USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=28 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 96 THR OG1 : rot -77:sc= -0.247 USER MOD Set 1.2: B 105 TYR OH : rot 180:sc= 0.0366 USER MOD Set 2.1: B 83 GLN : amide:sc= 1.2 K(o=0.63,f=-0.66) USER MOD Set 2.2: B 98 ASN :FLIP amide:sc= -0.568 F(o=0.11,f=0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.3 (180deg=1.11) USER MOD Single : A 4 ASN : amide:sc= -0.0222 K(o=-0.022,f=-5.8!) USER MOD Single : A 5 ASN : amide:sc= 0.0652 X(o=0.065,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0283 (180deg=-0.212) USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -0.0559 (180deg=-0.425) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.465 K(o=-0.46,f=-1.2) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.103 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -2.76! C(o=-2.8!,f=-7.2!) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.856 (180deg=0.266) 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= -0.242 K(o=-0.24,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 3:sc= 0.364 USER MOD Single : A 62 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.051) USER MOD Single : A 64 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.44) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -2.49! C(o=-2.5!,f=-8.9!) USER MOD Single : B 71 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.26) USER MOD Single : B 73 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.775) USER MOD Single : B 78 LYS NZ :NH3+ -168:sc= -0.0199 (180deg=-0.184) USER MOD Single : B 79 LYS NZ :NH3+ 166:sc= -0.0126 (180deg=-0.168) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 84:sc=0.000562 USER MOD Single : B 84 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= -0.0758 K(o=-0.076,f=-0.69) USER MOD Single : B 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0701) USER MOD Single : B 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0295) 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 X(o=0,f=-0.39) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc=-0.00105 X(o=-0.0011,f=-0.1) USER MOD Single : B 121 THR OG1 : rot 78:sc= 0.239 USER MOD Single : B 128 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.975 K(o=-0.97,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.268 -5.270 5.329 1.00 4.52 N ATOM 2 CA MET A 1 11.374 -6.202 5.998 1.00 15.43 C ATOM 3 C MET A 1 9.977 -5.663 6.072 1.00 54.41 C ATOM 4 O MET A 1 9.745 -4.454 5.989 1.00 33.23 O ATOM 5 CB MET A 1 11.849 -6.556 7.414 1.00 32.24 C ATOM 6 CG MET A 1 13.076 -7.438 7.470 1.00 0.23 C ATOM 7 SD MET A 1 13.483 -7.929 9.154 1.00 54.32 S ATOM 8 CE MET A 1 14.880 -9.003 8.849 1.00 74.51 C ATOM 0 H1 MET A 1 13.168 -5.219 5.848 1.00 4.52 H new ATOM 0 H2 MET A 1 12.447 -5.597 4.358 1.00 4.52 H new ATOM 0 H3 MET A 1 11.830 -4.327 5.302 1.00 4.52 H new ATOM 0 HA MET A 1 11.383 -7.110 5.394 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.058 -5.632 7.953 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.036 -7.055 7.941 1.00 32.24 H new ATOM 0 HG2 MET A 1 12.910 -8.328 6.864 1.00 0.23 H new ATOM 0 HG3 MET A 1 13.923 -6.908 7.033 1.00 0.23 H new ATOM 0 HE1 MET A 1 15.253 -9.393 9.796 1.00 74.51 H new ATOM 0 HE2 MET A 1 14.570 -9.832 8.212 1.00 74.51 H new ATOM 0 HE3 MET A 1 15.670 -8.440 8.352 1.00 74.51 H new ATOM 20 N ILE A 2 9.059 -6.562 6.227 1.00 22.43 N ATOM 21 CA ILE A 2 7.670 -6.253 6.354 1.00 32.41 C ATOM 22 C ILE A 2 7.180 -6.866 7.651 1.00 45.13 C ATOM 23 O ILE A 2 7.569 -7.983 7.999 1.00 32.11 O ATOM 24 CB ILE A 2 6.835 -6.810 5.140 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.299 -6.185 3.805 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.327 -6.598 5.334 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.144 -4.677 3.722 1.00 54.01 C ATOM 0 H ILE A 2 9.260 -7.561 6.270 1.00 22.43 H new ATOM 0 HA ILE A 2 7.538 -5.171 6.358 1.00 32.41 H new ATOM 0 HB ILE A 2 7.017 -7.884 5.100 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.347 -6.438 3.646 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.734 -6.640 2.991 1.00 72.41 H new ATOM 0 HG21 ILE A 2 4.790 -6.997 4.474 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.000 -7.114 6.237 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.119 -5.532 5.430 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.495 -4.328 2.751 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.094 -4.412 3.845 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.732 -4.207 4.510 1.00 54.01 H new ATOM 39 N ILE A 3 6.391 -6.136 8.371 1.00 31.31 N ATOM 40 CA ILE A 3 5.793 -6.605 9.582 1.00 25.12 C ATOM 41 C ILE A 3 4.334 -6.750 9.258 1.00 13.31 C ATOM 42 O ILE A 3 3.720 -5.804 8.750 1.00 33.20 O ATOM 43 CB ILE A 3 5.967 -5.597 10.755 1.00 23.21 C ATOM 44 CG1 ILE A 3 7.459 -5.316 11.012 1.00 63.44 C ATOM 45 CG2 ILE A 3 5.284 -6.117 12.026 1.00 51.22 C ATOM 46 CD1 ILE A 3 7.719 -4.326 12.133 1.00 2.41 C ATOM 0 H ILE A 3 6.138 -5.178 8.130 1.00 31.31 H new ATOM 0 HA ILE A 3 6.260 -7.534 9.909 1.00 25.12 H new ATOM 0 HB ILE A 3 5.487 -4.660 10.473 1.00 23.21 H new ATOM 0 HG12 ILE A 3 7.959 -6.255 11.248 1.00 63.44 H new ATOM 0 HG13 ILE A 3 7.909 -4.937 10.095 1.00 63.44 H new ATOM 0 HG21 ILE A 3 5.419 -5.396 12.832 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.219 -6.255 11.837 1.00 51.22 H new ATOM 0 HG23 ILE A 3 5.728 -7.070 12.314 1.00 51.22 H new ATOM 0 HD11 ILE A 3 8.793 -4.183 12.250 1.00 2.41 H new ATOM 0 HD12 ILE A 3 7.250 -3.372 11.892 1.00 2.41 H new ATOM 0 HD13 ILE A 3 7.301 -4.711 13.063 1.00 2.41 H new ATOM 58 N ASN A 4 3.783 -7.892 9.490 1.00 20.22 N ATOM 59 CA ASN A 4 2.426 -8.156 9.119 1.00 24.23 C ATOM 60 C ASN A 4 1.602 -8.267 10.367 1.00 32.00 C ATOM 61 O ASN A 4 1.947 -9.034 11.283 1.00 60.31 O ATOM 62 CB ASN A 4 2.367 -9.461 8.321 1.00 41.35 C ATOM 63 CG ASN A 4 0.967 -9.856 7.908 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.107 -9.012 7.707 1.00 51.44 O ATOM 65 ND2 ASN A 4 0.725 -11.141 7.808 1.00 33.01 N ATOM 0 H ASN A 4 4.257 -8.673 9.943 1.00 20.22 H new ATOM 0 HA ASN A 4 2.035 -7.349 8.499 1.00 24.23 H new ATOM 0 HB2 ASN A 4 2.985 -9.360 7.429 1.00 41.35 H new ATOM 0 HB3 ASN A 4 2.800 -10.263 8.919 1.00 41.35 H new ATOM 0 HD21 ASN A 4 -0.208 -11.466 7.555 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.470 -11.815 7.984 1.00 33.01 H new ATOM 72 N ASN A 5 0.553 -7.496 10.442 1.00 65.43 N ATOM 73 CA ASN A 5 -0.293 -7.485 11.614 1.00 54.20 C ATOM 74 C ASN A 5 -1.699 -7.871 11.237 1.00 74.31 C ATOM 75 O ASN A 5 -2.628 -7.645 12.004 1.00 70.34 O ATOM 76 CB ASN A 5 -0.313 -6.095 12.286 1.00 72.22 C ATOM 77 CG ASN A 5 1.065 -5.551 12.608 1.00 20.33 C ATOM 78 OD1 ASN A 5 1.644 -5.861 13.645 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.582 -4.710 11.750 1.00 62.53 N ATOM 0 H ASN A 5 0.258 -6.860 9.701 1.00 65.43 H new ATOM 0 HA ASN A 5 0.116 -8.205 12.323 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.827 -5.392 11.630 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.894 -6.155 13.206 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.493 -4.290 11.933 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.074 -4.474 10.898 1.00 62.53 H new ATOM 86 N LEU A 6 -1.847 -8.483 10.061 1.00 31.42 N ATOM 87 CA LEU A 6 -3.148 -8.894 9.522 1.00 41.12 C ATOM 88 C LEU A 6 -3.951 -9.711 10.557 1.00 32.41 C ATOM 89 O LEU A 6 -5.137 -9.431 10.793 1.00 15.34 O ATOM 90 CB LEU A 6 -2.921 -9.663 8.177 1.00 22.14 C ATOM 91 CG LEU A 6 -4.141 -10.096 7.317 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.834 -11.323 7.866 1.00 11.20 C ATOM 93 CD2 LEU A 6 -5.131 -8.952 7.163 1.00 33.32 C ATOM 0 H LEU A 6 -1.063 -8.710 9.450 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.756 -8.015 9.309 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -2.286 -9.038 7.549 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.352 -10.563 8.410 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.750 -10.361 6.335 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.678 -11.581 7.227 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.132 -12.156 7.893 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.192 -11.118 8.875 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.975 -9.281 6.557 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -5.488 -8.645 8.146 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -4.641 -8.110 6.675 1.00 33.32 H new ATOM 105 N LYS A 7 -3.309 -10.690 11.187 1.00 14.34 N ATOM 106 CA LYS A 7 -3.977 -11.487 12.212 1.00 42.10 C ATOM 107 C LYS A 7 -4.341 -10.659 13.450 1.00 53.11 C ATOM 108 O LYS A 7 -5.383 -10.888 14.048 1.00 74.22 O ATOM 109 CB LYS A 7 -3.220 -12.773 12.597 1.00 5.41 C ATOM 110 CG LYS A 7 -1.832 -12.563 13.172 1.00 35.52 C ATOM 111 CD LYS A 7 -1.237 -13.863 13.690 1.00 25.45 C ATOM 112 CE LYS A 7 -2.016 -14.388 14.891 1.00 12.21 C ATOM 113 NZ LYS A 7 -1.441 -15.640 15.419 1.00 61.12 N ATOM 0 H LYS A 7 -2.339 -10.949 11.009 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.907 -11.816 11.748 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.817 -13.322 13.325 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -3.137 -13.404 11.712 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -1.180 -12.144 12.406 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.880 -11.836 13.983 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.242 -14.610 12.896 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.196 -13.703 13.971 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -2.023 -13.633 15.677 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -3.054 -14.559 14.604 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -2.001 -15.962 16.234 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -1.458 -16.369 14.678 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.459 -15.472 15.718 1.00 61.12 H new ATOM 127 N LEU A 8 -3.465 -9.739 13.853 1.00 3.54 N ATOM 128 CA LEU A 8 -3.715 -8.872 15.011 1.00 24.22 C ATOM 129 C LEU A 8 -5.012 -8.056 14.811 1.00 33.32 C ATOM 130 O LEU A 8 -5.849 -7.991 15.722 1.00 35.35 O ATOM 131 CB LEU A 8 -2.477 -7.959 15.261 1.00 15.15 C ATOM 132 CG LEU A 8 -2.356 -7.228 16.627 1.00 23.14 C ATOM 133 CD1 LEU A 8 -3.360 -6.099 16.789 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.487 -8.223 17.768 1.00 34.11 C ATOM 0 H LEU A 8 -2.570 -9.572 13.393 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.862 -9.486 15.900 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.584 -8.570 15.132 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.461 -7.201 14.477 1.00 15.15 H new ATOM 0 HG LEU A 8 -1.367 -6.770 16.653 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -3.224 -5.628 17.763 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -3.205 -5.359 16.004 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -4.372 -6.499 16.717 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.401 -7.699 18.720 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.458 -8.715 17.712 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.697 -8.970 17.692 1.00 34.11 H new ATOM 146 N ILE A 9 -5.195 -7.468 13.615 1.00 72.34 N ATOM 147 CA ILE A 9 -6.444 -6.736 13.301 1.00 55.53 C ATOM 148 C ILE A 9 -7.637 -7.697 13.378 1.00 3.21 C ATOM 149 O ILE A 9 -8.714 -7.357 13.885 1.00 40.20 O ATOM 150 CB ILE A 9 -6.425 -5.993 11.891 1.00 33.31 C ATOM 151 CG1 ILE A 9 -5.540 -4.722 11.900 1.00 5.53 C ATOM 152 CG2 ILE A 9 -7.834 -5.621 11.427 1.00 15.31 C ATOM 153 CD1 ILE A 9 -4.060 -4.950 12.042 1.00 1.24 C ATOM 0 H ILE A 9 -4.510 -7.482 12.860 1.00 72.34 H new ATOM 0 HA ILE A 9 -6.537 -5.949 14.049 1.00 55.53 H new ATOM 0 HB ILE A 9 -5.993 -6.707 11.190 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -5.716 -4.174 10.974 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.869 -4.080 12.717 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -7.778 -5.117 10.462 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -8.435 -6.525 11.330 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -8.294 -4.956 12.158 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -3.542 -3.991 12.036 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.860 -5.465 12.982 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -3.704 -5.560 11.212 1.00 1.24 H new ATOM 165 N ARG A 10 -7.415 -8.906 12.917 1.00 23.44 N ATOM 166 CA ARG A 10 -8.420 -9.950 12.958 1.00 2.23 C ATOM 167 C ARG A 10 -8.814 -10.327 14.373 1.00 61.23 C ATOM 168 O ARG A 10 -9.924 -10.777 14.579 1.00 0.10 O ATOM 169 CB ARG A 10 -7.972 -11.172 12.201 1.00 24.15 C ATOM 170 CG ARG A 10 -7.998 -11.021 10.710 1.00 71.12 C ATOM 171 CD ARG A 10 -7.328 -12.196 10.050 1.00 32.20 C ATOM 172 NE ARG A 10 -7.839 -13.482 10.517 1.00 64.13 N ATOM 173 CZ ARG A 10 -7.655 -14.637 9.887 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.205 -14.647 8.632 1.00 64.25 N ATOM 175 NH2 ARG A 10 -7.970 -15.767 10.493 1.00 51.23 N ATOM 0 H ARG A 10 -6.530 -9.197 12.501 1.00 23.44 H new ATOM 0 HA ARG A 10 -9.304 -9.539 12.472 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.958 -11.425 12.511 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.609 -12.011 12.480 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -9.029 -10.941 10.364 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.493 -10.099 10.423 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.466 -12.127 8.971 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.255 -12.148 10.238 1.00 32.20 H new ATOM 0 HE ARG A 10 -8.373 -13.494 11.386 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.002 -13.768 8.156 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.064 -15.534 8.148 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -8.352 -15.749 11.439 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -7.831 -16.658 10.015 1.00 51.23 H new ATOM 189 N GLU A 11 -7.876 -10.268 15.316 1.00 3.43 N ATOM 190 CA GLU A 11 -8.183 -10.478 16.728 1.00 32.25 C ATOM 191 C GLU A 11 -8.975 -9.320 17.345 1.00 23.22 C ATOM 192 O GLU A 11 -9.741 -9.522 18.297 1.00 24.24 O ATOM 193 CB GLU A 11 -6.945 -10.813 17.543 1.00 73.21 C ATOM 194 CG GLU A 11 -6.242 -12.063 17.058 1.00 31.54 C ATOM 195 CD GLU A 11 -5.174 -12.526 17.994 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.116 -11.891 18.063 1.00 73.43 O ATOM 197 OE2 GLU A 11 -5.387 -13.538 18.700 1.00 52.20 O ATOM 0 H GLU A 11 -6.893 -10.075 15.126 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.836 -11.350 16.764 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.251 -9.973 17.503 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.228 -10.943 18.588 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.975 -12.859 16.928 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.803 -11.871 16.079 1.00 31.54 H new ATOM 204 N LYS A 12 -8.704 -8.094 16.879 1.00 12.34 N ATOM 205 CA LYS A 12 -9.482 -6.908 17.306 1.00 0.30 C ATOM 206 C LYS A 12 -10.965 -7.099 16.986 1.00 41.03 C ATOM 207 O LYS A 12 -11.844 -6.660 17.731 1.00 70.21 O ATOM 208 CB LYS A 12 -8.955 -5.632 16.639 1.00 31.15 C ATOM 209 CG LYS A 12 -7.503 -5.320 16.968 1.00 63.14 C ATOM 210 CD LYS A 12 -7.020 -4.041 16.290 1.00 63.03 C ATOM 211 CE LYS A 12 -7.791 -2.813 16.761 1.00 13.30 C ATOM 212 NZ LYS A 12 -7.277 -1.575 16.144 1.00 22.43 N ATOM 0 H LYS A 12 -7.960 -7.891 16.212 1.00 12.34 H new ATOM 0 HA LYS A 12 -9.365 -6.800 18.384 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -9.060 -5.729 15.558 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -9.576 -4.790 16.946 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -7.390 -5.222 18.048 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.874 -6.154 16.656 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -5.958 -3.902 16.495 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -7.126 -4.142 15.210 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -8.847 -2.930 16.516 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -7.722 -2.734 17.846 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -7.826 -0.762 16.488 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -6.276 -1.450 16.398 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -7.366 -1.640 15.110 1.00 22.43 H new ATOM 226 N LYS A 13 -11.227 -7.723 15.871 1.00 11.23 N ATOM 227 CA LYS A 13 -12.567 -8.159 15.508 1.00 71.54 C ATOM 228 C LYS A 13 -12.540 -9.665 15.712 1.00 62.41 C ATOM 229 O LYS A 13 -11.741 -10.142 16.502 1.00 22.21 O ATOM 230 CB LYS A 13 -12.816 -7.851 14.022 1.00 24.24 C ATOM 231 CG LYS A 13 -12.553 -6.407 13.626 1.00 24.13 C ATOM 232 CD LYS A 13 -13.419 -5.438 14.405 1.00 4.22 C ATOM 233 CE LYS A 13 -13.139 -4.005 14.003 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.456 -3.747 12.586 1.00 54.41 N ATOM 0 H LYS A 13 -10.517 -7.950 15.175 1.00 11.23 H new ATOM 0 HA LYS A 13 -13.345 -7.667 16.092 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -12.183 -8.501 13.418 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.850 -8.098 13.781 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -11.502 -6.170 13.795 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.740 -6.284 12.559 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -14.471 -5.667 14.233 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -13.236 -5.561 15.473 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.724 -3.333 14.632 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -12.089 -3.778 14.185 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -13.477 -2.721 12.416 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -12.729 -4.183 11.983 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -14.385 -4.155 12.358 1.00 54.41 H new ATOM 248 N LYS A 14 -13.413 -10.420 15.125 1.00 71.43 N ATOM 249 CA LYS A 14 -13.156 -11.838 15.044 1.00 32.42 C ATOM 250 C LYS A 14 -13.588 -12.383 13.723 1.00 13.24 C ATOM 251 O LYS A 14 -14.723 -12.830 13.535 1.00 5.54 O ATOM 252 CB LYS A 14 -13.644 -12.665 16.250 1.00 73.24 C ATOM 253 CG LYS A 14 -15.046 -12.401 16.732 1.00 40.21 C ATOM 254 CD LYS A 14 -15.338 -13.290 17.923 1.00 43.22 C ATOM 255 CE LYS A 14 -16.627 -12.918 18.613 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.576 -11.551 19.163 1.00 23.43 N ATOM 0 H LYS A 14 -14.286 -10.101 14.704 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.074 -11.950 15.108 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.567 -13.721 15.991 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -12.961 -12.490 17.081 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.157 -11.353 17.009 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.761 -12.596 15.933 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.391 -14.328 17.594 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.515 -13.222 18.634 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.453 -12.995 17.907 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -16.827 -13.626 19.417 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -16.884 -11.565 20.156 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.602 -11.190 19.107 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -17.206 -10.932 18.614 1.00 23.43 H new ATOM 270 N ILE A 15 -12.694 -12.266 12.784 1.00 13.13 N ATOM 271 CA ILE A 15 -12.915 -12.703 11.441 1.00 43.54 C ATOM 272 C ILE A 15 -11.806 -13.681 11.080 1.00 51.30 C ATOM 273 O ILE A 15 -10.639 -13.449 11.424 1.00 65.41 O ATOM 274 CB ILE A 15 -12.878 -11.497 10.449 1.00 70.43 C ATOM 275 CG1 ILE A 15 -13.800 -10.358 10.934 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.304 -11.950 9.059 1.00 62.43 C ATOM 277 CD1 ILE A 15 -13.775 -9.112 10.063 1.00 1.24 C ATOM 0 H ILE A 15 -11.773 -11.855 12.937 1.00 13.13 H new ATOM 0 HA ILE A 15 -13.896 -13.174 11.368 1.00 43.54 H new ATOM 0 HB ILE A 15 -11.856 -11.121 10.408 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -14.823 -10.731 10.983 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.513 -10.082 11.949 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.275 -11.102 8.375 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -12.625 -12.725 8.705 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.318 -12.348 9.101 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.451 -8.365 10.478 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -12.763 -8.709 10.034 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.093 -9.368 9.052 1.00 1.24 H new ATOM 289 N SER A 16 -12.161 -14.754 10.442 1.00 2.42 N ATOM 290 CA SER A 16 -11.218 -15.740 10.028 1.00 41.31 C ATOM 291 C SER A 16 -10.997 -15.663 8.500 1.00 13.21 C ATOM 292 O SER A 16 -11.514 -14.743 7.833 1.00 35.13 O ATOM 293 CB SER A 16 -11.690 -17.113 10.482 1.00 43.33 C ATOM 294 OG SER A 16 -11.849 -17.143 11.896 1.00 71.34 O ATOM 0 H SER A 16 -13.126 -14.970 10.192 1.00 2.42 H new ATOM 0 HA SER A 16 -10.251 -15.552 10.494 1.00 41.31 H new ATOM 0 HB2 SER A 16 -12.636 -17.357 9.999 1.00 43.33 H new ATOM 0 HB3 SER A 16 -10.970 -17.872 10.175 1.00 43.33 H new ATOM 0 HG SER A 16 -12.155 -18.032 12.172 1.00 71.34 H new ATOM 300 N GLN A 17 -10.248 -16.613 7.948 1.00 45.12 N ATOM 301 CA GLN A 17 -9.857 -16.572 6.540 1.00 65.34 C ATOM 302 C GLN A 17 -11.026 -16.652 5.557 1.00 13.44 C ATOM 303 O GLN A 17 -11.043 -15.920 4.572 1.00 12.11 O ATOM 304 CB GLN A 17 -8.804 -17.629 6.191 1.00 30.22 C ATOM 305 CG GLN A 17 -9.206 -19.053 6.519 1.00 4.43 C ATOM 306 CD GLN A 17 -8.276 -20.066 5.908 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.506 -20.535 4.794 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.219 -20.388 6.591 1.00 45.23 N ATOM 0 H GLN A 17 -9.898 -17.425 8.456 1.00 45.12 H new ATOM 0 HA GLN A 17 -9.415 -15.583 6.421 