.413 -3.364 8.198 1.00 35.15 N ATOM 1011 CA PHE A 61 1.720 -3.685 7.681 1.00 22.52 C ATOM 1012 C PHE A 61 2.726 -2.651 8.129 1.00 61.31 C ATOM 1013 O PHE A 61 2.447 -1.455 8.123 1.00 64.35 O ATOM 1014 CB PHE A 61 1.705 -3.749 6.130 1.00 0.12 C ATOM 1015 CG PHE A 61 0.857 -4.848 5.554 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.358 -6.132 5.430 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.435 -4.595 5.126 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.587 -7.142 4.891 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.211 -5.603 4.588 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.700 -6.878 4.471 1.00 22.32 C ATOM 0 H PHE A 61 0.017 -2.495 7.839 1.00 35.15 H new ATOM 0 HA PHE A 61 2.003 -4.663 8.070 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.349 -2.794 5.744 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.728 -3.874 5.775 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.364 -6.346 5.759 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.841 -3.598 5.214 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.991 -8.139 4.798 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.218 -5.392 4.259 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.306 -7.668 4.052 1.00 22.32 H new ATOM 1030 N GLN A 62 3.891 -3.104 8.472 1.00 72.24 N ATOM 1031 CA GLN A 62 4.953 -2.236 8.857 1.00 2.15 C ATOM 1032 C GLN A 62 6.067 -2.386 7.857 1.00 41.21 C ATOM 1033 O GLN A 62 6.528 -3.504 7.578 1.00 54.12 O ATOM 1034 CB GLN A 62 5.424 -2.539 10.286 1.00 43.12 C ATOM 1035 CG GLN A 62 6.515 -1.605 10.780 1.00 54.21 C ATOM 1036 CD GLN A 62 6.864 -1.807 12.239 1.00 62.30 C ATOM 1037 OE1 GLN A 62 6.761 -2.912 12.783 1.00 51.34 O ATOM 1038 NE2 GLN A 62 7.261 -0.744 12.890 1.00 41.41 N ATOM 0 H GLN A 62 4.131 -4.095 8.492 1.00 72.24 H new ATOM 0 HA GLN A 62 4.609 -1.202 8.861 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.571 -2.476 10.961 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.789 -3.565 10.329 1.00 43.12 H new ATOM 0 HG2 GLN A 62 7.410 -1.753 10.176 1.00 54.21 H new ATOM 0 HG3 GLN A 62 6.196 -0.574 10.630 1.00 54.21 H new ATOM 0 HE21 GLN A 62 7.334 0.152 12.408 1.00 41.41 H new ATOM 0 HE22 GLN A 62 7.498 -0.811 13.880 1.00 41.41 H new ATOM 1047 N TRP A 63 6.473 -1.297 7.303 1.00 13.44 N ATOM 1048 CA TRP A 63 7.466 -1.292 6.277 1.00 61.35 C ATOM 1049 C TRP A 63 8.765 -0.714 6.749 1.00 61.52 C ATOM 1050 O TRP A 63 8.799 0.348 7.370 1.00 24.43 O ATOM 1051 CB TRP A 63 6.954 -0.565 5.039 1.00 14.01 C ATOM 1052 CG TRP A 63 6.303 0.780 5.305 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.911 2.000 5.424 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.898 1.019 5.454 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.965 2.972 5.653 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.725 2.395 5.665 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.770 0.194 5.429 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.470 2.965 5.846 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.528 0.760 5.606 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.385 2.130 5.810 1.00 31.53 C ATOM 0 H TRP A 63 6.123 -0.371 7.550 1.00 13.44 H new ATOM 0 HA TRP A 63 7.664 -2.330 6.010 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.788 -0.418 4.352 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.233 -1.206 4.532 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.974 2.174 5.349 1.00 3.21 H new ATOM 0 HE1 TRP A 63 6.157 3.964 5.792 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.871 -0.870 5.273 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 3.355 4.026 6.009 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.650 0.131 5.586 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.396 2.543 5.943 1.00 31.53 H new ATOM 1071 N GLN A 64 9.823 -1.423 6.478 1.00 35.50 N ATOM 1072 CA GLN A 64 11.147 -0.993 6.833 1.00 11.44 C ATOM 1073 C GLN A 64 12.002 -0.879 5.557 1.00 30.22 C ATOM 1074 O GLN A 64 12.573 -1.878 5.109 1.00 33.31 O ATOM 1075 CB GLN A 64 11.793 -2.018 7.781 1.00 44.22 C ATOM 1076 CG GLN A 64 11.020 -2.298 9.066 1.00 32.13 C ATOM 1077 CD GLN A 64 11.042 -1.148 10.052 1.00 24.43 C ATOM 1078 OE1 GLN A 64 10.186 -0.264 10.036 1.00 13.50 O ATOM 1079 NE2 GLN A 64 12.010 -1.158 10.922 1.00 53.21 N ATOM 0 H GLN A 64 9.792 -2.324 6.000 1.00 35.50 H new ATOM 0 HA GLN A 64 11.089 -0.025 7.332 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.920 -2.957 7.242 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.790 -1.665 8.046 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.985 -2.529 8.814 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.437 -3.184 9.545 1.00 32.13 H new ATOM 0 HE21 GLN A 64 12.702 -1.907 10.906 1.00 53.21 H new ATOM 0 HE22 GLN A 64 12.076 -0.417 11.620 1.00 53.21 H new ATOM 1088 N PRO A 65 12.003 0.291 4.882 1.00 63.05 N ATOM 1089 CA PRO A 65 12.868 0.529 3.716 1.00 13.14 C ATOM 1090 C PRO A 65 14.316 0.788 4.163 1.00 44.11 C ATOM 1091 O PRO A 65 15.285 0.536 3.423 1.00 4.41 O ATOM 1092 CB PRO A 65 12.269 1.797 3.071 1.00 11.15 C ATOM 1093 CG PRO A 65 10.969 2.029 3.782 1.00 34.32 C ATOM 1094 CD PRO A 65 11.136 1.442 5.148 1.00 62.43 C ATOM 0 HA PRO A 65 12.903 -0.320 3.034 1.00 13.14 H new ATOM 0 HB2 PRO A 65 12.938 2.650 3.187 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.112 1.657 2.001 1.00 11.15 H new ATOM 0 HG2 PRO A 65 10.740 3.093 3.840 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.144 1.554 3.251 1.00 34.32 H new ATOM 0 HD2 PRO A 65 11.595 2.147 5.841 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.182 1.142 5.583 1.00 62.43 H new ATOM 1102 N GLU A 66 14.429 1.277 5.368 1.00 22.55 N ATOM 1103 CA GLU A 66 15.681 1.558 6.012 1.00 60.44 C ATOM 1104 C GLU A 66 16.004 0.420 6.954 1.00 3.22 C ATOM 1105 O GLU A 66 16.845 -0.429 6.605 1.00 11.44 O ATOM 1106 CB GLU A 66 15.613 2.886 6.777 1.00 14.51 C ATOM 1107 CG GLU A 66 15.510 4.122 5.897 1.00 33.32 C ATOM 1108 CD GLU A 66 16.747 4.335 5.070 1.00 75.24 C ATOM 1109 OE1 GLU A 66 17.836 4.474 5.651 1.00 31.01 O ATOM 1110 OE2 GLU A 66 16.663 4.389 3.825 1.00 24.43 O ATOM 1111 OXT GLU A 66 15.366 0.321 8.015 1.00 0.00 O ATOM 0 H GLU A 66 13.620 1.499 5.949 1.00 22.55 H new ATOM 0 HA GLU A 66 16.465 1.650 5.261 1.00 60.44 H new ATOM 0 HB2 GLU A 66 14.753 2.860 7.446 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.501 2.975 7.403 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.647 4.026 5.238 1.00 33.32 H new ATOM 0 HG3 GLU A 66 15.338 4.998 6.522 1.00 33.32 H new ATOM 1119 N MET B 67 -10.458 1.477 -8.770 1.00 4.52 N ATOM 1120 CA MET B 67 -9.913 2.674 -9.401 1.00 15.43 C ATOM 1121 C MET B 67 -8.793 3.235 -8.556 1.00 54.41 C ATOM 1122 O MET B 67 -8.932 3.374 -7.338 1.00 33.23 O ATOM 1123 CB MET B 67 -11.002 3.732 -9.573 1.00 32.24 C ATOM 1124 CG MET B 67 -12.112 3.336 -10.524 1.00 0.23 C ATOM 1125 SD MET B 67 -11.501 3.031 -12.185 1.00 54.32 S ATOM 1126 CE MET B 67 -13.030 2.688 -13.049 1.00 74.51 C ATOM 0 HA MET B 67 -9.527 2.402 -10.384 1.00 15.43 H new ATOM 0 HB2 MET B 67 -11.436 3.951 -8.598 1.00 32.24 H new ATOM 0 HB3 MET B 67 -10.543 4.653 -9.932 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.607 2.440 -10.150 1.00 0.23 H new ATOM 0 HG3 MET B 67 -12.863 4.126 -10.554 1.00 0.23 H new ATOM 0 HE1 MET B 67 -12.817 2.478 -14.097 1.00 74.51 H new ATOM 0 HE2 MET B 67 -13.517 1.823 -12.598 1.00 74.51 H new ATOM 0 HE3 MET B 67 -13.689 3.553 -12.979 1.00 74.51 H new ATOM 1138 N ILE B 68 -7.687 3.548 -9.181 1.00 22.43 N ATOM 1139 CA ILE B 68 -6.542 4.093 -8.484 1.00 32.41 C ATOM 1140 C ILE B 68 -6.254 5.498 -9.006 1.00 45.13 C ATOM 1141 O ILE B 68 -6.231 5.733 -10.218 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.274 3.182 -8.651 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -5.521 1.775 -8.061 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.027 3.818 -8.019 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -5.844 1.760 -6.572 1.00 54.01 C ATOM 0 H ILE B 68 -7.551 3.434 -10.185 1.00 22.43 H new ATOM 0 HA ILE B 68 -6.776 4.134 -7.420 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.089 3.082 -9.721 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.343 1.307 -8.603 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -4.636 1.162 -8.234 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.172 3.156 -8.156 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -3.825 4.776 -8.498 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.198 3.974 -6.954 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.002 0.733 -6.244 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.014 2.195 -6.015 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -6.747 2.342 -6.390 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.079 6.418 -8.099 1.00 31.31 N ATOM 1158 CA ILE B 69 -5.781 7.790 -8.412 1.00 25.12 C ATOM 1159 C ILE B 69 -4.482 8.110 -7.698 1.00 13.31 C ATOM 1160 O ILE B 69 -4.340 7.810 -6.518 1.00 33.20 O ATOM 1161 CB ILE B 69 -6.901 8.798 -7.926 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -8.282 8.551 -8.600 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -6.474 10.246 -8.150 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.053 7.335 -8.112 1.00 2.41 C ATOM 0 H ILE B 69 -6.141 6.232 -7.098 1.00 31.31 H new