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.583 -17.564 5.126 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -7.882 -17.394 6.723 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.221 -19.183 7.601 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.220 -19.233 6.162 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.062 -19.978 7.512 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.546 -21.051 6.207 1.00 45.23 H new ATOM 317 N SER A 18 -12.003 -17.503 5.818 1.00 55.44 N ATOM 318 CA SER A 18 -13.094 -17.703 4.881 1.00 52.11 C ATOM 319 C SER A 18 -13.950 -16.444 4.702 1.00 62.21 C ATOM 320 O SER A 18 -14.297 -16.077 3.561 1.00 10.02 O ATOM 321 CB SER A 18 -13.939 -18.895 5.318 1.00 45.03 C ATOM 322 OG SER A 18 -13.110 -20.041 5.485 1.00 21.34 O ATOM 0 H SER A 18 -12.063 -18.064 6.667 1.00 55.44 H new ATOM 0 HA SER A 18 -12.661 -17.916 3.904 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.451 -18.666 6.253 1.00 45.03 H new ATOM 0 HB3 SER A 18 -14.710 -19.098 4.574 1.00 45.03 H new ATOM 0 HG SER A 18 -13.658 -20.803 5.767 1.00 21.34 H new ATOM 328 N GLU A 19 -14.261 -15.774 5.802 1.00 50.43 N ATOM 329 CA GLU A 19 -15.061 -14.564 5.752 1.00 3.23 C ATOM 330 C GLU A 19 -14.311 -13.471 5.016 1.00 41.23 C ATOM 331 O GLU A 19 -14.900 -12.723 4.238 1.00 11.14 O ATOM 332 CB GLU A 19 -15.455 -14.048 7.144 1.00 33.34 C ATOM 333 CG GLU A 19 -16.061 -15.077 8.082 1.00 42.23 C ATOM 334 CD GLU A 19 -15.020 -15.891 8.811 1.00 44.10 C ATOM 335 OE1 GLU A 19 -14.526 -16.905 8.266 1.00 70.32 O ATOM 336 OE2 GLU A 19 -14.685 -15.540 9.952 1.00 64.25 O ATOM 0 H GLU A 19 -13.970 -16.050 6.740 1.00 50.43 H new ATOM 0 HA GLU A 19 -15.978 -14.823 5.223 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.569 -13.628 7.619 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.167 -13.232 7.020 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -16.694 -14.570 8.810 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -16.705 -15.747 7.512 1.00 42.23 H new ATOM 343 N LEU A 20 -13.005 -13.392 5.249 1.00 73.22 N ATOM 344 CA LEU A 20 -12.170 -12.402 4.585 1.00 10.22 C ATOM 345 C LEU A 20 -12.045 -12.680 3.107 1.00 65.33 C ATOM 346 O LEU A 20 -12.074 -11.764 2.308 1.00 30.50 O ATOM 347 CB LEU A 20 -10.787 -12.314 5.220 1.00 32.54 C ATOM 348 CG LEU A 20 -10.729 -11.703 6.611 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.316 -11.750 7.143 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.227 -10.266 6.573 1.00 23.21 C ATOM 0 H LEU A 20 -12.503 -14.003 5.893 1.00 73.22 H new ATOM 0 HA LEU A 20 -12.667 -11.440 4.712 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.367 -13.319 5.268 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.143 -11.731 4.562 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.373 -12.281 7.275 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.288 -11.310 8.140 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -8.981 -12.786 7.194 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -8.658 -11.188 6.479 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.181 -9.838 7.575 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.600 -9.681 5.900 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.257 -10.247 6.217 1.00 23.21 H new ATOM 362 N ALA A 21 -11.929 -13.946 2.753 1.00 4.44 N ATOM 363 CA ALA A 21 -11.808 -14.349 1.361 1.00 14.42 C ATOM 364 C ALA A 21 -13.000 -13.873 0.554 1.00 35.03 C ATOM 365 O ALA A 21 -12.840 -13.242 -0.484 1.00 72.55 O ATOM 366 CB ALA A 21 -11.677 -15.853 1.259 1.00 1.41 C ATOM 0 H ALA A 21 -11.916 -14.721 3.416 1.00 4.44 H new ATOM 0 HA ALA A 21 -10.910 -13.887 0.951 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.587 -16.140 0.211 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -10.790 -16.179 1.802 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.560 -16.325 1.690 1.00 1.41 H new ATOM 372 N ALA A 22 -14.189 -14.127 1.059 1.00 4.14 N ATOM 373 CA ALA A 22 -15.404 -13.703 0.381 1.00 53.23 C ATOM 374 C ALA A 22 -15.539 -12.182 0.407 1.00 34.22 C ATOM 375 O ALA A 22 -15.976 -11.568 -0.575 1.00 30.41 O ATOM 376 CB ALA A 22 -16.621 -14.357 1.007 1.00 24.13 C ATOM 0 H ALA A 22 -14.344 -14.624 1.936 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.340 -14.020 -0.660 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.520 -14.027 0.486 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.533 -15.441 0.928 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -16.686 -14.074 2.058 1.00 24.13 H new ATOM 382 N LEU A 23 -15.120 -11.584 1.516 1.00 71.12 N ATOM 383 CA LEU A 23 -15.214 -10.141 1.720 1.00 42.20 C ATOM 384 C LEU A 23 -14.299 -9.392 0.749 1.00 63.22 C ATOM 385 O LEU A 23 -14.684 -8.375 0.188 1.00 30.24 O ATOM 386 CB LEU A 23 -14.814 -9.806 3.159 1.00 60.54 C ATOM 387 CG LEU A 23 -15.033 -8.374 3.637 1.00 63.34 C ATOM 388 CD1 LEU A 23 -16.509 -8.013 3.599 1.00 60.14 C ATOM 389 CD2 LEU A 23 -14.481 -8.205 5.047 1.00 50.33 C ATOM 0 H LEU A 23 -14.705 -12.086 2.301 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.242 -9.830 1.535 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -15.365 -10.470 3.824 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -13.756 -10.042 3.277 1.00 60.54 H new ATOM 0 HG LEU A 23 -14.501 -7.699 2.966 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -16.642 -6.988 3.944 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -16.879 -8.103 2.578 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -17.066 -8.689 4.248 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -14.642 -7.180 5.380 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -14.993 -8.890 5.723 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -13.413 -8.424 5.048 1.00 50.33 H new ATOM 401 N LEU A 24 -13.117 -9.927 0.523 1.00 61.11 N ATOM 402 CA LEU A 24 -12.135 -9.305 -0.360 1.00 33.50 C ATOM 403 C LEU A 24 -12.327 -9.768 -1.799 1.00 13.04 C ATOM 404 O LEU A 24 -11.611 -9.319 -2.707 1.00 54.12 O ATOM 405 CB LEU A 24 -10.717 -9.658 0.100 1.00 1.13 C ATOM 406 CG LEU A 24 -10.345 -9.286 1.538 1.00 1.25 C ATOM 407 CD1 LEU A 24 -8.952 -9.783 1.865 1.00 24.05 C ATOM 408 CD2 LEU A 24 -10.433 -7.788 1.753 1.00 43.42 C ATOM 0 H LEU A 24 -12.804 -10.803 0.942 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.278 -8.225 -0.316 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -10.579 -10.733 -0.020 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.011 -9.169 -0.571 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.058 -9.767 2.208 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -8.700 -9.512 2.890 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -8.918 -10.867 1.758 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.234 -9.328 1.183 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.164 -7.552 2.782 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -9.747 -7.282 1.073 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.451 -7.452 1.558 1.00 43.42 H new ATOM 420 N GLU A 25 -13.305 -10.657 -1.996 1.00 45.33 N ATOM 421 CA GLU A 25 -13.634 -11.244 -3.300 1.00 22.43 C ATOM 422 C GLU A 25 -12.449 -12.060 -3.851 1.00 63.31 C ATOM 423 O GLU A 25 -12.216 -12.124 -5.068 1.00 72.53 O ATOM 424 CB GLU A 25 -14.071 -10.152 -4.295 1.00 34.10 C ATOM 425 CG GLU A 25 -15.206 -9.273 -3.781 1.00 74.02 C ATOM 426 CD GLU A 25 -15.710 -8.312 -4.819 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.083 -7.250 -5.036 1.00 54.24 O ATOM 428 OE2 GLU A 25 -16.737 -8.612 -5.456 1.00 73.13 O ATOM 0 H GLU A 25 -13.901 -10.995 -1.241 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.472 -11.928 -3.164 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.213 -9.522 -4.529 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.383 -10.625 -5.226 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.028 -9.906 -3.448 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -14.862 -8.714 -2.911 1.00 74.02 H new ATOM 435 N VAL A 26 -11.745 -12.738 -2.963 1.00 33.53 N ATOM 436 CA VAL A 26 -10.567 -13.514 -3.320 1.00 2.41 C ATOM 437 C VAL A 26 -10.714 -14.948 -2.812 1.00 32.32 C ATOM 438 O VAL A 26 -11.757 -15.312 -2.245 1.00 23.34 O ATOM 439 CB VAL A 26 -9.256 -12.893 -2.737 1.00 63.23 C ATOM 440 CG1 VAL A 26 -8.996 -11.508 -3.309 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.298 -12.837 -1.210 1.00 4.10 C ATOM 0 H VAL A 26 -11.974 -12.767 -1.969 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.490 -13.505 -4.407 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.433 -13.544 -3.033 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.077 -11.105 -2.883 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -8.895 -11.575 -4.392 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -9.829 -10.850 -3.062 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.372 -12.400 -0.836 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.142 -12.225 -0.891 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.410 -13.845 -0.812 1.00 4.10 H new ATOM 451 N SER A 27 -9.716 -15.762 -3.045 1.00 35.42 N ATOM 452 CA SER A 27 -9.708 -17.107 -2.543 1.00 0.14 C ATOM 453 C SER A 27 -9.159 -17.141 -1.116 1.00 54.44 C ATOM 454 O SER A 27 -8.481 -16.199 -0.674 1.00 24.14 O ATOM 455 CB SER A 27 -8.872 -17.988 -3.457 1.00 23.34 C ATOM 456 OG SER A 27 -9.385 -17.967 -4.783 1.00 1.11 O ATOM 0 H SER A 27 -8.890 -15.509 -3.587 1.00 35.42 H new ATOM 0 HA SER A 27 -10.730 -17.486 -2.523 1.00 0.14 H new ATOM 0 HB2 SER A 27 -7.838 -17.643 -3.456 1.00 23.34 H new ATOM 0 HB3 SER A 27 -8.867 -19.011 -3.080 1.00 23.34 H new ATOM 0 HG SER A 27 -8.833 -18.538 -5.356 1.00 1.11 H new ATOM 462 N ARG A 28 -9.475 -18.195 -0.384 1.00 33.45 N ATOM 463 CA ARG A 28 -8.971 -18.360 0.974 1.00 2.32 C ATOM 464 C ARG A 28 -7.455 -18.455 0.984 1.00 72.10 C ATOM 465 O ARG A 28 -6.804 -17.989 1.910 1.00 61.25 O ATOM 466 CB ARG A 28 -9.600 -19.549 1.685 1.00 73.14 C ATOM 467 CG ARG A 28 -11.103 -19.433 1.872 1.00 54.32 C ATOM 468 CD ARG A 28 -11.630 -20.539 2.758 1.00 53.33 C ATOM 469 NE ARG A 28 -11.370 -21.871 2.210 1.00 21.14 N ATOM 470 CZ ARG A 28 -10.825 -22.877 2.891 1.00 13.43 C ATOM 471 NH1 ARG A 28 -10.291 -22.651 4.080 1.00 20.31 N ATOM 472 NH2 ARG A 28 -10.785 -24.089 2.363 1.00 44.34 N ATOM 0 H ARG A 28 -10.079 -18.952 -0.705 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.262 -17.470 1.531 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.384 -20.454 1.118 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.131 -19.665 2.662 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.344 -18.465 2.312 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.597 -19.474 0.901 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.171 -20.460 3.744 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.704 -20.410 2.895 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.624 -22.041 1.237 