ATOM 0 HA ILE B 69 -5.718 7.905 -9.494 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.021 8.613 -6.859 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -8.902 9.435 -8.448 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -8.127 8.451 -9.674 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -7.263 10.915 -7.807 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -5.560 10.446 -7.591 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -6.294 10.412 -9.212 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -9.998 7.263 -8.651 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -8.464 6.435 -8.290 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.251 7.434 -7.045 1.00 2.41 H new ATOM 1176 N ASN B 70 -3.533 8.658 -8.368 1.00 20.22 N ATOM 1177 CA ASN B 70 -2.283 8.915 -7.717 1.00 24.23 C ATOM 1178 C ASN B 70 -1.995 10.374 -7.761 1.00 32.00 C ATOM 1179 O ASN B 70 -2.007 10.978 -8.824 1.00 60.31 O ATOM 1180 CB ASN B 70 -1.140 8.126 -8.348 1.00 41.35 C ATOM 1181 CG ASN B 70 0.180 8.306 -7.603 1.00 44.33 C ATOM 1182 OD1 ASN B 70 1.219 8.296 -8.185 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.139 8.447 -6.296 1.00 33.01 N ATOM 0 H ASN B 70 -3.587 8.936 -9.348 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.364 8.587 -6.681 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -1.401 7.068 -8.367 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -1.014 8.442 -9.384 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.005 8.550 -5.767 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.759 8.454 -5.812 1.00 33.01 H new ATOM 1190 N ASN B 71 -1.708 10.951 -6.623 1.00 65.43 N ATOM 1191 CA ASN B 71 -1.469 12.367 -6.552 1.00 54.20 C ATOM 1192 C ASN B 71 -0.016 12.606 -6.253 1.00 74.31 C ATOM 1193 O ASN B 71 0.328 13.642 -5.758 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.325 13.051 -5.460 1.00 72.22 C ATOM 1195 CG ASN B 71 -3.835 12.964 -5.669 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.331 12.847 -6.792 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.568 13.095 -4.607 1.00 62.53 N ATOM 0 H ASN B 71 -1.634 10.460 -5.732 1.00 65.43 H new ATOM 0 HA ASN B 71 -1.747 12.798 -7.514 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.081 12.604 -4.496 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.042 14.102 -5.404 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.585 13.103 -4.687 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.128 13.190 -3.692 1.00 62.53 H new ATOM 1204 N LEU B 72 0.843 11.643 -6.627 1.00 31.42 N ATOM 1205 CA LEU B 72 2.298 11.708 -6.347 1.00 41.12 C ATOM 1206 C LEU B 72 2.876 13.019 -6.863 1.00 32.41 C ATOM 1207 O LEU B 72 3.641 13.677 -6.173 1.00 15.34 O ATOM 1208 CB LEU B 72 3.035 10.475 -6.955 1.00 22.14 C ATOM 1209 CG LEU B 72 4.535 10.224 -6.583 1.00 2.34 C ATOM 1210 CD1 LEU B 72 5.494 11.190 -7.265 1.00 11.20 C ATOM 1211 CD2 LEU B 72 4.730 10.278 -5.081 1.00 33.32 C ATOM 0 H LEU B 72 0.557 10.802 -7.128 1.00 31.42 H new ATOM 0 HA LEU B 72 2.450 11.677 -5.268 1.00 41.12 H new ATOM 0 HB2 LEU B 72 2.473 9.585 -6.673 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.975 10.559 -8.040 1.00 22.14 H new ATOM 0 HG LEU B 72 4.775 9.226 -6.950 1.00 2.34 H new ATOM 0 HD11 LEU B 72 6.516 10.961 -6.964 1.00 11.20 H new ATOM 0 HD12 LEU B 72 5.403 11.090 -8.347 1.00 11.20 H new ATOM 0 HD13 LEU B 72 5.250 12.212 -6.973 1.00 11.20 H new ATOM 0 HD21 LEU B 72 5.779 10.101 -4.844 1.00 33.32 H new ATOM 0 HD22 LEU B 72 4.435 11.260 -4.711 1.00 33.32 H new ATOM 0 HD23 LEU B 72 4.117 9.512 -4.607 1.00 33.32 H new ATOM 1223 N LYS B 73 2.454 13.418 -8.048 1.00 14.34 N ATOM 1224 CA LYS B 73 2.916 14.660 -8.631 1.00 42.10 C ATOM 1225 C LYS B 73 2.458 15.874 -7.806 1.00 53.11 C ATOM 1226 O LYS B 73 3.232 16.801 -7.572 1.00 74.22 O ATOM 1227 CB LYS B 73 2.506 14.771 -10.107 1.00 5.41 C ATOM 1228 CG LYS B 73 1.036 14.548 -10.412 1.00 35.52 C ATOM 1229 CD LYS B 73 0.776 14.756 -11.891 1.00 25.45 C ATOM 1230 CE LYS B 73 -0.660 14.457 -12.262 1.00 12.21 C ATOM 1231 NZ LYS B 73 -0.916 14.735 -13.687 1.00 61.12 N ATOM 0 H LYS B 73 1.792 12.899 -8.625 1.00 14.34 H new ATOM 0 HA LYS B 73 4.006 14.655 -8.604 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.784 15.762 -10.466 1.00 5.41 H new ATOM 0 HB3 LYS B 73 3.088 14.049 -10.680 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.745 13.539 -10.122 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.426 15.236 -9.827 1.00 35.52 H new ATOM 0 HD2 LYS B 73 1.013 15.786 -12.159 1.00 25.45 H new ATOM 0 HD3 LYS B 73 1.441 14.115 -12.470 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -0.883 13.412 -12.048 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -1.329 15.058 -11.646 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -1.909 14.520 -13.910 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -0.726 15.738 -13.885 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -0.294 14.143 -14.273 1.00 61.12 H new ATOM 1245 N LEU B 74 1.213 15.845 -7.359 1.00 3.54 N ATOM 1246 CA LEU B 74 0.645 16.875 -6.487 1.00 24.22 C ATOM 1247 C LEU B 74 1.366 16.860 -5.121 1.00 33.32 C ATOM 1248 O LEU B 74 1.633 17.909 -4.544 1.00 35.35 O ATOM 1249 CB LEU B 74 -0.898 16.627 -6.368 1.00 15.15 C ATOM 1250 CG LEU B 74 -1.781 17.611 -5.547 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.625 17.427 -4.046 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -1.499 19.050 -5.940 1.00 34.11 C ATOM 0 H LEU B 74 0.556 15.100 -7.591 1.00 3.54 H new ATOM 0 HA LEU B 74 0.793 17.871 -6.904 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.301 16.597 -7.380 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.035 15.634 -5.940 1.00 15.15 H new ATOM 0 HG LEU B 74 -2.817 17.375 -5.790 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.264 18.139 -3.524 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.913 16.412 -3.772 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -0.586 17.597 -3.765 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.129 19.718 -5.352 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -0.450 19.280 -5.751 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -1.715 19.187 -7.000 1.00 34.11 H new ATOM 1264 N ILE B 75 1.679 15.668 -4.631 1.00 72.34 N ATOM 1265 CA ILE B 75 2.440 15.490 -3.388 1.00 55.53 C ATOM 1266 C ILE B 75 3.797 16.168 -3.522 1.00 3.21 C ATOM 1267 O ILE B 75 4.292 16.797 -2.586 1.00 40.20 O ATOM 1268 CB ILE B 75 2.626 13.983 -3.014 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.267 13.294 -2.840 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.470 13.817 -1.748 1.00 15.31 C ATOM 1271 CD1 ILE B 75 0.367 13.938 -1.807 1.00 1.24 C ATOM 0 H ILE B 75 1.415 14.791 -5.081 1.00 72.34 H new ATOM 0 HA ILE B 75 1.870 15.951 -2.581 1.00 55.53 H new ATOM 0 HB ILE B 75 3.158 13.507 -3.837 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.751 13.288 -3.800 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.434 12.254 -2.561 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.578 12.757 -1.519 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.455 14.256 -1.907 1.00 15.31 H new ATOM 0 HG23 ILE B 75 2.979 14.320 -0.915 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -0.572 13.388 -1.749 1.00 1.24 H new ATOM 0 HD12 ILE B 75 0.859 13.920 -0.834 1.00 1.24 H new ATOM 0 HD13 ILE B 75 0.165 14.970 -2.093 1.00 1.24 H new ATOM 1283 N ARG B 76 4.369 16.074 -4.711 1.00 23.44 N ATOM 1284 CA ARG B 76 5.632 16.710 -4.985 1.00 2.23 C ATOM 1285 C ARG B 76 5.496 18.220 -4.907 1.00 61.23 C ATOM 1286 O ARG B 76 6.463 18.901 -4.605 1.00 0.10 O ATOM 1287 CB ARG B 76 6.208 16.346 -6.341 1.00 24.15 C ATOM 1288 CG ARG B 76 6.522 14.885 -6.562 1.00 71.12 C ATOM 1289 CD ARG B 76 7.470 14.713 -7.746 1.00 32.20 C ATOM 1290 NE ARG B 76 6.971 15.302 -9.006 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.373 16.476 -9.532 1.00 4.20 C ATOM 1292 NH1 ARG B 76 8.129 17.312 -8.817 1.00 64.25 N ATOM 1293 NH2 ARG B 76 6.975 16.830 -10.737 1.00 51.23 N ATOM 0 H ARG B 76 3.972 15.561 -5.498 1.00 23.44 H new ATOM 0 HA ARG B 76 6.319 16.343 -4.222 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.504 16.665 -7.109 1.00 24.15 H new ATOM 0 HB3 ARG B 76 7.123 16.919 -6.490 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.974 14.464 -5.663 1.00 71.12 H new ATOM 0 HG3 ARG B 76 5.600 14.333 -6.744 1.00 71.12 H new ATOM 0 HD2 ARG B 76 8.429 15.168 -7.499 1.00 32.20 H new ATOM 0 HD3 ARG B 76 7.652 13.650 -7.901 1.00 32.20 H new ATOM 0 HE ARG B 76 6.264 14.777 -9.520 1.00 64.13 H new ATOM 0 HH11 ARG B 76 8.406 17.064 -7.867 1.00 64.25 H new ATOM 0 HH12 ARG B 76 8.430 18.199 -9.221 1.00 64.25 H new ATOM 0 HH21 ARG B 76 6.362 16.215 -11.273 1.00 51.23 H new ATOM 0 HH22 ARG B 76 7.280 17.719 -11.134 1.00 51.23 H new ATOM 1307 N GLU B 77 4.333 18.743 -5.296 1.00 3.43 N ATOM 1308 CA GLU B 77 4.024 20.162 -5.177 1.00 32.25 C ATOM 1309 C GLU B 77 3.796 20.570 -3.707 1.00 23.22 C ATOM 1310 O GLU B 77 4.055 21.714 -3.325 1.00 24.24 O ATOM 1311 CB GLU B 77 2.828 20.524 -6.053 1.00 73.21 C ATOM 1312 CG GLU B 77 3.013 20.093 -7.496 1.00 31.54 C ATOM 1313 CD GLU B 77 1.897 20.526 -8.402 1.00 75.21 C ATOM 1314 OE1 GLU B 77 0.776 19.984 -8.303 1.00 73.43 O ATOM 1315 OE2 GLU B 77 2.127 21.396 -9.243 1.00 52.20 O ATOM 0 H GLU B 77 3.579 18.190 -5.703 1.00 3.43 H new ATOM 0 HA GLU B 77 4.885 20.727 -5.533 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.931 20.055 -5.649 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.668 21.602 -6.017 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.952 20.501 -7.870 1.00 31.54 H new ATOM 0 HG3 GLU B 77 3.099 19.007 -7.534 1.00 31.54 H new ATOM 1322 N LYS B 78 3.188 19.666 -2.918 1.00 12.34 N ATOM 1323 CA LYS B 78 3.051 19.871 -1.458 1.00 0.30 C ATOM 1324 C LYS B 78 4.425 19.980 -0.791 1.00 41.03 C ATOM 1325 O LYS B 78 4.628 20.788 0.127 1.00 70.21 O ATOM 1326 CB LYS B 78 2.221 18.754 -0.817 1.00 31.15 C ATOM 1327 CG LYS B 78 0.798 18.676 -1.354 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.009 17.553 -0.713 1.00 63.03 C ATOM 1329 CE LYS B 78 -0.192 17.756 0.782 1.00 13.30 C ATOM 1330 NZ LYS B 78 -1.074 16.731 1.367 1.00 22.43 N ATOM 0 H LYS B 78 2.786 18.793 -3.259 1.00 12.34 H new ATOM 0 HA LYS B 78 2.522 20.811 -1.302 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.718 17.799 -0.986 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.187 18.909 0.261 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.294 19.627 -1.178 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.828 18.526 -2.433 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.986 17.492 -1.192 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.492 16.601 -0.890 1.00 63.03 H new ATOM 0 HE2 LYS B 78 0.780 17.725 1.275 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -0.611 18.745 0.966 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -1.394 17.043 2.306 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.899 16.589 0.750 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -0.553 15.836 1.459 1.00 22.43 H new ATOM 1344 N LYS B 79 5.358 19.189 -1.266 1.00 11.23 N ATOM 1345 CA LYS B 79 6.765 19.302 -0.872 1.00 71.54 C ATOM 1346 C LYS B 79 7.355 20.213 -1.942 1.00 62.41 C ATOM 1347 O LYS B 79 6.603 20.885 -2.628 1.00 22.21 O ATOM 1348 CB LYS B 79 7.456 17.921 -0.991 1.00 24.24 C ATOM 1349 CG LYS B 79 6.673 16.726 -0.440 1.00 24.13 C ATOM 1350 CD LYS B 79 6.390 16.825 1.043 1.00 4.22 C ATOM 1351 CE LYS B 79 5.602 15.611 1.516 1.00 44.25 C ATOM 1352 NZ LYS B 79 5.332 15.646 2.965 1.00 54.41 N ATOM 0 H LYS B 79 5.175 18.444 -1.938 1.00 11.23 H new ATOM 0 HA LYS B 79 6.889 19.664 0.149 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.671 17.735 -2.043 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.414 17.971 -0.474 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.729 16.641 -0.978 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.234 15.812 -0.635 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.328 16.895 1.595 1.00 4.22 H new ATOM 0 HD3 LYS B 79 5.828 17.735 1.252 1.00 4.22 H new ATOM 0 HE2 LYS B 79 4.657 15.561 0.974 1.00 44.25 H new ATOM 0 HE3 LYS B 79 6.157 14.704 1.274 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 5.027 14.704 3.284 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 6.197 15.920 3.473 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 4.581 16.338 3.162 1.00 54.41 H new ATOM 1366 N LYS B 80 8.631 20.327 -2.095 1.00 71.43 N ATOM 1367 CA LYS B 80 9.128 20.904 -3.316 1.00 32.42 C ATOM 1368 C LYS B 80 10.284 20.061 -3.788 1.00 13.24 C ATOM 1369 O LYS B 80 11.457 20.432 -3.712 1.00 5.54 O ATOM 1370 CB LYS B 80 9.453 22.418 -3.219 1.00 73.24 C ATOM 1371 CG LYS B 80 10.393 22.837 -2.096 1.00 40.21 C ATOM 1372 CD LYS B 80 10.643 24.330 -2.161 1.00 43.22 C ATOM 1373 CE LYS B 80 11.544 24.811 -1.040 1.00 70.42 C ATOM 1374 NZ LYS B 80 11.763 26.271 -1.119 1.00 23.43 N ATOM 0 H LYS B 80 9.338 20.041 -1.418 1.00 71.43 H new ATOM 0 HA LYS B 80 8.337 20.885 -4.065 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.889 22.735 -4.166 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.516 22.962 -3.101 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.960 22.574 -1.131 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.337 22.298 -2.180 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.096 24.579 -3.121 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.691 24.858 -2.111 1.00 43.22 H new ATOM 0 HE2 LYS B 80 11.098 24.559 -0.078 1.00 70.42 H new ATOM 0 HE3 LYS B 80 12.502 24.294 -1.092 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 12.383 26.572 -0.340 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 12.210 26.506 -2.028 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 10.850 26.764 -1.045 1.00 23.43 H new ATOM 1388 N ILE B 81 9.934 18.854 -4.147 1.00 13.13 N ATOM 1389 CA ILE B 81 10.877 17.853 -4.559 1.00 43.54 C ATOM 1390 C ILE B 81 10.459 17.350 -5.931 1.00 51.30 C ATOM 1391 O ILE B 81 9.260 17.233 -6.222 1.00 65.41 O ATOM 1392 CB ILE B 81 10.873 16.649 -3.552 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.056 17.144 -2.107 1.00 24.32 C ATOM 1394 CG2 ILE B 81 11.974 15.655 -3.900 1.00 62.43 C ATOM 1395 CD1 ILE B 81 10.969 16.051 -1.055 1.00 1.24 C ATOM 0 H ILE B 81 8.965 18.535 -4.161 1.00 13.13 H new ATOM 0 HA ILE B 81 11.878 18.282 -4.587 1.00 43.54 H new ATOM 0 HB ILE B 81 9.907 16.150 -3.631 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.025 17.635 -2.024 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.297 17.897 -1.895 1.00 24.32 H new ATOM 0 HG21 ILE B 81 11.955 14.828 -3.191 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.814 15.272 -4.908 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.942 16.153 -3.851 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.109 16.486 -0.066 1.00 1.24 H new ATOM 0 HD12 ILE B 81 9.990 15.574 -1.106 1.00 1.24 H new ATOM 0 HD13 ILE B 81 11.745 15.308 -1.237 1.00 1.24 H new ATOM 1407 N SER B 82 11.403 17.081 -6.773 1.00 2.42 N ATOM 1408 CA SER B 82 11.102 16.572 -8.064 1.00 41.31 C ATOM 1409 C SER B 82 11.189 15.037 -8.048 1.00 13.21 C ATOM 1410 O SER B 82 11.694 14.447 -7.081 1.00 35.13 O ATOM 1411 CB SER B 82 12.012 17.200 -9.085 1.00 43.33 C ATOM 1412 OG SER B 82 11.940 18.625 -9.025 1.00 71.34 O ATOM 0 H SER B 82 12.397 17.208 -6.584 1.00 2.42 H new ATOM 0 HA SER B 82 10.082 16.832 -8.346 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.038 16.876 -8.911 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.735 16.860 -10.083 1.00 43.33 H new ATOM 0 HG SER B 82 12.541 19.011 -9.696 1.00 71.34 H new ATOM 1418 N GLN B 83 10.685 14.397 -9.090 1.00 45.12 N ATOM 1419 CA GLN B 83 10.579 12.944 -9.097 1.00 65.34 C ATOM 1420 C GLN B 83 11.923 12.230 -9.088 1.00 13.44 C ATOM 1421 O GLN B 83 12.041 11.179 -8.506 1.00 12.11 O ATOM 1422 CB GLN B 83 9.618 12.366 -10.166 1.00 30.22 C ATOM 1423 CG GLN B 83 10.024 12.535 -11.621 1.00 4.43 C ATOM 1424 CD GLN B 83 10.016 13.963 -12.077 1.00 53.31 C ATOM 1425 OE1 GLN B 83 11.030 14.657 -12.002 1.00 72.33 O ATOM 1426 NE2 GLN B 83 8.883 14.421 -12.494 1.00 45.23 N ATOM 0 H GLN B 83 10.345 14.854 -9.936 1.00 45.12 H new ATOM 0 HA GLN B 83 10.106 12.725 -8.140 1.00 65.34 H new ATOM 0 HB2 GLN B 83 9.494 11.301 -9.970 1.00 30.22 H new ATOM 0 HB3 GLN B 83 8.641 12.831 -10.030 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.022 12.121 -11.763 1.00 4.43 H new ATOM 0 HG3 GLN B 83 9.347 11.956 -12.249 1.00 4.43 H new ATOM 0 HE21 GLN B 83 8.070 13.807 -12.539 1.00 45.23 H new ATOM 0 HE22 GLN B 83 8.801 15.397 -12.779 1.00 45.23 H new ATOM 1435 N SER B 84 12.939 12.816 -9.699 1.00 55.44 N ATOM 1436 CA SER B 84 14.244 12.168 -9.794 1.00 52.11 C ATOM 1437 C SER B 84 14.900 12.062 -8.412 1.00 62.21 C ATOM 1438 O SER B 84 15.532 11.046 -8.077 1.00 10.02 O ATOM 1439 CB SER B 84 15.107 12.956 -10.740 1.00 45.03 C ATOM 1440 OG SER B 84 14.349 13.281 -11.911 1.00 21.34 O ATOM 0 H SER B 84 12.890 13.736 -10.136 1.00 55.44 H new ATOM 0 HA SER B 84 14.122 11.154 -10.174 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.459 13.867 -10.256 1.00 45.03 H new ATOM 0 HB3 SER B 84 15.990 12.378 -11.013 1.00 45.03 H new ATOM 0 HG SER B 84 14.767 14.038 -12.372 1.00 21.34 H new ATOM 1446 N GLU B 85 14.709 13.100 -7.618 1.00 50.43 N ATOM 1447 CA GLU B 85 15.184 13.164 -6.252 1.00 3.23 C ATOM 1448 C GLU B 85 14.522 12.052 -5.444 1.00 41.23 C ATOM 1449 O GLU B 85 15.179 11.342 -4.670 1.00 11.14 O ATOM 1450 CB GLU B 85 14.834 14.535 -5.642 1.00 33.34 C ATOM 1451 CG GLU B 85 15.610 15.751 -6.185 1.00 42.23 C ATOM 1452 CD GLU B 85 15.612 15.895 -7.697 1.00 44.10 C ATOM 1453 OE1 GLU B 85 14.545 15.767 -8.335 1.00 64.25 O ATOM 1454 OE2 GLU B 85 16.691 16.140 -8.270 1.00 70.32 O ATOM 0 H GLU B 85 14.209 13.938 -7.913 1.00 50.43 H new ATOM 0 HA GLU B 85 16.266 13.036 -6.232 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.770 14.714 -5.795 1.00 33.34 H new ATOM 0 HB3 GLU B 85 14.996 14.480 -4.566 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.186 16.656 -5.751 1.00 42.23 H new ATOM 0 HG3 GLU B 85 16.642 15.686 -5.841 1.00 42.23 H new ATOM 1461 N LEU B 86 13.226 11.887 -5.665 1.00 73.22 N ATOM 1462 CA LEU B 86 12.453 10.842 -5.018 1.00 10.22 C ATOM 1463 C LEU B 86 12.876 9.475 -5.520 1.00 65.33 C ATOM 1464 O LEU B 86 13.016 8.554 -4.742 1.00 30.50 O ATOM 1465 CB LEU B 86 10.952 11.040 -5.248 1.00 32.54 C ATOM 1466 CG LEU B 86 10.338 12.296 -4.635 1.00 41.02 C ATOM 1467 CD1 LEU B 86 8.858 12.373 -4.964 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.546 12.305 -3.129 1.00 23.21 C ATOM 0 H LEU B 86 12.683 12.474 -6.298 1.00 73.22 H new ATOM 0 HA LEU B 86 12.648 10.903 -3.947 1.00 10.22 H new ATOM 0 HB2 LEU B 86 10.769 11.058 -6.322 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.427 10.172 -4.850 1.00 32.54 H new ATOM 0 HG LEU B 86 10.835 13.169 -5.059 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.433 13.274 -4.521 1.00 52.52 H new ATOM 0 HD12 LEU B 86 8.727 12.404 -6.046 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.350 11.496 -4.562 1.00 52.52 H new ATOM 0 HD21 LEU B 86 10.103 13.207 -2.706 1.00 23.21 H new ATOM 0 HD22 LEU B 86 10.071 11.427 -2.691 1.00 23.21 H new ATOM 0 HD23 LEU B 86 11.613 12.288 -2.909 1.00 23.21 H new ATOM 1480 N ALA B 87 13.123 9.374 -6.820 1.00 4.44 N ATOM 1481 CA ALA B 87 13.540 8.131 -7.457 1.00 14.42 C ATOM 1482 C ALA B 87 14.816 7.624 -6.833 1.00 35.03 C ATOM 1483 O ALA B 87 14.948 6.436 -6.568 1.00 72.55 O ATOM 1484 CB ALA B 87 13.739 8.333 -8.947 1.00 1.41 C ATOM 0 H ALA B 87 13.039 10.158 -7.467 1.00 4.44 H new ATOM 0 HA ALA B 87 12.753 7.391 -7.307 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.050 7.393 -9.403 1.00 1.41 H new ATOM 0 HB2 ALA B 87 12.803 8.663 -9.398 1.00 1.41 H new ATOM 0 HB3 ALA B 87 14.507 9.088 -9.112 1.00 1.41 H new ATOM 1490 N ALA B 88 15.734 8.537 -6.564 1.00 4.14 N ATOM 1491 CA ALA B 88 16.985 8.199 -5.918 1.00 53.23 C ATOM 1492 C ALA B 88 16.730 7.631 -4.512 1.00 34.22 C ATOM 1493 O ALA B 88 17.333 6.627 -4.119 1.00 30.41 O ATOM 1494 CB ALA B 88 17.887 9.420 -5.859 1.00 24.13 C ATOM 0 H ALA B 88 15.632 9.527 -6.787 1.00 4.14 H new ATOM 0 HA ALA B 88 17.488 7.429 -6.503 1.00 53.23 H new ATOM 0 HB1 ALA B 88 18.825 9.156 -5.371 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.090 9.772 -6.871 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.394 10.210 -5.293 1.00 24.13 H new ATOM 1500 N LEU B 89 15.787 8.237 -3.795 1.00 71.12 N ATOM 1501 CA LEU B 89 15.423 7.792 -2.448 1.00 42.20 C ATOM 1502 C LEU B 89 14.755 6.432 -2.494 1.00 63.22 C ATOM 1503 O LEU B 89 15.018 5.574 -1.663 1.00 30.24 O ATOM 1504 CB LEU B 89 14.468 8.789 -1.773 1.00 60.54 C ATOM 1505 CG LEU B 89 15.040 10.153 -1.404 1.00 63.34 C ATOM 1506 CD1 LEU B 89 13.936 11.057 -0.879 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.128 9.996 -0.353 1.00 50.33 C ATOM 0 H LEU B 89 15.257 9.043 -4.125 1.00 71.12 H new ATOM 0 HA LEU B 89 16.345 7.729 -1.869 1.00 42.20 H new ATOM 0 HB2 LEU B 89 13.618 8.946 -2.437 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.082 8.326 -0.865 1.00 60.54 H new ATOM 0 HG LEU B 89 15.473 10.606 -2.296 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.355 12.029 -0.618 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.174 11.185 -1.648 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.487 10.606 0.006 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.530 10.976 -0.096 1.00 50.33 H new ATOM 0 HD22 LEU B 89 15.708 9.531 0.539 1.00 50.33 H new ATOM 0 HD23 LEU B 89 16.927 9.368 -0.747 1.00 50.33 H new ATOM 1519 N LEU B 90 13.932 6.225 -3.494 1.00 61.11 N ATOM 1520 CA LEU B 90 13.171 4.995 -3.629 1.00 33.50 C ATOM 1521 C LEU B 90 14.000 3.915 -4.302 1.00 13.04 C ATOM 1522 O LEU B 90 13.537 2.778 -4.457 1.00 54.12 O ATOM 1523 CB LEU B 90 11.929 5.252 -4.473 1.00 1.13 C ATOM 1524 CG LEU B 90 11.046 6.419 -4.048 1.00 1.25 C ATOM 1525 CD1 LEU B 90 9.897 6.582 -5.015 1.00 24.05 C ATOM 1526 CD2 LEU B 90 10.544 6.244 -2.628 1.00 43.42 C ATOM 0 H LEU B 90 13.767 6.901 -4.240 1.00 61.11 H new ATOM 0 HA LEU B 90 12.890 4.659 -2.631 1.00 33.50 H new ATOM 0 HB2 LEU B 90 12.245 5.421 -5.502 1.00 1.13 H new ATOM 0 HB3 LEU B 90 11.322 4.347 -4.471 1.00 1.13 H new ATOM 0 HG LEU B 90 11.648 7.328 -4.069 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.273 7.419 -4.701 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.287 6.775 -6.014 1.00 24.05 H new ATOM 0 HD13 LEU B 90 9.301 5.670 -5.028 1.00 24.05 H new ATOM 0 HD21 LEU B 90 9.917 7.093 -2.356 1.00 43.42 H new ATOM 0 HD22 LEU B 90 9.961 5.326 -2.559 1.00 43.42 H new ATOM 0 HD23 LEU B 90 11.393 6.187 -1.947 1.00 43.42 H new ATOM 1538 N GLU B 91 15.219 4.288 -4.710 1.00 45.33 N ATOM 1539 CA GLU B 91 16.184 3.388 -5.345 1.00 22.43 C ATOM 1540 C GLU B 91 15.656 2.905 -6.708 1.00 63.31 C ATOM 1541 O GLU B 91 16.083 1.862 -7.228 1.00 72.53 O ATOM 1542 CB GLU B 91 16.474 2.199 -4.419 1.00 34.10 C ATOM 1543 CG GLU B 91 16.938 2.595 -3.024 1.00 74.02 C ATOM 1544 CD GLU B 91 16.992 1.423 -2.083 1.00 63.23 C ATOM 1545 OE1 GLU B 91 15.933 1.012 -1.576 1.00 73.13 O ATOM 1546 OE2 GLU B 91 18.093 0.887 -1.826 1.00 54.24 O ATOM 0 H GLU B 91 15.567 5.241 -4.605 1.00 45.33 H new ATOM 0 HA GLU B 91 17.114 3.930 -5.518 1.00 22.43 H new ATOM 0 HB2 GLU B 91 15.573 1.592 -4.332 1.00 34.10 H new ATOM 0 HB3 GLU B 91 17.237 1.572 -4.879 1.00 34.10 H new ATOM 0 HG2 GLU B 91 17.926 3.051 -3.089 1.00 74.02 H new ATOM 0 HG3 GLU B 91 16.264 3.350 -2.621 1.00 74.02 H new ATOM 1553 N VAL B 92 14.795 3.702 -7.315 1.00 33.53 N ATOM 1554 CA VAL B 92 14.161 3.352 -8.580 1.00 2.41 C ATOM 1555 C VAL B 92 14.579 4.348 -9.647 1.00 32.32 C ATOM 1556 O VAL B 92 15.222 5.355 -9.344 1.00 23.34 O ATOM 1557 CB VAL B 92 12.599 3.310 -8.487 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.126 2.274 -7.476 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.015 4.684 -8.166 1.00 4.10 C ATOM 0 H VAL B 92 14.513 4.611 -6.947 1.00 33.53 H new ATOM 0 HA VAL B 92 14.494 2.347 -8.840 1.00 2.41 H new ATOM 0 HB VAL B 92 12.231 3.013 -9.469 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.037 2.273 -7.438 1.00 12.32 H new ATOM 0 HG12 VAL B 92 12.480 1.287 -7.774 1.00 12.32 H new ATOM 0 HG13 VAL B 92 12.523 2.519 -6.491 1.00 12.32 H new ATOM 0 HG21 VAL B 92 10.929 4.614 -8.110 1.00 4.10 H new ATOM 0 HG22 VAL B 92 12.406 5.031 -7.210 1.00 4.10 H new ATOM 0 HG23 VAL B 92 12.293 5.389 -8.949 1.00 4.10 H new ATOM 1569 N SER B 93 14.236 4.075 -10.869 1.00 35.42 N ATOM 1570 CA SER B 93 14.586 4.943 -11.960 1.00 0.14 C ATOM 1571 C SER B 93 13.605 6.136 -12.091 1.00 54.44 C ATOM 1572 O SER B 93 12.441 6.065 -11.653 1.00 24.14 O ATOM 1573 CB SER B 93 14.649 4.114 -13.235 1.00 23.34 C ATOM 1574 OG SER B 93 15.498 2.986 -13.025 1.00 1.11 O ATOM 0 H SER B 93 13.707 3.247 -11.141 1.00 35.42 H new ATOM 0 HA SER B 93 15.563 5.386 -11.769 1.00 0.14 H new ATOM 0 HB2 SER B 93 13.649 3.783 -13.517 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.028 4.720 -14.058 1.00 23.34 H new ATOM 0 HG SER B 93 15.538 2.450 -13.844 1.00 1.11 H new ATOM 1580 N ARG B 94 14.106 7.230 -12.657 1.00 33.45 N ATOM 1581 CA ARG B 94 13.334 8.460 -12.900 1.00 2.32 C ATOM 1582 C ARG B 94 12.075 8.160 -13.716 1.00 72.10 C ATOM 1583 O ARG B 94 10.983 8.603 -13.368 1.00 61.25 O ATOM 1584 CB ARG B 94 14.192 9.495 -13.649 1.00 73.14 C ATOM 1585 CG ARG B 94 15.473 9.897 -12.933 1.00 54.32 C ATOM 1586 CD ARG B 94 16.312 10.856 -13.772 1.00 53.33 C ATOM 1587 NE ARG B 94 15.629 12.136 -14.017 1.00 21.14 N ATOM 1588 CZ ARG B 94 15.904 12.980 -15.017 1.00 13.43 C ATOM 1589 NH1 ARG B 94 16.891 12.707 -15.864 1.00 20.31 N ATOM 1590 NH2 ARG B 94 15.200 14.112 -15.152 1.00 44.34 N ATOM 0 H ARG B 94 15.075 7.295 -12.967 1.00 33.45 H new ATOM 0 HA ARG B 94 13.041 8.866 -11.932 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.450 9.092 -14.628 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.592 10.389 -13.820 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.226 10.367 -11.981 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.058 9.006 -12.706 1.00 54.32 H new ATOM 0 HD2 ARG B 94 17.258 11.044 -13.265 1.00 53.33 H new ATOM 0 HD3 ARG B 94 16.549 10.386 -14.726 1.00 53.33 H new ATOM 0 HE ARG B 94 14.885 12.401 -13.371 1.00 21.14 H new ATOM 0 HH11 ARG B 94 17.439 11.854 -15.751 1.00 20.31 H new ATOM 0 HH12 ARG B 94 17.101 13.351 -16.627 1.00 20.31 H new ATOM 0 HH21 ARG B 94 14.454 14.330 -14.492 1.00 44.34 H new ATOM 0 HH22 ARG B 94 15.410 14.755 -15.915 1.00 44.34 H new ATOM 1604 N GLN B 95 12.241 7.373 -14.778 1.00 63.51 N ATOM 1605 CA GLN B 95 11.136 6.982 -15.660 1.00 73.10 C ATOM 1606 C GLN B 95 10.086 6.194 -14.875 1.00 21.43 C ATOM 1607 O GLN B 95 8.879 6.328 -15.117 1.00 63.01 O ATOM 1608 CB GLN B 95 11.667 6.131 -16.826 1.00 14.11 C ATOM 1609 CG GLN B 95 10.620 5.742 -17.867 1.00 34.33 C ATOM 1610 CD GLN B 95 11.182 4.835 -18.946 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.372 4.895 -19.278 1.00 35.21 O ATOM 1612 NE2 GLN B 95 10.346 4.003 -19.515 1.00 24.53 N ATOM 0 H GLN B 95 13.144 6.987 -15.053 1.00 63.51 H new ATOM 0 HA GLN B 95 10.673 7.884 -16.061 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.466 6.681 -17.323 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.110 5.222 -16.420 1.00 14.11 H new ATOM 0 HG2 GLN B 95 9.789 5.240 -17.372 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.218 6.644 -18.328 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.370 3.978 -19.218 1.00 24.53 H new ATOM 0 HE22 GLN B 95 10.670 3.380 -20.255 1.00 24.53 H new ATOM 1621 N THR B 96 10.558 5.414 -13.923 1.00 21.22 N ATOM 1622 CA THR B 96 9.730 4.591 -13.084 1.00 0.23 C ATOM 1623 C THR B 96 8.800 5.452 -12.204 1.00 24.14 C ATOM 1624 O THR B 96 7.582 5.276 -12.228 1.00 5.35 O ATOM 1625 CB THR B 96 10.645 3.706 -12.204 