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -10.298 -21.709 4.471 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -9.872 -23.419 4.605 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -11.172 -24.253 1.434 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -10.367 -24.859 2.885 1.00 44.34 H new ATOM 486 N GLN A 29 -6.904 -19.042 -0.072 1.00 63.51 N ATOM 487 CA GLN A 29 -5.461 -19.147 -0.230 1.00 73.10 C ATOM 488 C GLN A 29 -4.843 -17.754 -0.343 1.00 21.43 C ATOM 489 O GLN A 29 -3.757 -17.518 0.161 1.00 63.01 O ATOM 490 CB GLN A 29 -5.121 -20.032 -1.458 1.00 14.11 C ATOM 491 CG GLN A 29 -3.630 -20.360 -1.678 1.00 34.33 C ATOM 492 CD GLN A 29 -2.822 -19.239 -2.325 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.345 -18.454 -3.135 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.564 -19.145 -1.972 1.00 24.53 N ATOM 0 H GLN A 29 -7.440 -19.455 -0.835 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.033 -19.627 0.650 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -5.667 -20.971 -1.363 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.496 -19.534 -2.352 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.180 -20.606 -0.716 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -3.556 -21.251 -2.302 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.171 -19.808 -1.304 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -0.978 -18.409 -2.365 1.00 24.53 H new ATOM 503 N THR A 30 -5.566 -16.834 -0.959 1.00 21.22 N ATOM 504 CA THR A 30 -5.082 -15.498 -1.162 1.00 0.23 C ATOM 505 C THR A 30 -4.927 -14.784 0.198 1.00 24.14 C ATOM 506 O THR A 30 -3.857 -14.261 0.513 1.00 5.35 O ATOM 507 CB THR A 30 -6.082 -14.718 -2.034 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.570 -15.581 -3.085 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.419 -13.496 -2.656 1.00 50.43 C ATOM 0 H THR A 30 -6.502 -17.001 -1.328 1.00 21.22 H new ATOM 0 HA THR A 30 -4.113 -15.540 -1.660 1.00 0.23 H new ATOM 0 HB THR A 30 -6.908 -14.385 -1.405 1.00 71.41 H new ATOM 0 HG1 THR A 30 -6.941 -15.036 -3.810 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.145 -12.960 -3.268 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.054 -12.839 -1.867 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.583 -13.813 -3.279 1.00 50.43 H new ATOM 517 N ILE A 31 -5.984 -14.805 1.012 1.00 3.24 N ATOM 518 CA ILE A 31 -5.942 -14.164 2.320 1.00 15.23 C ATOM 519 C ILE A 31 -5.010 -14.902 3.301 1.00 54.43 C ATOM 520 O ILE A 31 -4.269 -14.265 4.047 1.00 12.25 O ATOM 521 CB ILE A 31 -7.370 -13.934 2.931 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.295 -13.221 4.294 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.157 -15.228 3.042 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.695 -11.825 4.232 1.00 15.23 C ATOM 0 H ILE A 31 -6.871 -15.256 0.788 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.515 -13.175 2.156 1.00 15.23 H new ATOM 0 HB ILE A 31 -7.905 -13.283 2.239 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.299 -13.155 4.713 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.703 -13.829 4.978 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.138 -15.022 3.470 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.278 -15.667 2.051 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.621 -15.926 3.685 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.678 -11.392 5.232 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.678 -11.883 3.844 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.299 -11.198 3.575 1.00 15.23 H new ATOM 536 N ASN A 32 -5.019 -16.229 3.272 1.00 30.33 N ATOM 537 CA ASN A 32 -4.120 -17.012 4.131 1.00 60.42 C ATOM 538 C ASN A 32 -2.672 -16.770 3.716 1.00 3.24 C ATOM 539 O ASN A 32 -1.765 -16.701 4.548 1.00 13.11 O ATOM 540 CB ASN A 32 -4.470 -18.508 4.130 1.00 64.50 C ATOM 541 CG ASN A 32 -3.646 -19.314 5.137 1.00 24.43 C ATOM 542 OD1 ASN A 32 -2.589 -19.875 4.805 1.00 33.15 O ATOM 543 ND2 ASN A 32 -4.106 -19.362 6.363 1.00 74.02 N ATOM 0 H ASN A 32 -5.628 -16.786 2.673 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.251 -16.674 5.159 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.529 -18.628 4.356 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.310 -18.913 3.131 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -3.592 -19.872 7.081 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -4.978 -18.889 6.599 1.00 74.02 H new ATOM 550 N GLY A 33 -2.467 -16.630 2.416 1.00 32.15 N ATOM 551 CA GLY A 33 -1.177 -16.277 1.887 1.00 62.40 C ATOM 552 C GLY A 33 -0.720 -14.920 2.403 1.00 51.22 C ATOM 553 O GLY A 33 0.481 -14.686 2.568 1.00 73.51 O ATOM 0 H GLY A 33 -3.191 -16.759 1.709 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.447 -17.038 2.164 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.221 -16.258 0.798 1.00 62.40 H new ATOM 557 N ILE A 34 -1.672 -14.016 2.619 1.00 55.13 N ATOM 558 CA ILE A 34 -1.410 -12.713 3.224 1.00 14.23 C ATOM 559 C ILE A 34 -1.087 -12.875 4.717 1.00 12.31 C ATOM 560 O ILE A 34 -0.183 -12.222 5.227 1.00 62.21 O ATOM 561 CB ILE A 34 -2.615 -11.731 3.030 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.813 -11.383 1.542 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.462 -10.459 3.866 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.623 -10.687 0.897 1.00 51.13 C ATOM 0 H ILE A 34 -2.652 -14.167 2.378 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.548 -12.280 2.717 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.506 -12.249 3.385 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.025 -12.300 0.992 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.690 -10.743 1.444 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.321 -9.809 3.699 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.406 -10.722 4.922 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.550 -9.939 3.573 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -1.847 -10.478 -0.149 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.422 -9.751 1.419 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.747 -11.332 0.959 1.00 51.13 H new ATOM 576 N GLU A 35 -1.809 -13.769 5.398 1.00 42.35 N ATOM 577 CA GLU A 35 -1.556 -14.067 6.825 1.00 14.13 C ATOM 578 C GLU A 35 -0.133 -14.542 7.037 1.00 62.12 C ATOM 579 O GLU A 35 0.503 -14.214 8.037 1.00 33.44 O ATOM 580 CB GLU A 35 -2.460 -15.187 7.318 1.00 72.22 C ATOM 581 CG GLU A 35 -3.936 -14.915 7.289 1.00 22.14 C ATOM 582 CD GLU A 35 -4.706 -16.102 7.805 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.318 -16.665 8.838 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.754 -16.462 7.227 1.00 14.03 O ATOM 0 H GLU A 35 -2.576 -14.304 4.990 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.746 -13.143 7.370 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.264 -16.074 6.716 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.177 -15.428 8.343 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.161 -14.038 7.895 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.249 -14.687 6.270 1.00 22.14 H new ATOM 591 N LYS A 36 0.372 -15.284 6.085 1.00 72.42 N ATOM 592 CA LYS A 36 1.710 -15.814 6.173 1.00 3.42 C ATOM 593 C LYS A 36 2.680 -14.905 5.428 1.00 64.33 C ATOM 594 O LYS A 36 3.865 -15.221 5.307 1.00 74.05 O ATOM 595 CB LYS A 36 1.759 -17.226 5.571 1.00 71.34 C ATOM 596 CG LYS A 36 0.704 -18.192 6.119 1.00 73.40 C ATOM 597 CD LYS A 36 0.789 -18.389 7.631 1.00 3.32 C ATOM 598 CE LYS A 36 2.099 -19.029 8.058 1.00 11.20 C ATOM 599 NZ LYS A 36 2.118 -19.300 9.506 1.00 30.21 N ATOM 0 H LYS A 36 -0.128 -15.537 5.233 1.00 72.42 H new ATOM 0 HA LYS A 36 1.999 -15.864 7.223 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.636 -17.150 4.491 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.747 -17.649 5.751 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.288 -17.818 5.864 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.817 -19.158 5.627 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.680 -17.425 8.127 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.042 -19.013 7.961 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.247 -19.960 7.510 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.929 -18.371 7.798 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.025 -19.737 9.766 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.001 -18.408 10.028 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.341 -19.947 9.748 1.00 30.21 H new ATOM 613 N ASN A 37 2.145 -13.774 4.924 1.00 21.34 N ATOM 614 CA ASN A 37 2.858 -12.760 4.096 1.00 41.10 C ATOM 615 C ASN A 37 3.696 -13.406 2.993 1.00 30.41 C ATOM 616 O ASN A 37 4.666 -12.829 2.502 1.00 2.25 O ATOM 617 CB ASN A 37 3.689 -11.736 4.943 1.00 42.23 C ATOM 618 CG ASN A 37 4.898 -12.310 5.680 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.796 -12.746 6.829 1.00 64.43 O ATOM 620 ND2 ASN A 37 6.038 -12.305 5.040 1.00 15.22 N ATOM 0 H ASN A 37 1.169 -13.526 5.084 1.00 21.34 H new ATOM 0 HA ASN A 37 2.077 -12.175 3.609 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.034 -10.941 4.282 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.026 -11.276 5.675 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.877 -12.669 5.491 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.088 -11.937 4.090 1.00 15.22 H new ATOM 627 N LYS A 38 3.197 -14.517 2.486 1.00 23.05 N ATOM 628 CA LYS A 38 3.919 -15.338 1.548 1.00 71.21 C ATOM 629 C LYS A 38 3.447 -14.958 0.172 1.00 63.12 C ATOM 630 O LYS A 38 4.142 -15.130 -0.822 1.00 54.40 O ATOM 631 CB LYS A 38 3.603 -16.813 1.829 1.00 54.41 C ATOM 632 CG LYS A 38 4.367 -17.817 0.969 1.00 51.33 C ATOM 633 CD LYS A 38 3.899 -19.244 1.243 1.00 14.11 C ATOM 634 CE LYS A 38 2.439 -19.435 0.841 1.00 53.22 C ATOM 635 NZ LYS A 38 1.926 -20.773 1.192 1.00 30.43 N ATOM 0 H LYS A 38 2.270 -14.874 2.719 1.00 23.05 H new ATOM 0 HA LYS A 38 4.996 -15.192 1.633 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.817 -17.020 2.878 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.535 -16.973 1.684 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.224 -17.580 -0.085 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.435 -17.736 1.172 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.525 -19.946 0.693 1.00 14.11 H new ATOM 0 HD3 LYS A 38 4.020 -19.472 2.302 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.829 -18.676 1.330 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.338 -19.281 -0.233 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 0.931 -20.852 0.898 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 2.489 -21.499 0.705 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 1.995 -20.913 2.220 1.00 30.43 H new ATOM 649 N TYR A 39 2.248 -14.414 0.136 1.00 74.05 N ATOM 650 CA TYR A 39 1.632 -13.975 -1.085 1.00 12.53 C ATOM 651 C TYR A 39 