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.510 2.931 -13.056 1.00 40.00 O ATOM 1627 CG2 THR B 96 9.853 2.784 -11.292 1.00 50.43 C ATOM 0 H THR B 96 11.553 5.338 -13.711 1.00 21.22 H new ATOM 0 HA THR B 96 9.095 3.963 -13.709 1.00 0.23 H new ATOM 0 HB THR B 96 11.232 4.363 -11.562 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.094 2.369 -12.505 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.540 2.184 -10.695 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.223 3.379 -10.631 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.227 2.126 -11.895 1.00 50.43 H new ATOM 1635 N ILE B 97 9.365 6.424 -11.490 1.00 3.24 N ATOM 1636 CA ILE B 97 8.564 7.279 -10.604 1.00 15.23 C ATOM 1637 C ILE B 97 7.686 8.252 -11.424 1.00 54.43 C ATOM 1638 O ILE B 97 6.555 8.554 -11.050 1.00 12.25 O ATOM 1639 CB ILE B 97 9.453 8.035 -9.559 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.612 8.879 -8.585 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.501 8.884 -10.235 1.00 12.10 C ATOM 1642 CD1 ILE B 97 7.671 8.068 -7.717 1.00 15.23 C ATOM 0 H ILE B 97 10.362 6.641 -11.504 1.00 3.24 H new ATOM 0 HA ILE B 97 7.898 6.631 -10.034 1.00 15.23 H new ATOM 0 HB ILE B 97 9.963 7.271 -8.973 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.283 9.448 -7.942 1.00 13.20 H new ATOM 0 HG13 ILE B 97 8.030 9.602 -9.157 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.099 9.394 -9.480 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.147 8.250 -10.842 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.015 9.623 -10.872 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.115 8.737 -7.059 1.00 15.23 H new ATOM 0 HD12 ILE B 97 6.974 7.520 -8.350 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.246 7.364 -7.116 1.00 15.23 H new ATOM 1654 N ASN B 98 8.203 8.684 -12.560 1.00 30.33 N ATOM 1655 CA ASN B 98 7.464 9.543 -13.501 1.00 60.42 C ATOM 1656 C ASN B 98 6.239 8.762 -14.015 1.00 3.24 C ATOM 1657 O ASN B 98 5.149 9.314 -14.253 1.00 13.11 O ATOM 1658 CB ASN B 98 8.403 9.955 -14.659 1.00 64.50 C ATOM 1659 CG ASN B 98 7.829 10.967 -15.649 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.637 11.015 -15.916 1.00 33.15 O ATOM 1661 ND2 ASN B 98 8.682 11.788 -16.190 1.00 74.02 N ATOM 0 H ASN B 98 9.148 8.455 -12.867 1.00 30.33 H new ATOM 0 HA ASN B 98 7.117 10.453 -13.011 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.316 10.370 -14.232 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.687 9.058 -15.209 1.00 64.50 H new ATOM 0 HD21 ASN B 98 8.361 12.493 -16.854 1.00 74.02 H new ATOM 0 HD22 ASN B 98 9.671 11.727 -15.950 1.00 74.02 H new ATOM 1668 N GLY B 99 6.443 7.471 -14.202 1.00 32.15 N ATOM 1669 CA GLY B 99 5.381 6.583 -14.603 1.00 62.40 C ATOM 1670 C GLY B 99 4.326 6.450 -13.523 1.00 51.22 C ATOM 1671 O GLY B 99 3.132 6.239 -13.816 1.00 73.51 O ATOM 0 H GLY B 99 7.347 7.015 -14.079 1.00 32.15 H new ATOM 0 HA2 GLY B 99 4.921 6.956 -15.518 1.00 62.40 H new ATOM 0 HA3 GLY B 99 5.794 5.601 -14.831 1.00 62.40 H new ATOM 1675 N ILE B 100 4.765 6.537 -12.279 1.00 55.13 N ATOM 1676 CA ILE B 100 3.889 6.488 -11.123 1.00 14.23 C ATOM 1677 C ILE B 100 3.033 7.755 -11.057 1.00 12.31 C ATOM 1678 O ILE B 100 1.844 7.669 -10.822 1.00 62.21 O ATOM 1679 CB ILE B 100 4.700 6.295 -9.793 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.500 4.974 -9.819 1.00 21.05 C ATOM 1681 CG2 ILE B 100 3.802 6.350 -8.559 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.651 3.721 -9.980 1.00 51.13 C ATOM 0 H ILE B 100 5.751 6.645 -12.042 1.00 55.13 H new ATOM 0 HA ILE B 100 3.233 5.624 -11.233 1.00 14.23 H new ATOM 0 HB ILE B 100 5.401 7.127 -9.726 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.220 5.017 -10.637 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.072 4.893 -8.895 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.407 6.212 -7.663 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.304 7.318 -8.515 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.054 5.559 -8.618 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.296 2.843 -9.988 1.00 51.13 H new ATOM 0 HD12 ILE B 100 3.949 3.648 -9.149 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.099 3.774 -10.918 1.00 51.13 H new ATOM 1694 N GLU B 101 3.642 8.923 -11.345 1.00 42.35 N ATOM 1695 CA GLU B 101 2.914 10.220 -11.344 1.00 14.13 C ATOM 1696 C GLU B 101 1.735 10.213 -12.321 1.00 62.12 C ATOM 1697 O GLU B 101 0.742 10.908 -12.115 1.00 33.44 O ATOM 1698 CB GLU B 101 3.836 11.382 -11.740 1.00 72.22 C ATOM 1699 CG GLU B 101 5.018 11.630 -10.828 1.00 22.14 C ATOM 1700 CD GLU B 101 5.806 12.850 -11.254 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.691 12.735 -12.127 1.00 14.03 O ATOM 1702 OE2 GLU B 101 5.523 13.961 -10.750 1.00 12.42 O ATOM 0 H GLU B 101 4.631 9.001 -11.581 1.00 42.35 H new ATOM 0 HA GLU B 101 2.550 10.356 -10.325 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.211 11.196 -12.746 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.240 12.293 -11.786 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.667 11.762 -9.805 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.670 10.756 -10.831 1.00 22.14 H new ATOM 1709 N LYS B 102 1.856 9.435 -13.372 1.00 72.42 N ATOM 1710 CA LYS B 102 0.795 9.313 -14.361 1.00 3.42 C ATOM 1711 C LYS B 102 -0.064 8.088 -14.091 1.00 64.33 C ATOM 1712 O LYS B 102 -0.939 7.761 -14.899 1.00 74.05 O ATOM 1713 CB LYS B 102 1.374 9.189 -15.768 1.00 71.34 C ATOM 1714 CG LYS B 102 2.159 10.388 -16.258 1.00 73.40 C ATOM 1715 CD LYS B 102 2.603 10.185 -17.703 1.00 3.32 C ATOM 1716 CE LYS B 102 3.589 9.030 -17.851 1.00 11.20 C ATOM 1717 NZ LYS B 102 4.867 9.313 -17.163 1.00 30.21 N ATOM 0 H LYS B 102 2.683 8.871 -13.570 1.00 72.42 H new ATOM 0 HA LYS B 102 0.186 10.214 -14.288 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.023 8.314 -15.799 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.556 9.003 -16.464 1.00 71.34 H new ATOM 0 HG2 LYS B 102 1.546 11.286 -16.183 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.031 10.543 -15.622 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.729 9.995 -18.326 1.00 3.32 H new ATOM 0 HD3 LYS B 102 3.063 11.102 -18.071 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.149 8.121 -17.442 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.778 8.845 -18.909 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.623 8.735 -17.583 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 5.103 10.320 -17.269 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 4.776 9.083 -16.153 1.00 30.21 H new ATOM 1731 N ASN B 103 0.212 7.401 -12.960 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.433 6.119 -12.553 1.00 41.10 C ATOM 1733 C ASN B 103 -0.473 5.134 -13.711 1.00 30.41 C ATOM 1734 O ASN B 103 -1.323 4.240 -13.780 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.838 6.319 -11.882 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.930 6.937 -12.763 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.053 8.161 -12.848 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.759 6.125 -13.366 1.00 15.22 N ATOM 0 H ASN B 103 0.905 7.725 -12.285 1.00 21.34 H new ATOM 0 HA ASN B 103 0.194 5.684 -11.775 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -2.190 5.349 -11.530 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.710 6.950 -11.002 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.528 6.501 -13.921 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.637 5.116 -13.281 1.00 15.22 H new ATOM 1745 N LYS B 104 0.557 5.211 -14.532 1.00 23.05 N ATOM 1746 CA LYS B 104 0.597 4.493 -15.765 1.00 71.21 C ATOM 1747 C LYS B 104 1.492 3.290 -15.608 1.00 63.12 C ATOM 1748 O LYS B 104 1.193 2.215 -16.106 1.00 54.40 O ATOM 1749 CB LYS B 104 1.126 5.422 -16.865 1.00 54.41 C ATOM 1750 CG LYS B 104 0.917 4.913 -18.275 1.00 51.33 C ATOM 1751 CD LYS B 104 -0.557 4.694 -18.530 1.00 14.11 C ATOM 1752 CE LYS B 104 -0.842 4.343 -19.968 1.00 53.22 C ATOM 1753 NZ LYS B 104 -2.266 4.030 -20.150 1.00 30.43 N ATOM 0 H LYS B 104 1.385 5.778 -14.351 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.401 4.152 -16.040 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.640 6.393 -16.767 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.192 5.582 -16.705 1.00 54.41 H new ATOM 0 HG2 LYS B 104 1.317 5.630 -18.993 1.00 51.33 H new ATOM 0 HG3 LYS B 104 1.462 3.980 -18.419 1.00 51.33 H new ATOM 0 HD2 LYS B 104 -0.921 3.895 -17.884 1.00 14.11 H new ATOM 0 HD3 LYS B 104 -1.108 5.596 -18.262 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -0.561 5.175 -20.614 1.00 53.22 H new ATOM 0 HE3 LYS B 104 -0.235 3.488 -20.267 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 -2.444 3.791 -21.146 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 -2.523 3.222 -19.548 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 -2.840 4.856 -19.885 1.00 30.43 H new ATOM 1767 N TYR B 105 2.550 3.471 -14.832 1.00 74.05 N ATOM 1768 CA TYR B 105 3.565 2.440 -14.599 1.00 12.53 C ATOM 1769 C TYR B 105 3.004 1.345 -13.682 1.00 13.41 C ATOM 1770 O TYR B 105 3.584 0.267 -13.557 1.00 2.12 O ATOM 1771 CB TYR B 105 4.773 3.108 -13.925 1.00 73.50 C ATOM 1772 CG TYR B 105 6.063 2.341 -13.999 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.858 2.454 -15.118 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.500 1.522 -12.957 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.048 1.779 -15.218 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.692 0.837 -13.052 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.462 0.970 -14.186 1.00 33.11 C ATOM 1778 OH TYR B 105 9.657 0.297 -14.288 1.00 24.32 O ATOM 0 H TYR B 105 2.735 4.344 -14.339 1.00 74.05 H new ATOM 0 HA TYR B 105 3.858 1.982 -15.544 1.00 12.53 H new ATOM 0 HB2 TYR B 105 4.926 4.086 -14.381 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.532 3.279 -12.876 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.538 3.087 -15.933 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.897 1.424 -12.066 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.657 1.883 -16.104 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.020 0.201 -12.243 1.00 1.32 H new ATOM 0 HH TYR B 105 9.806 -0.230 -13.476 1.00 24.32 H new ATOM 1788 N ASN B 106 1.859 1.655 -13.076 1.00 43.42 N ATOM 1789 CA ASN B 106 1.172 0.812 -12.091 1.00 41.25 C ATOM 1790 C ASN B 106 1.919 0.805 -10.768 1.00 40.41 C ATOM 1791 O ASN B 106 3.098 0.437 -10.703 1.00 21.44 O ATOM 1792 CB ASN B 106 0.865 -0.623 -12.586 1.00 44.44 C ATOM 1793 CG ASN B 106 0.150 -1.447 -11.518 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -1.068 -1.378 -11.388 1.00 64.13 O ATOM 1795 ND2 ASN B 106 0.881 -2.257 -10.786 1.00 53.45 N ATOM 0 H ASN B 106 1.365 2.528 -13.261 1.00 43.42 H new ATOM 0 HA ASN B 106 0.195 1.270 -11.937 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.247 -0.574 -13.483 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.795 -1.118 -12.866 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.438 -2.851 -10.086 1.00 53.45 H new ATOM 0 HD22 ASN B 106 1.892 -2.291 -10.918 1.00 53.45 H new ATOM 1802 N PRO B 107 1.263 1.263 -9.702 1.00 2.41 N ATOM 1803 CA PRO B 107 1.872 1.353 -8.388 1.00 33.40 C ATOM 1804 C PRO B 107 2.170 -0.008 -7.765 1.00 61.13 C ATOM 1805 O PRO B 107 1.261 -0.701 -7.265 1.00 2.50 O ATOM 1806 CB PRO B 107 0.839 2.117 -7.542 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.133 2.681 -8.523 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.129 1.740 -9.683 1.00 12.41 C ATOM 0 HA PRO B 107 2.842 1.848 -8.445 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.343 1.454 -6.834 1.00 23.24 H new ATOM 0 HB3 PRO B 107 1.314 2.907 -6.960 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -1.129 2.760 -8.086 1.00 52.51 H new ATOM 0 HG3 PRO B 107 0.160 3.684 -8.832 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.836 0.922 -9.544 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.399 2.241 -10.613 1.00 12.41 H new ATOM 1816 N SER B 108 3.411 -0.423 -7.873 1.00 32.11 N ATOM 1817 CA SER B 108 3.883 -1.589 -7.189 1.00 31.54 C ATOM 1818 C SER B 108 3.953 -1.226 -5.706 1.00 35.33 C ATOM 1819 O SER B 108 4.351 -0.096 -5.364 1.00 31.14 O ATOM 1820 CB SER B 108 5.258 -1.962 -7.729 1.00 33.24 C ATOM 1821 OG SER B 108 5.227 -2.072 -9.150 1.00 63.24 O ATOM 0 H SER B 108 4.118 0.044 -8.441 1.00 32.11 H new ATOM 0 HA SER B 108 3.226 -2.446 -7.336 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.987 -1.208 -7.433 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.582 -2.907 -7.293 1.00 33.24 H new ATOM 0 HG SER B 108 6.119 -2.310 -9.479 1.00 63.24 H new ATOM 1827 N LEU B 109 3.575 -2.139 -4.847 1.00 41.22 N ATOM 1828 CA LEU B 109 3.421 -1.836 -3.442 1.00 3.42 C ATOM 1829 C LEU B 109 4.733 -1.417 -2.774 1.00 71.35 C ATOM 1830 O LEU B 109 4.750 -0.413 -2.097 1.00 31.14 O ATOM 1831 CB LEU B 109 2.650 -2.965 -2.702 1.00 34.44 C ATOM 1832 CG LEU B 109 2.238 -2.737 -1.222 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.379 -3.040 -0.272 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.725 -1.296 -1.003 1.00 44.53 C ATOM 0 H LEU B 109 3.366 -3.106 -5.096 1.00 41.22 H new ATOM 0 HA LEU B 109 2.794 -0.948 -3.362 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.743 -3.174 -3.270 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.264 -3.865 -2.740 1.00 34.44 H new ATOM 0 HG LEU B 109 1.426 -3.430 -1.004 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.053 -2.869 0.754 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.682 -4.080 -0.388 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.223 -2.389 -0.498 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.444 -1.165 0.042 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.512 -0.587 -1.259 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.857 -1.119 -1.638 1.00 44.53 H new ATOM 1846 N GLN B 110 5.823 -2.142 -3.007 1.00 2.30 N ATOM 1847 CA GLN B 110 7.140 -1.780 -2.427 1.00 25.44 C ATOM 1848 C GLN B 110 7.536 -0.343 -2.813 1.00 14.52 C ATOM 1849 O GLN B 110 7.961 0.443 -1.967 1.00 12.34 O ATOM 1850 CB GLN B 110 8.214 -2.785 -2.889 1.00 43.20 C ATOM 1851 CG GLN B 110 9.644 -2.505 -2.406 1.00 23.12 C ATOM 1852 CD GLN B 110 9.794 -2.488 -0.888 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.677 -1.447 -0.248 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.050 -3.627 -0.316 1.00 45.30 N ATOM 0 H GLN B 110 5.835 -2.981 -3.588 1.00 2.30 H new ATOM 0 HA GLN B 110 7.063 -1.823 -1.341 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.924 -3.779 -2.549 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.217 -2.809 -3.979 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.311 -3.262 -2.818 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.969 -1.544 -2.804 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.140 -4.472 -0.880 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.160 -3.676 0.697 1.00 45.30 H new ATOM 1863 N LEU B 111 7.340 -0.008 -4.084 1.00 33.52 N ATOM 1864 CA LEU B 111 7.628 1.331 -4.606 1.00 33.42 C ATOM 1865 C LEU B 111 6.812 2.380 -3.860 1.00 12.12 C ATOM 1866 O LEU B 111 7.349 3.355 -3.369 1.00 53.21 O ATOM 1867 CB LEU B 111 7.322 1.428 -6.128 1.00 75.22 C ATOM 1868 CG LEU B 111 8.321 0.794 -7.131 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.550 -0.687 -6.879 1.00 72.44 C ATOM 1870 CD2 LEU B 111 7.827 1.008 -8.553 1.00 1.23 C ATOM 0 H LEU B 111 6.977 -0.654 -4.785 1.00 33.52 H new ATOM 0 HA LEU B 111 8.691 1.517 -4.454 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.347 0.971 -6.299 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.227 2.484 -6.379 1.00 75.22 H new ATOM 0 HG LEU B 111 9.280 1.292 -6.987 1.00 12.11 H new ATOM 0 HD11 LEU B 111 9.258 -1.076 -7.611 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.952 -0.827 -5.876 1.00 72.44 H new ATOM 0 HD13 LEU B 111 7.604 -1.222 -6.969 1.00 72.44 H new ATOM 0 HD21 LEU B 111 8.532 0.561 -9.254 1.00 1.23 H new ATOM 0 HD22 LEU B 111 6.850 0.540 -8.673 1.00 1.23 H new ATOM 0 HD23 LEU B 111 7.745 2.076 -8.753 1.00 1.23 H new ATOM 1882 N ALA B 112 5.530 2.113 -3.730 1.00 72.35 N ATOM 1883 CA ALA B 112 4.586 3.027 -3.101 1.00 41.10 C ATOM 1884 C ALA B 112 4.840 3.163 -1.600 1.00 44.34 C ATOM 1885 O ALA B 112 4.769 4.259 -1.036 1.00 24.52 O ATOM 1886 CB ALA B 112 3.165 2.537 -3.345 1.00 4.33 C ATOM 0 H ALA B 112 5.104 1.247 -4.060 1.00 72.35 H new ATOM 0 HA ALA B 112 4.722 4.012 -3.548 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.459 3.221 -2.874 1.00 4.33 H new ATOM 0 HB2 ALA B 112 2.973 2.498 -4.417 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.045 1.541 -2.918 1.00 4.33 H new ATOM 1892 N LEU B 113 5.157 2.048 -0.987 1.00 33.43 N ATOM 1893 CA LEU B 113 5.318 1.922 0.447 1.00 23.45 C ATOM 1894 C LEU B 113 6.494 2.765 0.946 1.00 50.21 C ATOM 1895 O LEU B 113 6.406 3.443 1.969 1.00 21.23 O ATOM 1896 CB LEU B 113 5.550 0.450 0.761 1.00 32.41 C ATOM 1897 CG LEU B 113 4.962 -0.067 2.049 1.00 61.44 C ATOM 1898 CD1 LEU B 113 3.452 0.111 2.035 1.00 11.43 C ATOM 1899 CD2 LEU B 113 5.312 -1.531 2.220 1.00 70.53 C ATOM 0 H LEU B 113 5.316 1.173 -1.486 1.00 33.43 H new ATOM 0 HA LEU B 113 4.423 2.285 0.953 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.144 -0.141 -0.060 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.625 0.272 0.782 1.00 32.41 H new ATOM 0 HG LEU B 113 5.376 0.497 2.885 1.00 61.44 H new ATOM 0 HD11 LEU B 113 3.033 -0.264 2.968 1.00 11.43 H new ATOM 0 HD12 LEU B 113 3.211 1.169 1.929 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.028 -0.444 1.198 1.00 11.43 H new ATOM 0 HD21 LEU B 113 4.885 -1.901 3.152 1.00 70.53 H new ATOM 0 HD22 LEU B 113 4.908 -2.102 1.384 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.396 -1.645 2.247 1.00 70.53 H new ATOM 1911 N LYS B 114 7.587 2.725 0.212 1.00 52.33 N ATOM 1912 CA LYS B 114 8.755 3.501 0.569 1.00 54.10 C ATOM 1913 C LYS B 114 8.548 5.005 0.404 1.00 25.41 C ATOM 1914 O LYS B 114 9.115 5.799 1.169 1.00 42.33 O ATOM 1915 CB LYS B 114 10.072 2.973 -0.017 1.00 63.32 C ATOM 1916 CG LYS B 114 10.094 2.721 -1.506 1.00 23.52 C ATOM 1917 CD LYS B 114 11.451 2.180 -1.936 1.00 64.34 C ATOM 1918 CE LYS B 114 11.804 0.883 -1.208 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.146 0.387 -1.582 1.00 33.32 N ATOM 0 H LYS B 114 7.690 2.164 -0.634 1.00 52.33 H new ATOM 0 HA LYS B 114 8.878 3.349 1.641 1.00 54.10 H new ATOM 0 HB2 LYS B 114 10.861 3.687 0.220 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.322 2.041 0.490 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.312 2.010 -1.772 1.00 23.52 H new ATOM 0 HG3 LYS