2.248 -12.658 -1.538 1.00 13.41 C ATOM 652 O TYR A 39 2.192 -12.312 -2.714 1.00 2.12 O ATOM 653 CB TYR A 39 0.126 -13.800 -0.855 1.00 73.50 C ATOM 654 CG TYR A 39 -0.631 -13.488 -2.103 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.862 -14.476 -3.015 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.092 -12.206 -2.375 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.531 -14.219 -4.191 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.768 -11.930 -3.539 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.984 -12.939 -4.447 1.00 33.11 C ATOM 660 OH TYR A 39 -2.638 -12.665 -5.626 1.00 24.32 O ATOM 0 H TYR A 39 1.673 -14.266 0.966 1.00 74.05 H new ATOM 0 HA TYR A 39 1.797 -14.720 -1.863 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.275 -14.712 -0.414 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.033 -13.000 -0.132 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.514 -15.478 -2.811 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.916 -11.415 -1.661 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -1.700 -15.010 -4.906 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.126 -10.931 -3.738 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.891 -11.718 -5.647 1.00 24.32 H new ATOM 670 N ASN A 40 2.859 -11.961 -0.580 1.00 43.42 N ATOM 671 CA ASN A 40 3.452 -10.628 -0.766 1.00 41.25 C ATOM 672 C ASN A 40 2.351 -9.590 -1.026 1.00 40.41 C ATOM 673 O ASN A 40 1.596 -9.689 -2.002 1.00 21.44 O ATOM 674 CB ASN A 40 4.523 -10.597 -1.875 1.00 44.44 C ATOM 675 CG ASN A 40 5.266 -9.273 -1.925 1.00 2.30 C ATOM 676 OD1 ASN A 40 4.859 -8.336 -2.607 1.00 64.13 O ATOM 677 ND2 ASN A 40 6.356 -9.190 -1.204 1.00 53.45 N ATOM 0 H ASN A 40 2.960 -12.313 0.372 1.00 43.42 H new ATOM 0 HA ASN A 40 3.969 -10.373 0.159 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.236 -11.405 -1.710 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.049 -10.781 -2.839 1.00 44.44 H new ATOM 0 HD21 ASN A 40 6.898 -8.326 -1.196 1.00 53.45 H new ATOM 0 HD22 ASN A 40 6.663 -9.989 -0.650 1.00 53.45 H new ATOM 684 N PRO A 41 2.217 -8.607 -0.143 1.00 2.41 N ATOM 685 CA PRO A 41 1.161 -7.619 -0.231 1.00 33.40 C ATOM 686 C PRO A 41 1.317 -6.658 -1.414 1.00 61.13 C ATOM 687 O PRO A 41 2.154 -5.751 -1.397 1.00 2.50 O ATOM 688 CB PRO A 41 1.240 -6.852 1.105 1.00 23.24 C ATOM 689 CG PRO A 41 2.192 -7.630 1.953 1.00 52.51 C ATOM 690 CD PRO A 41 3.094 -8.357 1.005 1.00 12.41 C ATOM 0 HA PRO A 41 0.199 -8.102 -0.400 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.593 -5.832 0.952 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.260 -6.783 1.577 1.00 23.24 H new ATOM 0 HG2 PRO A 41 2.763 -6.969 2.605 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.658 -8.329 2.597 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.961 -7.757 0.730 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.472 -9.284 1.436 1.00 12.41 H new ATOM 698 N SER A 42 0.569 -6.917 -2.459 1.00 32.11 N ATOM 699 CA SER A 42 0.460 -6.005 -3.563 1.00 31.54 C ATOM 700 C SER A 42 -0.524 -4.912 -3.131 1.00 35.33 C ATOM 701 O SER A 42 -1.387 -5.178 -2.275 1.00 31.14 O ATOM 702 CB SER A 42 -0.030 -6.767 -4.790 1.00 33.24 C ATOM 703 OG SER A 42 0.826 -7.885 -5.042 1.00 63.24 O ATOM 0 H SER A 42 0.019 -7.769 -2.565 1.00 32.11 H new ATOM 0 HA SER A 42 1.415 -5.551 -3.828 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.053 -7.109 -4.632 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.045 -6.107 -5.657 1.00 33.24 H new ATOM 0 HG SER A 42 0.505 -8.371 -5.830 1.00 63.24 H new ATOM 709 N LEU A 43 -0.432 -3.728 -3.704 1.00 41.22 N ATOM 710 CA LEU A 43 -1.192 -2.597 -3.194 1.00 3.42 C ATOM 711 C LEU A 43 -2.696 -2.776 -3.376 1.00 71.35 C ATOM 712 O LEU A 43 -3.437 -2.503 -2.457 1.00 31.14 O ATOM 713 CB LEU A 43 -0.649 -1.243 -3.733 1.00 34.44 C ATOM 714 CG LEU A 43 -1.180 0.078 -3.082 1.00 23.40 C ATOM 715 CD1 LEU A 43 -2.573 0.457 -3.578 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.170 -0.028 -1.545 1.00 44.53 C ATOM 0 H LEU A 43 0.153 -3.522 -4.514 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.041 -2.565 -2.115 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.436 -1.254 -3.628 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -0.865 -1.199 -4.800 1.00 34.44 H new ATOM 0 HG LEU A 43 -0.501 0.873 -3.390 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -2.893 1.380 -3.095 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -2.548 0.603 -4.658 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.275 -0.341 -3.336 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -1.543 0.901 -1.114 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -1.808 -0.855 -1.233 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.152 -0.205 -1.199 1.00 44.53 H new ATOM 728 N GLN A 44 -3.139 -3.265 -4.531 1.00 2.30 N ATOM 729 CA GLN A 44 -4.572 -3.515 -4.782 1.00 25.44 C ATOM 730 C GLN A 44 -5.147 -4.439 -3.684 1.00 14.52 C ATOM 731 O GLN A 44 -6.175 -4.115 -3.065 1.00 12.34 O ATOM 732 CB GLN A 44 -4.691 -4.153 -6.191 1.00 43.20 C ATOM 733 CG GLN A 44 -6.085 -4.264 -6.840 1.00 23.12 C ATOM 734 CD GLN A 44 -7.029 -5.262 -6.192 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.816 -4.921 -5.329 1.00 21.35 O ATOM 736 NE2 GLN A 44 -6.924 -6.500 -6.582 1.00 45.30 N ATOM 0 H GLN A 44 -2.531 -3.500 -5.316 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.147 -2.590 -4.751 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.057 -3.580 -6.867 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -4.272 -5.158 -6.135 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -6.555 -3.281 -6.821 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -5.958 -4.537 -7.888 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -6.253 -6.751 -7.308 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -7.513 -7.219 -6.161 1.00 45.30 H new ATOM 745 N LEU A 45 -4.465 -5.549 -3.422 1.00 33.52 N ATOM 746 CA LEU A 45 -4.878 -6.478 -2.359 1.00 33.42 C ATOM 747 C LEU A 45 -4.859 -5.805 -0.987 1.00 12.12 C ATOM 748 O LEU A 45 -5.808 -5.926 -0.224 1.00 53.21 O ATOM 749 CB LEU A 45 -4.028 -7.774 -2.329 1.00 75.22 C ATOM 750 CG LEU A 45 -4.232 -8.798 -3.471 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.691 -9.210 -3.589 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.699 -8.291 -4.798 1.00 1.23 C ATOM 0 H LEU A 45 -3.625 -5.833 -3.926 1.00 33.52 H new ATOM 0 HA LEU A 45 -5.903 -6.765 -2.596 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -2.977 -7.485 -2.322 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.225 -8.282 -1.385 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.651 -9.682 -3.210 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.801 -9.930 -4.400 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.018 -9.664 -2.654 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.301 -8.331 -3.798 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -3.865 -9.044 -5.568 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.218 -7.372 -5.071 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.631 -8.092 -4.709 1.00 1.23 H new ATOM 764 N ALA A 46 -3.807 -5.056 -0.717 1.00 72.35 N ATOM 765 CA ALA A 46 -3.635 -4.358 0.561 1.00 41.10 C ATOM 766 C ALA A 46 -4.742 -3.324 0.775 1.00 44.34 C ATOM 767 O ALA A 46 -5.258 -3.164 1.882 1.00 24.52 O ATOM 768 CB ALA A 46 -2.264 -3.700 0.636 1.00 4.33 C ATOM 0 H ALA A 46 -3.041 -4.908 -1.374 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.705 -5.097 1.359 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.158 -3.188 1.592 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.489 -4.461 0.544 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.162 -2.979 -0.175 1.00 4.33 H new ATOM 774 N LEU A 47 -5.106 -2.658 -0.307 1.00 33.43 N ATOM 775 CA LEU A 47 -6.091 -1.589 -0.330 1.00 23.45 C ATOM 776 C LEU A 47 -7.444 -2.119 0.132 1.00 50.21 C ATOM 777 O LEU A 47 -8.094 -1.519 0.988 1.00 21.23 O ATOM 778 CB LEU A 47 -6.179 -1.134 -1.809 1.00 32.41 C ATOM 779 CG LEU A 47 -6.953 0.133 -2.223 1.00 61.44 C ATOM 780 CD1 LEU A 47 -6.751 0.334 -3.710 1.00 11.43 C ATOM 781 CD2 LEU A 47 -8.453 0.053 -1.931 1.00 70.53 C ATOM 0 H LEU A 47 -4.710 -2.853 -1.227 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.814 -0.768 0.331 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.155 -1.008 -2.162 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.609 -1.964 -2.369 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.566 0.966 -1.636 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -7.288 1.226 -4.033 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -5.688 0.455 -3.920 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -7.131 -0.534 -4.249 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -8.935 0.978 -2.247 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -8.885 -0.786 -2.476 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -8.608 -0.090 -0.862 1.00 70.53 H new ATOM 793 N LYS A 48 -7.855 -3.258 -0.407 1.00 52.33 N ATOM 794 CA LYS A 48 -9.135 -3.819 -0.032 1.00 54.10 C ATOM 795 C LYS A 48 -9.141 -4.328 1.390 1.00 25.41 C ATOM 796 O LYS A 48 -10.140 -4.196 2.089 1.00 42.33 O ATOM 797 CB LYS A 48 -9.685 -4.838 -1.039 1.00 63.32 C ATOM 798 CG LYS A 48 -8.742 -5.956 -1.444 1.00 23.52 C ATOM 799 CD LYS A 48 -9.437 -6.936 -2.380 1.00 64.34 C ATOM 800 CE LYS A 48 -10.033 -6.231 -3.594 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.758 -7.158 -4.476 1.00 33.32 N ATOM 0 H LYS A 48 -7.329 -3.800 -1.092 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.841 -2.990 -0.067 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.585 -5.285 -0.617 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.987 -4.302 -1.939 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.864 -5.537 -1.935 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.390 -6.481 -0.556 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.724 -7.691 -2.711 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.226 -7.459 -1.839 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.711 -5.446 -3.259 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -9.236 -5.745 -4.157 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.570 -6.668 -4.903 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.121 -7.492 -5.227 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.097 -7.971 -3.922 1.00 33.32 H new ATOM 815 N ILE A 49 -8.012 -4.868 1.823 1.00 54.11 N ATOM 816 CA ILE A 49 -7.861 -5.328 3.197 1.00 1.24 C ATOM 817 C ILE A 49 -8.033 -4.141 4.153 1.00 2.41 C ATOM 818 O ILE A 49 -8.772 -4.218 5.131 1.00 64.12 O ATOM 819 CB ILE A 49 -6.472 -6.002 3.419 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.345 -7.254 2.541 1.00 62.35 C ATOM 821 CG2 ILE A 49 -6.260 -6.350 4.889 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.000 -7.947 