B 114 9.879 3.646 -2.041 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.447 2.003 -3.012 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.219 2.928 -1.739 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.766 1.049 -0.131 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.058 0.122 -1.440 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.340 -0.503 -1.080 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.181 0.220 -2.608 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.863 1.095 -1.322 1.00 33.32 H new ATOM 1933 N ILE B 115 7.728 5.391 -0.583 1.00 54.11 N ATOM 1934 CA ILE B 115 7.412 6.815 -0.828 1.00 1.24 C ATOM 1935 C ILE B 115 6.774 7.411 0.428 1.00 2.41 C ATOM 1936 O ILE B 115 7.098 8.539 0.830 1.00 64.12 O ATOM 1937 CB ILE B 115 6.392 6.997 -2.003 1.00 62.52 C ATOM 1938 CG1 ILE B 115 6.904 6.355 -3.287 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.110 8.475 -2.241 1.00 5.22 C ATOM 1940 CD1 ILE B 115 5.935 6.426 -4.456 1.00 35.31 C ATOM 0 H ILE B 115 7.270 4.744 -1.225 1.00 54.11 H new ATOM 0 HA ILE B 115 8.346 7.314 -1.087 1.00 1.24 H new ATOM 0 HB ILE B 115 5.467 6.498 -1.716 1.00 62.52 H new ATOM 0 HG12 ILE B 115 7.837 6.840 -3.574 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.137 5.309 -3.088 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.400 8.582 -3.061 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.690 8.916 -1.337 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.038 8.986 -2.496 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.380 5.946 -5.327 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.009 5.914 -4.193 1.00 35.31 H new ATOM 0 HD13 ILE B 115 5.720 7.469 -4.687 1.00 35.31 H new ATOM 1952 N ALA B 116 5.944 6.613 1.082 1.00 44.20 N ATOM 1953 CA ALA B 116 5.256 7.021 2.296 1.00 11.21 C ATOM 1954 C ALA B 116 6.251 7.345 3.375 1.00 70.10 C ATOM 1955 O ALA B 116 6.144 8.367 4.061 1.00 34.45 O ATOM 1956 CB ALA B 116 4.389 5.901 2.794 1.00 53.40 C ATOM 0 H ALA B 116 5.728 5.662 0.784 1.00 44.20 H new ATOM 0 HA ALA B 116 4.653 7.899 2.064 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.877 6.214 3.704 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.652 5.645 2.033 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.008 5.029 3.008 1.00 53.40 H new ATOM 1962 N TYR B 117 7.228 6.482 3.500 1.00 50.04 N ATOM 1963 CA TYR B 117 8.215 6.569 4.531 1.00 11.22 C ATOM 1964 C TYR B 117 9.167 7.755 4.317 1.00 40.54 C ATOM 1965 O TYR B 117 9.358 8.564 5.222 1.00 51.22 O ATOM 1966 CB TYR B 117 8.967 5.237 4.619 1.00 31.54 C ATOM 1967 CG TYR B 117 9.990 5.159 5.719 1.00 42.44 C ATOM 1968 CD1 TYR B 117 9.629 4.823 7.015 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.312 5.413 5.453 1.00 52.31 C ATOM 1970 CE1 TYR B 117 10.572 4.746 8.018 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.270 5.340 6.446 1.00 14.05 C ATOM 1972 CZ TYR B 117 11.893 5.005 7.731 1.00 45.04 C ATOM 1973 OH TYR B 117 12.842 4.930 8.734 1.00 12.24 O ATOM 0 H TYR B 117 7.356 5.687 2.874 1.00 50.04 H new ATOM 0 HA TYR B 117 7.717 6.756 5.482 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.242 4.436 4.760 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.464 5.053 3.667 1.00 31.54 H new ATOM 0 HD1 TYR B 117 8.593 4.618 7.242 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.609 5.675 4.448 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.276 4.484 9.023 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.306 5.544 6.219 1.00 14.05 H new ATOM 0 HH TYR B 117 13.725 5.140 8.365 1.00 12.24 H new ATOM 1983 N TYR B 118 9.748 7.873 3.123 1.00 52.41 N ATOM 1984 CA TYR B 118 10.705 8.965 2.835 1.00 3.45 C ATOM 1985 C TYR B 118 10.062 10.352 2.865 1.00 25.43 C ATOM 1986 O TYR B 118 10.714 11.346 3.194 1.00 40.30 O ATOM 1987 CB TYR B 118 11.455 8.741 1.513 1.00 51.32 C ATOM 1988 CG TYR B 118 12.466 7.612 1.554 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.736 7.817 2.080 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.160 6.352 1.063 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.669 6.800 2.114 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.084 5.328 1.096 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.338 5.558 1.622 1.00 75.33 C ATOM 1994 OH TYR B 118 15.269 4.537 1.646 1.00 10.50 O ATOM 0 H TYR B 118 9.582 7.239 2.342 1.00 52.41 H new ATOM 0 HA TYR B 118 11.432 8.935 3.647 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.729 8.534 0.727 1.00 51.32 H new ATOM 0 HB3 TYR B 118 11.968 9.663 1.239 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.998 8.790 2.469 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.180 6.169 0.647 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.652 6.978 2.524 1.00 72.42 H new ATOM 0 HE2 TYR B 118 12.827 4.352 0.712 1.00 0.00 H new ATOM 0 HH TYR B 118 15.948 4.729 2.326 1.00 10.50 H new ATOM 2004 N LEU B 119 8.796 10.409 2.546 1.00 43.52 N ATOM 2005 CA LEU B 119 8.081 11.673 2.572 1.00 35.04 C ATOM 2006 C LEU B 119 7.416 11.890 3.913 1.00 52.42 C ATOM 2007 O LEU B 119 6.861 12.957 4.170 1.00 34.31 O ATOM 2008 CB LEU B 119 7.064 11.777 1.433 1.00 34.25 C ATOM 2009 CG LEU B 119 7.654 11.854 0.025 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.549 11.923 -1.011 1.00 73.24 C ATOM 2011 CD2 LEU B 119 8.569 13.065 -0.099 1.00 30.33 C ATOM 0 H LEU B 119 8.235 9.605 2.266 1.00 43.52 H new ATOM 0 HA LEU B 119 8.816 12.464 2.422 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.400 10.914 1.483 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.449 12.662 1.599 1.00 34.25 H new ATOM 0 HG LEU B 119 8.240 10.953 -0.153 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.987 11.977 -2.007 1.00 73.24 H new ATOM 0 HD12 LEU B 119 5.925 11.032 -0.937 1.00 73.24 H new ATOM 0 HD13 LEU B 119 5.939 12.809 -0.834 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.982 13.107 -1.107 1.00 30.33 H new ATOM 0 HD22 LEU B 119 7.999 13.973 0.098 1.00 30.33 H new ATOM 0 HD23 LEU B 119 9.381 12.983 0.623 1.00 30.33 H new ATOM 2022 N ASN B 120 7.500 10.866 4.766 1.00 23.44 N ATOM 2023 CA ASN B 120 6.887 10.825 6.108 1.00 34.54 C ATOM 2024 C ASN B 120 5.443 11.344 6.040 1.00 23.31 C ATOM 2025 O ASN B 120 5.004 12.192 6.824 1.00 53.04 O ATOM 2026 CB ASN B 120 7.739 11.613 7.119 1.00 0.13 C ATOM 2027 CG ASN B 120 7.470 11.222 8.574 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.359 10.834 8.955 1.00 41.33 O ATOM 2029 ND2 ASN B 120 8.493 11.289 9.388 1.00 61.11 N ATOM 0 H ASN B 120 8.011 10.013 4.540 1.00 23.44 H new ATOM 0 HA ASN B 120 6.853 9.793 6.457 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.794 11.453 6.897 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.545 12.678 6.995 1.00 0.13 H new ATOM 0 HD21 ASN B 120 8.386 11.017 10.365 1.00 61.11 H new ATOM 0 HD22 ASN B 120 9.397 11.613 9.045 1.00 61.11 H new ATOM 2036 N THR B 121 4.734 10.833 5.083 1.00 45.02 N ATOM 2037 CA THR B 121 3.383 11.201 4.814 1.00 24.13 C ATOM 2038 C THR B 121 2.628 9.895 4.618 1.00 75.14 C ATOM 2039 O THR B 121 3.199 8.968 4.044 1.00 45.22 O ATOM 2040 CB THR B 121 3.337 12.067 3.515 1.00 33.24 C ATOM 2041 OG1 THR B 121 4.237 13.188 3.654 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.944 12.595 3.242 1.00 53.13 C ATOM 0 H THR B 121 5.095 10.123 4.446 1.00 45.02 H new ATOM 0 HA THR B 121 2.943 11.788 5.620 1.00 24.13 H new ATOM 0 HB THR B 121 3.635 11.431 2.681 1.00 33.24 H new ATOM 0 HG1 THR B 121 5.160 12.863 3.698 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.954 13.192 2.330 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.255 11.759 3.121 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.619 13.214 4.078 1.00 53.13 H new ATOM 2050 N PRO B 122 1.388 9.767 5.139 1.00 2.53 N ATOM 2051 CA PRO B 122 0.604 8.533 5.009 1.00 62.14 C ATOM 2052 C PRO B 122 0.390 8.137 3.546 1.00 22.43 C ATOM 2053 O PRO B 122 0.473 8.989 2.635 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.737 8.873 5.676 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.771 10.358 5.742 1.00 3.21 C ATOM 2056 CD PRO B 122 0.649 10.800 5.881 1.00 22.03 C ATOM 0 HA PRO B 122 1.110 7.683 5.467 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.575 8.485 5.097 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.806 8.432 6.671 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.223 10.778 4.843 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -1.369 10.697 6.588 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.807 11.792 5.458 1.00 22.03 H new ATOM 0 HD3 PRO B 122 0.958 10.846 6.925 1.00 22.03 H new ATOM 2064 N LEU B 123 0.005 6.888 3.330 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.121 6.357 1.984 1.00 13.13 C ATOM 2066 C LEU B 123 -1.306 7.001 1.318 1.00 71.12 C ATOM 2067 O LEU B 123 -1.276 7.327 0.143 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.294 4.832 2.009 1.00 34.12 C ATOM 2069 CG LEU B 123 0.950 4.006 2.314 1.00 42.20 C ATOM 2070 CD1 LEU B 123 0.578 2.566 2.601 1.00 13.21 C ATOM 2071 CD2 LEU B 123 1.932 4.083 1.156 1.00 35.04 C ATOM 0 H LEU B 123 -0.225 6.225 4.070 1.00 62.42 H new ATOM 0 HA LEU B 123 0.788 6.580 1.425 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -1.054 4.588 2.751 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.682 4.518 1.040 1.00 34.12 H new ATOM 0 