2.628 1.00 35.31 C ATOM 0 H ILE A 49 -7.184 -4.999 1.242 1.00 54.11 H new ATOM 0 HA ILE A 49 -8.628 -6.076 3.399 1.00 1.24 H new ATOM 0 HB ILE A 49 -5.697 -5.292 3.130 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.124 -7.962 2.825 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.530 -6.975 1.504 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -5.284 -6.819 5.015 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -6.306 -5.441 5.488 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.038 -7.040 5.216 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -4.998 -8.821 1.976 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.215 -7.259 2.314 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -4.818 -8.261 3.656 1.00 35.31 H new ATOM 834 N ALA A 50 -7.413 -3.032 3.799 1.00 44.20 N ATOM 835 CA ALA A 50 -7.475 -1.812 4.582 1.00 11.21 C ATOM 836 C ALA A 50 -8.898 -1.274 4.632 1.00 70.10 C ATOM 837 O ALA A 50 -9.393 -0.857 5.685 1.00 34.45 O ATOM 838 CB ALA A 50 -6.570 -0.771 3.961 1.00 53.40 C ATOM 0 H ALA A 50 -6.848 -2.951 2.954 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.149 -2.034 5.598 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.615 0.147 4.548 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.545 -1.142 3.946 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.897 -0.566 2.942 1.00 53.40 H new ATOM 844 N TYR A 51 -9.536 -1.286 3.489 1.00 50.04 N ATOM 845 CA TYR A 51 -10.864 -0.754 3.315 1.00 11.22 C ATOM 846 C TYR A 51 -11.957 -1.602 3.998 1.00 40.54 C ATOM 847 O TYR A 51 -12.753 -1.073 4.776 1.00 51.22 O ATOM 848 CB TYR A 51 -11.114 -0.598 1.815 1.00 31.54 C ATOM 849 CG TYR A 51 -12.498 -0.191 1.411 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.907 1.134 1.457 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.385 -1.140 0.954 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.178 1.493 1.057 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.652 -0.795 0.547 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.046 0.525 0.600 1.00 45.04 C ATOM 855 OH TYR A 51 -16.311 0.879 0.178 1.00 12.24 O ATOM 0 H TYR A 51 -9.138 -1.675 2.634 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.923 0.215 3.811 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.413 0.141 1.426 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.880 -1.545 1.329 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.224 1.892 1.810 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.079 -2.175 0.915 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.490 2.526 1.102 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.333 -1.552 0.188 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.794 0.078 -0.114 1.00 12.24 H new ATOM 865 N TYR A 52 -11.992 -2.903 3.728 1.00 52.41 N ATOM 866 CA TYR A 52 -13.035 -3.777 4.302 1.00 3.45 C ATOM 867 C TYR A 52 -12.897 -3.954 5.805 1.00 25.43 C ATOM 868 O TYR A 52 -13.881 -4.163 6.501 1.00 40.30 O ATOM 869 CB TYR A 52 -13.097 -5.141 3.611 1.00 51.32 C ATOM 870 CG TYR A 52 -13.663 -5.123 2.204 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.029 -4.993 1.985 1.00 25.42 C ATOM 872 CD2 TYR A 52 -12.842 -5.266 1.107 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.550 -5.009 0.705 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.348 -5.277 -0.168 1.00 0.00 C ATOM 875 CZ TYR A 52 -14.701 -5.153 -0.368 1.00 75.33 C ATOM 876 OH TYR A 52 -15.203 -5.171 -1.651 1.00 10.50 O ATOM 0 H TYR A 52 -11.323 -3.381 3.124 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.976 -3.259 4.117 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.091 -5.560 3.576 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.701 -5.813 4.221 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.694 -4.878 2.828 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -11.777 -5.372 1.254 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.614 -4.909 0.548 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -12.684 -5.383 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.467 -5.279 -2.289 1.00 10.50 H new ATOM 886 N LEU A 53 -11.687 -3.866 6.293 1.00 43.52 N ATOM 887 CA LEU A 53 -11.448 -3.990 7.727 1.00 35.04 C ATOM 888 C LEU A 53 -11.551 -2.631 8.401 1.00 52.42 C ATOM 889 O LEU A 53 -11.565 -2.537 9.634 1.00 34.31 O ATOM 890 CB LEU A 53 -10.083 -4.630 8.020 1.00 34.25 C ATOM 891 CG LEU A 53 -9.893 -6.075 7.537 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.491 -6.560 7.856 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.925 -6.994 8.170 1.00 30.33 C ATOM 0 H LEU A 53 -10.850 -3.710 5.732 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.216 -4.647 8.135 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.310 -4.012 7.563 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.917 -4.604 9.097 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.032 -6.094 6.456 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.373 -7.586 7.507 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.763 -5.921 7.357 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.329 -6.522 8.933 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.772 -8.013 7.814 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.818 -6.969 9.254 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.926 -6.660 7.896 1.00 30.33 H new ATOM 904 N ASN A 54 -11.677 -1.595 7.568 1.00 23.44 N ATOM 905 CA ASN A 54 -11.685 -0.186 7.973 1.00 34.54 C ATOM 906 C ASN A 54 -10.559 0.079 8.963 1.00 23.31 C ATOM 907 O ASN A 54 -10.761 0.213 10.181 1.00 53.04 O ATOM 908 CB ASN A 54 -13.070 0.291 8.496 1.00 0.13 C ATOM 909 CG ASN A 54 -13.178 1.821 8.648 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.203 2.516 8.925 1.00 41.33 O ATOM 911 ND2 ASN A 54 -14.353 2.353 8.463 1.00 61.11 N ATOM 0 H ASN A 54 -11.780 -1.717 6.561 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.503 0.416 7.083 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.846 -0.054 7.812 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -13.265 -0.176 9.461 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -14.475 3.362 8.547 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -15.151 1.760 8.234 1.00 61.11 H new ATOM 918 N THR A 55 -9.382 0.010 8.456 1.00 45.02 N ATOM 919 CA THR A 55 -8.185 0.204 9.202 1.00 24.13 C ATOM 920 C THR A 55 -7.145 0.778 8.259 1.00 75.14 C ATOM 921 O THR A 55 -7.097 0.378 7.094 1.00 45.22 O ATOM 922 CB THR A 55 -7.707 -1.164 9.789 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.655 -1.629 10.768 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.331 -1.072 10.423 1.00 53.13 C ATOM 0 H THR A 55 -9.216 -0.191 7.470 1.00 45.02 H new ATOM 0 HA THR A 55 -8.348 0.888 10.035 1.00 24.13 H new ATOM 0 HB THR A 55 -7.641 -1.868 8.959 1.00 33.24 H new ATOM 0 HG1 THR A 55 -9.411 -1.007 10.813 1.00 22.11 H new ATOM 0 HG21 THR A 55 -6.045 -2.048 10.815 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.606 -0.756 9.674 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.353 -0.346 11.236 1.00 53.13 H new ATOM 932 N PRO A 56 -6.360 1.766 8.702 1.00 2.53 N ATOM 933 CA PRO A 56 -5.301 2.322 7.884 1.00 62.14 C ATOM 934 C PRO A 56 -4.268 1.235 7.595 1.00 22.43 C ATOM 935 O PRO A 56 -3.871 0.493 8.513 1.00 73.34 O ATOM 936 CB PRO A 56 -4.704 3.432 8.763 1.00 52.13 C ATOM 937 CG PRO A 56 -5.132 3.123 10.150 1.00 3.21 C ATOM 938 CD PRO A 56 -6.434 2.405 10.035 1.00 22.03 C ATOM 0 HA PRO A 56 -5.641 2.702 6.920 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.617 3.451 8.684 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -5.063 4.413 8.452 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.391 2.506 10.657 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -5.241 4.036 10.736 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.557 1.667 10.828 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -7.278 3.091 10.105 1.00 22.03 H new ATOM 946 N LEU A 57 -3.843 1.125 6.352 1.00 62.42 N ATOM 947 CA LEU A 57 -2.927 0.073 5.947 1.00 13.13 C ATOM 948 C LEU A 57 -1.612 0.035 6.709 1.00 71.12 C ATOM 949 O LEU A 57 -1.042 -1.031 6.855 1.00 53.41 O ATOM 950 CB LEU A 57 -2.746 -0.043 4.416 1.00 34.12 C ATOM 951 CG LEU A 57 -2.575 1.241 3.579 1.00 42.20 C ATOM 952 CD1 LEU A 57 -1.389 2.079 4.015 1.00 35.04 C ATOM 953 CD2 LEU A 57 -2.424 0.863 2.130 1.00 13.21 C ATOM 0 H LEU A 57 -4.119 1.755 5.599 1.00 62.42 H new ATOM 0 HA LEU A 57 -3.440 -0.838 6.254 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.873 -0.671 4.235 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -3.611 -0.578 4.023 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.464 1.853 3.732 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -1.322 2.968 3.388 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.517 2.377 5.056 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -0.474 1.495 3.915 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -2.302 1.765 1.530 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -1.548 0.226 2.010 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -3.312 0.324 1.800 1.00 13.21 H new ATOM 964 N GLU A 58 -1.149 1.187 7.208 1.00 41.15 N ATOM 965 CA GLU A 58 0.067 1.237 8.046 1.00 25.13 C ATOM 966 C GLU A 58 -0.095 0.391 9.310 1.00 23.31 C ATOM 967 O GLU A 58 0.869 -0.149 9.832 1.00 41.22 O ATOM 968 CB GLU A 58 0.411 2.681 8.440 1.00 25.40 C ATOM 969 CG GLU A 58 0.805 3.569 7.277 1.00 63.30 C ATOM 970 CD GLU A 58 1.034 5.010 7.679 1.00 34.03 C ATOM 971 OE1 GLU A 58 2.169 5.379 8.021 1.00 71.30 O ATOM 972 OE2 GLU A 58 0.074 5.810 7.632 1.00 53.22 O ATOM 0 H GLU A 58 -1.590 2.093 7.051 1.00 41.15 H new ATOM 0 HA GLU A 58 0.882 0.828 7.449 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.449 3.122 8.943 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.228 2.663 9.161 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.714 3.177 6.820 1.00 63.30 H new ATOM 0 HG3 GLU A 58 0.024 3.530 6.517 1.00 63.30 H new ATOM 979 N ASP A 59 -1.317 0.316 9.820 1.00 34.01 N ATOM 980 CA ASP A 59 -1.600 -0.488 11.003 1.00 63.41 C ATOM 981 C ASP A 59 -1.541 -1.970 10.658 1.00 42.14 C ATOM 982 O ASP A 59 -1.035 -2.790 11.423 1.00 72.41 O ATOM 983 CB ASP A 59 -2.963 -0.120 11.615 1.00 22.41 C ATOM 984 CG ASP A 59 -3.258 -0.867 12.909 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.585 -0.595 13.941 1.00 60.45 O ATOM 986 OD2 ASP A 59 -4.184 -1.688 12.946 1.00 14.52 O ATOM 0 H ASP A 59 -2.127 0.801 9.434 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.837 -0.274 11.751 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.991 0.953 11.807 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.749 -0.334 10.891 1.00 22.41 H new ATOM 991 N ILE A 60 -2.050 -2.284 9.484 1.00 25.13 N ATOM 992 CA ILE A 60 -2.116 -3.650 8.997 1.00 73.13 C ATOM 993 C ILE A 60 -0.722 -4.151 8.611 1.00 51.12 C ATOM 994 O ILE