HG LEU B 123 1.428 4.418 3.203 1.00 42.20 H new ATOM 0 HD11 LEU B 123 1.480 1.993 2.816 1.00 13.21 H new ATOM 0 HD12 LEU B 123 -0.090 2.527 3.461 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.076 2.140 1.732 1.00 13.21 H new ATOM 0 HD21 LEU B 123 2.816 3.488 1.388 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.461 3.695 0.253 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.225 5.121 0.996 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.330 7.215 2.138 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.622 7.743 1.752 1.00 25.13 C ATOM 2084 C GLU B 124 -3.507 9.116 1.131 1.00 23.31 C ATOM 2085 O GLU B 124 -4.323 9.497 0.285 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.564 7.845 2.974 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.669 6.590 3.839 1.00 63.30 C ATOM 2088 CD GLU B 124 -3.596 6.494 4.902 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -2.434 6.235 4.579 1.00 71.30 O ATOM 2090 OE2 GLU B 124 -3.919 6.664 6.092 1.00 53.22 O ATOM 0 H GLU B 124 -2.273 7.013 3.136 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.031 7.049 1.017 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.226 8.669 3.602 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.562 8.103 2.619 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.647 6.571 4.320 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.612 5.711 3.197 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.546 9.888 1.590 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.352 11.218 1.066 1.00 63.41 C ATOM 2099 C ASP B 125 -1.748 11.145 -0.330 1.00 42.14 C ATOM 2100 O ASP B 125 -2.192 11.809 -1.263 1.00 72.41 O ATOM 2101 CB ASP B 125 -1.480 12.056 1.997 1.00 22.41 C ATOM 2102 CG ASP B 125 -1.523 13.525 1.645 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -2.630 14.121 1.720 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -0.480 14.128 1.347 1.00 14.52 O ATOM 0 H ASP B 125 -1.890 9.617 2.322 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.323 11.708 1.000 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -1.814 11.920 3.026 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -0.451 11.701 1.946 1.00 22.41 H new ATOM 2109 N ILE B 126 -0.755 10.290 -0.452 1.00 25.13 N ATOM 2110 CA ILE B 126 0.009 10.118 -1.681 1.00 73.13 C ATOM 2111 C ILE B 126 -0.815 9.388 -2.766 1.00 51.12 C ATOM 2112 O ILE B 126 -0.928 9.849 -3.925 1.00 44.15 O ATOM 2113 CB ILE B 126 1.342 9.379 -1.400 1.00 50.03 C ATOM 2114 CG1 ILE B 126 2.108 10.108 -0.280 1.00 75.01 C ATOM 2115 CG2 ILE B 126 2.188 9.322 -2.667 1.00 14.41 C ATOM 2116 CD1 ILE B 126 3.386 9.424 0.157 1.00 50.54 C ATOM 0 H ILE B 126 -0.447 9.683 0.308 1.00 25.13 H new ATOM 0 HA ILE B 126 0.244 11.110 -2.066 1.00 73.13 H new ATOM 0 HB ILE B 126 1.127 8.359 -1.081 1.00 50.03 H new ATOM 0 HG12 ILE B 126 2.348 11.116 -0.618 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.452 10.210 0.584 1.00 75.01 H new ATOM 0 HG21 ILE B 126 3.122 8.801 -2.458 1.00 14.41 H new ATOM 0 HG22 ILE B 126 1.642 8.789 -3.446 1.00 14.41 H new ATOM 0 HG23 ILE B 126 2.406 10.335 -3.005 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.858 10.007 0.948 1.00 50.54 H new ATOM 0 HD12 ILE B 126 3.155 8.426 0.530 1.00 50.54 H new ATOM 0 HD13 ILE B 126 4.066 9.346 -0.692 1.00 50.54 H new ATOM 2128 N PHE B 127 -1.379 8.255 -2.397 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.179 7.469 -3.309 1.00 22.52 C ATOM 2130 C PHE B 127 -3.626 7.495 -2.871 1.00 61.31 C ATOM 2131 O PHE B 127 -3.929 7.408 -1.684 1.00 64.35 O ATOM 2132 CB PHE B 127 -1.673 5.983 -3.377 1.00 0.12 C ATOM 2133 CG PHE B 127 -0.311 5.807 -3.986 1.00 21.33 C ATOM 2134 CD1 PHE B 127 0.833 6.045 -3.245 1.00 50.52 C ATOM 2135 CD2 PHE B 127 -0.179 5.405 -5.301 1.00 71.31 C ATOM 2136 CE1 PHE B 127 2.083 5.890 -3.807 1.00 53.10 C ATOM 2137 CE2 PHE B 127 1.069 5.247 -5.868 1.00 50.13 C ATOM 2138 CZ PHE B 127 2.201 5.490 -5.121 1.00 22.32 C ATOM 0 H PHE B 127 -1.295 7.857 -1.462 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.087 7.905 -4.304 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -1.660 5.572 -2.367 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -2.390 5.396 -3.950 1.00 0.12 H new ATOM 0 HD1 PHE B 127 0.746 6.356 -2.214 1.00 50.52 H new ATOM 0 HD2 PHE B 127 -1.062 5.212 -5.892 1.00 71.31 H new ATOM 0 HE1 PHE B 127 2.968 6.082 -3.219 1.00 53.10 H new ATOM 0 HE2 PHE B 127 1.159 4.933 -6.897 1.00 50.13 H new ATOM 0 HZ PHE B 127 3.178 5.367 -5.564 1.00 22.32 H new ATOM 2148 N GLN B 128 -4.506 7.597 -3.822 1.00 72.24 N ATOM 2149 CA GLN B 128 -5.912 7.590 -3.565 1.00 2.15 C ATOM 2150 C GLN B 128 -6.481 6.340 -4.174 1.00 41.21 C ATOM 2151 O GLN B 128 -6.307 6.073 -5.368 1.00 54.12 O ATOM 2152 CB GLN B 128 -6.581 8.844 -4.153 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.080 8.934 -3.897 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.702 10.187 -4.480 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.780 11.226 -3.822 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.168 10.100 -5.691 1.00 41.41 N ATOM 0 H GLN B 128 -4.263 7.688 -4.808 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.101 7.603 -2.492 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.099 9.728 -3.735 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -6.406 8.864 -5.229 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -8.570 8.059 -4.324 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.262 8.910 -2.823 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.086 9.224 -6.207 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -9.615 10.908 -6.125 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.142 5.593 -3.384 1.00 13.44 N ATOM 2166 CA TRP B 129 -7.667 4.340 -3.809 1.00 61.35 C ATOM 2167 C TRP B 129 -9.161 4.302 -3.692 1.00 61.52 C ATOM 2168 O TRP B 129 -9.726 4.597 -2.640 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.002 3.192 -3.046 1.00 14.01 C ATOM 2170 CG TRP B 129 -6.768 3.477 -1.583 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -7.701 3.571 -0.590 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.502 3.698 -0.961 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.087 3.837 0.603 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.738 3.913 0.405 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.191 3.732 -1.429 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.713 4.155 1.304 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.176 3.970 -0.536 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.443 4.178 0.815 1.00 31.53 C ATOM 0 H TRP B 129 -7.342 5.827 -2.411 1.00 13.44 H new ATOM 0 HA TRP B 129 -7.434 4.213 -4.866 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -7.624 2.302 -3.136 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -6.046 2.962 -3.518 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -8.766 3.453 -0.727 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.561 3.959 1.498 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -3.977 3.574 -2.476 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.913 4.319 2.352 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.155 3.996 -0.886 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.622 4.362 1.492 1.00 31.53 H new ATOM 2189 N GLN B 130 -9.802 3.984 -4.777 1.00 35.50 N ATOM 2190 CA GLN B 130 -11.224 3.875 -4.800 1.00 11.44 C ATOM 2191 C GLN B 130 -11.624 2.481 -5.235 1.00 30.22 C ATOM 2192 O GLN B 130 -11.642 2.172 -6.426 1.00 33.31 O ATOM 2193 CB GLN B 130 -11.847 4.931 -5.724 1.00 44.22 C ATOM 2194 CG GLN B 130 -11.558 6.372 -5.317 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.180 6.779 -3.983 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -12.384 5.962 -3.078 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -12.491 8.035 -3.852 1.00 53.21 N ATOM 0 H GLN B 130 -9.350 3.793 -5.671 1.00 35.50 H new ATOM 0 HA GLN B 130 -11.601 4.055 -3.793 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -11.479 4.772 -6.738 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -12.927 4.783 -5.749 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -10.479 6.513 -5.261 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -11.926 7.039 -6.096 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.311 8.687 -4.615 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -12.915 8.368 -2.986 1.00 53.21 H new ATOM 2206 N PRO B 131 -11.866 1.585 -4.271 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.347 0.232 -4.557 1.00 13.14 C ATOM 2208 C PRO B 131 -13.875 0.231 -4.633 1.00 44.11 C ATOM 2209 O PRO B 131 -14.527 -0.803 -4.785 1.00 4.41 O ATOM 2210 CB PRO B 131 -11.869 -0.552 -3.331 1.00 11.15 C ATOM 2211 CG PRO B 131 -11.890 0.435 -2.205 1.00 34.32 C ATOM 2212 CD PRO B 131 -11.653 1.798 -2.813 1.00 62.43 C ATOM 0 HA PRO B 131 -11.990 -0.179 -5.501 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -12.523 -1.399 -3.125 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -10.867 -0.953 -3.485 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.847 0.406 -1.683 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.119 0.200 -1.471 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -12.345 2.539 -2.413 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -10.645 2.158 -2.605 1.00 62.43 H new