A 60 -0.219 -5.135 9.164 1.00 44.15 O ATOM 995 CB ILE A 60 -3.093 -3.798 7.803 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.471 -3.250 8.193 1.00 75.01 C ATOM 997 CG2 ILE A 60 -3.208 -5.272 7.397 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.501 -3.296 7.087 1.00 50.54 C ATOM 0 H ILE A 60 -2.432 -1.595 8.836 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.502 -4.264 9.811 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.710 -3.230 6.955 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.846 -3.818 9.045 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.357 -2.217 8.523 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.897 -5.365 6.557 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.227 -5.647 7.105 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.582 -5.853 8.240 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.444 -2.889 7.451 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.153 -2.704 6.241 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.649 -4.328 6.771 1.00 50.54 H new ATOM 1010 N PHE A 61 -0.094 -3.461 7.686 1.00 35.15 N ATOM 1011 CA PHE A 61 1.213 -3.840 7.220 1.00 22.52 C ATOM 1012 C PHE A 61 2.203 -2.772 7.608 1.00 61.31 C ATOM 1013 O PHE A 61 1.917 -1.590 7.510 1.00 64.35 O ATOM 1014 CB PHE A 61 1.220 -4.009 5.674 1.00 0.12 C ATOM 1015 CG PHE A 61 0.256 -5.036 5.154 1.00 21.33 C ATOM 1016 CD1 PHE A 61 0.506 -6.390 5.315 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.897 -4.647 4.490 1.00 50.52 C ATOM 1018 CE1 PHE A 61 -0.377 -7.333 4.828 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.783 -5.585 4.002 1.00 53.10 C ATOM 1020 CZ PHE A 61 -1.523 -6.929 4.172 1.00 22.32 C ATOM 0 H PHE A 61 -0.475 -2.627 7.240 1.00 35.15 H new ATOM 0 HA PHE A 61 1.486 -4.792 7.675 1.00 22.52 H new ATOM 0 HB2 PHE A 61 0.989 -3.048 5.215 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.227 -4.280 5.356 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.401 -6.711 5.827 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -1.104 -3.596 4.353 1.00 50.52 H new ATOM 0 HE1 PHE A 61 -0.172 -8.385 4.960 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.678 -5.268 3.488 1.00 53.10 H new ATOM 0 HZ PHE A 61 -2.216 -7.665 3.792 1.00 22.32 H new ATOM 1030 N GLN A 62 3.361 -3.180 8.016 1.00 72.24 N ATOM 1031 CA GLN A 62 4.400 -2.254 8.345 1.00 2.15 C ATOM 1032 C GLN A 62 5.589 -2.548 7.481 1.00 41.21 C ATOM 1033 O GLN A 62 6.072 -3.664 7.428 1.00 54.12 O ATOM 1034 CB GLN A 62 4.765 -2.332 9.837 1.00 43.12 C ATOM 1035 CG GLN A 62 5.889 -1.383 10.290 1.00 54.21 C ATOM 1036 CD GLN A 62 5.592 0.087 10.026 1.00 62.30 C ATOM 1037 OE1 GLN A 62 4.986 0.760 10.843 1.00 51.34 O ATOM 1038 NE2 GLN A 62 6.097 0.618 8.934 1.00 41.41 N ATOM 0 H GLN A 62 3.615 -4.161 8.131 1.00 72.24 H new ATOM 0 HA GLN A 62 4.054 -1.237 8.159 1.00 2.15 H new ATOM 0 HB2 GLN A 62 3.872 -2.117 10.424 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.061 -3.355 10.069 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.063 -1.524 11.357 1.00 54.21 H new ATOM 0 HG3 GLN A 62 6.812 -1.656 9.778 1.00 54.21 H new ATOM 0 HE21 GLN A 62 6.599 0.032 8.267 1.00 41.41 H new ATOM 0 HE22 GLN A 62 5.986 1.616 8.754 1.00 41.41 H new ATOM 1047 N TRP A 63 6.025 -1.567 6.804 1.00 13.44 N ATOM 1048 CA TRP A 63 7.138 -1.666 5.916 1.00 61.35 C ATOM 1049 C TRP A 63 8.363 -1.029 6.513 1.00 61.52 C ATOM 1050 O TRP A 63 8.282 0.040 7.118 1.00 24.43 O ATOM 1051 CB TRP A 63 6.768 -1.038 4.580 1.00 14.01 C ATOM 1052 CG TRP A 63 5.901 0.187 4.714 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.296 1.475 4.935 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.474 0.213 4.630 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.198 2.291 5.007 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.070 1.540 4.820 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.500 -0.767 4.415 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 2.737 1.915 4.802 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.179 -0.392 4.398 1.00 3.40 C ATOM 1060 CH2 TRP A 63 1.809 0.937 4.590 1.00 31.53 C ATOM 0 H TRP A 63 5.613 -0.635 6.843 1.00 13.44 H new ATOM 0 HA TRP A 63 7.380 -2.716 5.752 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.681 -0.771 4.047 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.248 -1.777 3.971 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.320 1.802 5.038 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.218 3.297 5.173 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.781 -1.799 4.265 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.443 2.943 4.950 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.416 -1.138 4.233 1.00 3.40 H new ATOM 0 HH2 TRP A 63 0.762 1.200 4.571 1.00 31.53 H new ATOM 1071 N GLN A 64 9.469 -1.705 6.400 1.00 35.50 N ATOM 1072 CA GLN A 64 10.730 -1.219 6.901 1.00 11.44 C ATOM 1073 C GLN A 64 11.802 -1.458 5.844 1.00 30.22 C ATOM 1074 O GLN A 64 12.144 -2.603 5.570 1.00 33.31 O ATOM 1075 CB GLN A 64 11.128 -1.949 8.201 1.00 44.22 C ATOM 1076 CG GLN A 64 10.116 -1.850 9.341 1.00 32.13 C ATOM 1077 CD GLN A 64 10.616 -2.495 10.621 1.00 24.43 C ATOM 1078 OE1 GLN A 64 11.385 -3.455 10.593 1.00 13.50 O ATOM 1079 NE2 GLN A 64 10.206 -1.973 11.747 1.00 53.21 N ATOM 0 H GLN A 64 9.526 -2.620 5.953 1.00 35.50 H new ATOM 0 HA GLN A 64 10.635 -0.155 7.119 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.290 -3.002 7.972 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.081 -1.547 8.547 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.890 -0.801 9.531 1.00 32.13 H new ATOM 0 HG3 GLN A 64 9.184 -2.327 9.038 1.00 32.13 H new ATOM 0 HE21 GLN A 64 9.568 -1.177 11.738 1.00 53.21 H new ATOM 0 HE22 GLN A 64 10.524 -2.362 12.635 1.00 53.21 H new ATOM 1088 N PRO A 65 12.320 -0.395 5.205 1.00 63.05 N ATOM 1089 CA PRO A 65 13.393 -0.519 4.200 1.00 13.14 C ATOM 1090 C PRO A 65 14.711 -0.907 4.875 1.00 44.11 C ATOM 1091 O PRO A 65 15.599 -1.491 4.266 1.00 4.41 O ATOM 1092 CB PRO A 65 13.498 0.896 3.600 1.00 11.15 C ATOM 1093 CG PRO A 65 12.266 1.610 4.053 1.00 34.32 C ATOM 1094 CD PRO A 65 11.896 1.000 5.369 1.00 62.43 C ATOM 0 HA PRO A 65 13.187 -1.284 3.452 1.00 13.14 H new ATOM 0 HB2 PRO A 65 14.397 1.405 3.947 1.00 11.15 H new ATOM 0 HB3 PRO A 65 13.553 0.859 2.512 1.00 11.15 H new ATOM 0 HG2 PRO A 65 12.451 2.679 4.157 1.00 34.32 H new ATOM 0 HG3 PRO A 65 11.460 1.494 3.329 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.409 1.485 6.199 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.827 1.078 5.566 1.00 62.43 H new ATOM 1102 N GLU A 66 14.776 -0.593 6.141 1.00 22.55 N ATOM 1103 CA GLU A 66 15.887 -0.867 7.016 1.00 60.44 C ATOM 1104 C GLU A 66 15.334 -1.063 8.407 1.00 3.22 C ATOM 1105 O GLU A 66 15.014 -2.198 8.752 1.00 11.44 O ATOM 1106 CB GLU A 66 16.937 0.264 6.986 1.00 14.51 C ATOM 1107 CG GLU A 66 17.821 0.291 5.736 1.00 33.32 C ATOM 1108 CD GLU A 66 18.802 -0.872 5.677 1.00 75.24 C ATOM 1109 OE1 GLU A 66 19.910 -0.743 6.229 1.00 24.43 O ATOM 1110 OE2 GLU A 66 18.498 -1.934 5.076 1.00 31.01 O ATOM 1111 OXT GLU A 66 15.136 -0.067 9.136 1.00 0.00 O ATOM 0 H GLU A 66 14.013 -0.112 6.617 1.00 22.55 H new ATOM 0 HA GLU A 66 16.405 -1.766 6.682 1.00 60.44 H new ATOM 0 HB2 GLU A 66 16.421 1.221 7.069 1.00 14.51 H new ATOM 0 HB3 GLU A 66 17.577 0.169 7.863 1.00 14.51 H new ATOM 0 HG2 GLU A 66 17.188 0.270 4.849 1.00 33.32 H new ATOM 0 HG3 GLU A 66 18.376 1.229 5.710 1.00 33.32 H new ATOM 1119 N MET B 67 -11.249 2.637 -8.512 1.00 4.52 N ATOM 1120 CA MET B 67 -10.726 3.777 -9.237 1.00 15.43 C ATOM 1121 C MET B 67 -9.560 4.345 -8.419 1.00 54.41 C ATOM 1122 O MET B 67 -9.724 4.672 -7.232 1.00 33.23 O ATOM 1123 CB MET B 67 -11.839 4.820 -9.412 1.00 32.24 C ATOM 1124 CG MET B 67 -11.675 5.733 -10.623 1.00 0.23 C ATOM 1125 SD MET B 67 -10.195 6.746 -10.600 1.00 54.32 S ATOM 1126 CE MET B 67 -10.365 7.574 -12.175 1.00 74.51 C ATOM 0 HA MET B 67 -10.375 3.494 -10.229 1.00 15.43 H new ATOM 0 HB2 MET B 67 -12.794 4.301 -9.492 1.00 32.24 H new ATOM 0 HB3 MET B 67 -11.885 5.436 -8.514 1.00 32.24 H new ATOM 0 HG2 MET B 67 -11.666 5.121 -11.525 1.00 0.23 H new ATOM 0 HG3 MET B 67 -12.545 6.386 -10.690 1.00 0.23 H new ATOM 0 HE1 MET B 67 -9.522 8.249 -12.324 1.00 74.51 H new ATOM 0 HE2 MET B 67 -10.384 6.834 -12.975 1.00 74.51 H new ATOM 0 HE3 MET B 67 -11.293 8.145 -12.187 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.391 4.411 -9.017 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.203 4.902 -8.332 1.00 32.41 C ATOM 1140 C ILE B 68 -6.904 6.342 -8.752 1.00 45.13 C ATOM 1141 O ILE B 68 -6.913 6.673 -9.951 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.952 4.004 -8.635 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.232 2.528 -8.282 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.707 4.505 -7.892 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -6.589 2.286 -6.824 1.00 54.01 C ATOM 0 H ILE B 68 -8.231 4.130 -9.984 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.405 4.865 -7.262 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.755 4.072 -9.705 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -7.048 2.166 -8.908 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.352 1.935 -8.531 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.860 3.860 -8.125 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.483 5.525 -8.204 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.892 4.487 -6.818 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.769 1.223 -6.665 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.766 2.613 -6.189 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -7.488 2.848 -6.571 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.642 7.189 -7.776 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.302 8.575 -8.010 1.00 25.12 C ATOM 1159 C ILE B 69 -4.925 8.795 -7.391 1.00 13.31 C ATOM 1160 O ILE B 69 -4.723 8.489 -6.228 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.318 9.590 -7.342 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -8.780 9.422 -7.837 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -6.871 11.032 -7.554 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.533 8.234 -7.258 1.00 2.41 C ATOM 0 H ILE B 69 -6.660 6.930 -6.790 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.330 8.763 -9.083 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.310 9.352 -6.278 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -9.333 10.331 -7.600 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -8.769 9.329 -8.923 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -7.587 11.707 -7.085 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -5.888 11.178 -7.107 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -6.819 11.243 -8.622 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.543 8.208 -7.668 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.012 7.312 -7.517 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.584 8.329 -6.173 1.00 2.41 H new ATOM 1176 N ASN B 70 -3.986 9.273 -8.142 1.00 20.22 N ATOM 1177 CA ASN B 70 -2.651 9.492 -7.604 1.00 24.23 C ATOM 1178 C ASN B 70 -2.461 10.954 -7.235 1.00 32.00 C ATOM 1179 O ASN B 70 -2.699 11.843 -8.058 1.00 60.31 O ATOM 1180 CB ASN B 70 -1.590 9.075 -8.623 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.186 9.294 -8.104 1.00 44.33 C ATOM 1182 OD1 ASN B 70 0.072 9.193 -6.916 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.710 9.637 -8.970 1.00 33.01 N ATOM 0 H ASN B 70 -4.101 9.523 -9.124 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.540 8.883 -6.707 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -1.723 8.023 -8.874 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -1.729 9.643 -9.543 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.664 9.832 -8.667 1.00 33.01 H new ATOM 0 HD22 ASN B 70 0.463 9.713 -9.957 1.00 33.01 H new ATOM 1190 N ASN B 71 -1.993 11.198 -6.027 1.00 65.43 N ATOM 1191 CA ASN B 71 -1.795 12.554 -5.519 1.00 54.20 C ATOM 1192 C ASN B 71 -0.315 12.768 -5.226 1.00 74.31 C ATOM 1193 O ASN B 71 0.049 13.709 -4.532 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.582 12.791 -4.206 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.084 12.599 -4.306 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.698 12.807 -5.354 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.688 12.210 -3.210 1.00 62.53 N ATOM 0 H ASN B 71 -1.737 10.466 -5.364 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.154 13.249 -6.278 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.196 12.115 -3.443 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.384 13.806 -3.862 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.698 12.070 -3.207 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.148 12.047 -2.360 1.00 62.53 H new ATOM 1204 N LEU B 72 0.537 11.894 -5.781 1.00 31.42 N ATOM 1205 CA LEU B 72 1.998 11.946 -5.571 1.00 41.12 C ATOM 1206 C LEU B 72 2.531 13.345 -5.873 1.00 32.41 C ATOM 1207 O LEU B 72 3.368 13.863 -5.135 1.00 15.34 O ATOM 1208 CB LEU B 72 2.712 10.864 -6.437 1.00 22.14 C ATOM 1209 CG LEU B 72 4.227 10.585 -6.198 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.615 9.294 -6.877 1.00 11.20 C ATOM 1211 CD2 LEU B 72 5.121 11.698 -6.745 1.00 33.32 C ATOM 0 H LEU B 72 0.237 11.131 -6.388 1.00 31.42 H new ATOM 0 HA LEU B 72 2.211 11.728 -4.525 1.00 41.12 H new ATOM 0 HB2 LEU B 72 2.178 9.924 -6.296 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.590 11.146 -7.483 1.00 22.14 H new ATOM 0 HG LEU B 72 4.373 10.527 -5.119 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.674 9.099 -6.710 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.026 8.475 -6.465 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.425 9.375 -7.947 1.00 11.20 H new ATOM 0 HD21 LEU B 72 6.166 11.454 -6.552 1.00 33.32 H new ATOM 0 HD22 LEU B 72 4.964 11.796 -7.819 1.00 33.32 H new ATOM 0 HD23 LEU B 72 4.872 12.639 -6.254 1.00 33.32 H new ATOM 1223 N LYS B 73 2.030 13.951 -6.938 1.00 14.34 N ATOM 1224 CA LYS B 73 2.424 15.296 -7.317 1.00 42.10 C ATOM 1225 C LYS B 73 2.126 16.295 -6.189 1.00 53.11 C ATOM 1226 O LYS B 73 2.989 17.073 -5.803 1.00 74.22 O ATOM 1227 CB LYS B 73 1.715 15.696 -8.605 1.00 5.41 C ATOM 1228 CG LYS B 73 2.019 17.096 -9.081 1.00 35.52 C ATOM 1229 CD LYS B 73 1.285 17.386 -10.365 1.00 25.45 C ATOM 1230 CE LYS B 73 1.479 18.816 -10.805 1.00 12.21 C ATOM 1231 NZ LYS B 73 0.931 19.780 -9.825 1.00 61.12 N ATOM 0 H LYS B 73 1.343 13.526 -7.560 1.00 14.34 H new ATOM 0 HA LYS B 73 3.500 15.312 -7.491 1.00 42.10 H new ATOM 0 HB2 LYS B 73 1.991 14.992 -9.390 1.00 5.41 H new ATOM 0 HB3 LYS B 73 0.639 15.602 -8.456 1.00 5.41 H new ATOM 0 HG2 LYS B 73 1.728 17.818 -8.318 1.00 35.52 H new ATOM 0 HG3 LYS B 73 3.092 17.210 -9.235 1.00 35.52 H new ATOM 0 HD2 LYS B 73 1.638 16.713 -11.147 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.222 17.187 -10.230 1.00 25.45 H new ATOM 0 HE2 LYS B 73 2.542 19.010 -10.948 1.00 12.21 H new ATOM 0 HE3 LYS B 73 0.995 18.967 -11.770 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 0.805 20.706 -10.282 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 0.013 19.437 -9.477 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 1.590 19.875 -9.026 1.00 61.12 H new ATOM 1245 N LEU B 74 0.932 16.212 -5.633 1.00 3.54 N ATOM 1246 CA LEU B 74 0.493 17.097 -4.556 1.00 24.22 C ATOM 1247 C LEU B 74 1.399 16.917 -3.330 1.00 33.32 C ATOM 1248 O LEU B 74 1.849 17.900 -2.726 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.009 16.802 -4.231 1.00 15.15 C ATOM 1250 CG LEU B 74 -1.784 17.725 -3.236 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.349 17.549 -1.785 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -1.678 19.186 -3.655 1.00 34.11 C ATOM 0 H LEU B 74 0.231 15.526 -5.913 1.00 3.54 H new ATOM 0 HA LEU B 74 0.572 18.140 -4.864 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.554 16.812 -5.175 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.064 15.785 -3.842 1.00 15.15 H new ATOM 0 HG LEU B 74 -2.828 17.415 -3.285 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -1.927 18.219 -1.148 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.520 16.518 -1.476 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -0.289 17.784 -1.692 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.225 19.808 -2.947 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -0.630 19.486 -3.667 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.103 19.311 -4.651 1.00 34.11 H new ATOM 1264 N ILE B 75 1.709 15.672 -3.007 1.00 72.34 N ATOM 1265 CA ILE B 75 2.529 15.361 -1.840 1.00 55.53 C ATOM 1266 C ILE B 75 4.005 15.730 -2.058 1.00 3.21 C ATOM 1267 O ILE B 75 4.671 16.235 -1.139 1.00 40.20 O ATOM 1268 CB ILE B 75 2.365 13.876 -1.334 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.019 13.659 -0.601 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.511 13.478 -0.408 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.235 13.865 -1.417 1.00 1.24 C ATOM 0 H ILE B 75 1.405 14.855 -3.537 1.00 72.34 H new ATOM 0 HA ILE B 75 2.148 15.993 -1.037 1.00 55.53 H new ATOM 0 HB ILE B 75 2.382 13.244 -2.222 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.006 12.643 -0.206 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.984 14.334 0.254 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.370 12.449 -0.076 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.457 13.560 -0.944 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.526 14.140 0.458 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.110 13.684 -0.792 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.262 14.889 -1.791 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.240 13.172 -2.258 1.00 1.24 H new ATOM 1283 N ARG B 76 4.519 15.512 -3.262 1.00 23.44 N ATOM 1284 CA ARG B 76 5.895 15.897 -3.555 1.00 2.23 C ATOM 1285 C ARG B 76 6.026 17.417 -3.488 1.00 61.23 C ATOM 1286 O ARG B 76 7.098 17.936 -3.201 1.00 0.10 O ATOM 1287 CB ARG B 76 6.426 15.333 -4.892 1.00 24.15 C ATOM 1288 CG ARG B 76 5.879 15.977 -6.147 1.00 71.12 C ATOM 1289 CD ARG B 76 6.520 15.378 -7.372 1.00 32.20 C ATOM 1290 NE ARG B 76 6.019 15.964 -8.615 1.00 64.13 N ATOM 1291 CZ ARG B 76 5.942 15.315 -9.774 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.250 14.025 -9.822 1.00 64.25 N ATOM 1293 NH2 ARG B 76 5.538 15.951 -10.873 1.00 51.23 N ATOM 0 H ARG B 76 4.017 15.080 -4.037 1.00 23.44 H new ATOM 0 HA ARG B 76 6.528 15.446 -2.791 1.00 2.23 H new ATOM 0 HB2 ARG B 76 7.511 15.432 -4.900 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.203 14.267 -4.928 1.00 24.15 H new ATOM 0 HG2 ARG B 76 4.799 15.840 -6.191 1.00 71.12 H new ATOM 0 HG3 ARG B 76 6.064 17.051 -6.121 1.00 71.12 H new ATOM 0 HD2 ARG B 76 7.599 15.519 -7.318 1.00 32.20 H new ATOM 0 HD3 ARG B 76 6.339 14.303 -7.383 1.00 32.20 H new ATOM 0 HE ARG B 76 5.708 16.935 -8.592 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.543 13.539 -8.975 1.00 64.25 H new ATOM 0 HH12 ARG B 76 6.194 13.520 -10.706 1.00 64.25 H new ATOM 0 HH21 ARG B 76 5.287 16.938 -10.827 1.00 51.23 H new ATOM 0 HH22 ARG B 76 5.480 15.450 -11.760 1.00 51.23 H new ATOM 1307 N GLU B 77 4.948 18.109 -3.850 1.00 3.43 N ATOM 1308 CA GLU B 77 4.835 19.546 -3.701 1.00 32.25 C ATOM 1309 C GLU B 77 4.709 20.000 -2.242 1.00 23.22 C ATOM 1310 O GLU B 77 5.076 21.129 -1.914 1.00 24.24 O ATOM 1311 CB GLU B 77 3.801 20.151 -4.624 1.00 73.21 C ATOM 1312 CG GLU B 77 4.197 19.967 -6.070 1.00 31.54 C ATOM 1313 CD GLU B 77 3.353 20.735 -7.028 1.00 75.21 C ATOM 1314 OE1 GLU B 77 3.562 21.954 -7.160 1.00 52.20 O ATOM 1315 OE2 GLU B 77 2.516 20.138 -7.719 1.00 73.43 O ATOM 0 H GLU B 77 4.121 17.675 -4.260 1.00 3.43 H new ATOM 0 HA GLU B 77 5.789 19.956 -4.032 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.832 19.685 -4.446 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.689 21.213 -4.405 1.00 73.21 H new ATOM 0 HG2 GLU B 77 5.237 20.270 -6.193 1.00 31.54 H new ATOM 0 HG3 GLU B 77 4.141 18.908 -6.320 1.00 31.54 H new ATOM 1322 N LYS B 78 4.082 19.163 -1.398 1.00 12.34 N ATOM 1323 CA LYS B 78 4.035 19.406 0.067 1.00 0.30 C ATOM 1324 C LYS B 78 5.462 19.505 0.635 1.00 41.03 C ATOM 1325 O LYS B 78 5.719 20.288 1.552 1.00 70.21 O ATOM 1326 CB LYS B 78 3.290 18.268 0.784 1.00 31.15 C ATOM 1327 CG LYS B 78 1.812 18.143 0.454 1.00 63.14 C ATOM 1328 CD LYS B 78 0.998 19.276 1.052 1.00 63.03 C ATOM 1329 CE LYS B 78 1.028 19.251 2.580 1.00 13.30 C ATOM 1330 NZ LYS B 78 0.423 18.016 3.135 1.00 22.43 N ATOM 0 H LYS B 78 3.601 18.314 -1.696 1.00 12.34 H new ATOM 0 HA LYS B 78 3.505 20.344 0.235 1.00 0.30 H new ATOM 0 HB2 LYS B 78 3.780 17.326 0.539 1.00 31.15 H new ATOM 0 HB3 LYS B 78 3.393 18.411 1.860 1.00 31.15 H new ATOM 0 HG2 LYS B 78 1.682 18.135 -0.628 1.00 63.14 H new ATOM 0 HG3 LYS B 78 1.436 17.190 0.828 1.00 63.14 H new ATOM 0 HD2 LYS B 78 1.387 20.230 0.696 1.00 63.03 H new ATOM 0 HD3 LYS B 78 -0.034 19.204 0.707 1.00 63.03 H new ATOM 0 HE2 LYS B 78 2.060 19.333 2.922 1.00 13.30 H new ATOM 0 HE3 LYS B 78 0.494 20.119 2.966 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 0.280 18.129 4.159 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -0.493 17.841 2.675 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 1.057 17.210 2.961 1.00 22.43 H new ATOM 1344 N LYS B 79 6.364 18.685 0.109 1.00 11.23 N ATOM 1345 CA LYS B 79 7.804 18.805 0.380 1.00 71.54 C ATOM 1346 C LYS B 79 8.344 19.601 -0.793 1.00 62.41 C ATOM 1347 O LYS B 79 7.558 20.121 -1.556 1.00 22.21 O ATOM 1348 CB LYS B 79 8.477 17.413 0.404 1.00 24.24 C ATOM 1349 CG LYS B 79 8.006 16.413 1.485 1.00 24.13 C ATOM 1350 CD LYS B 79 8.396 16.812 2.923 1.00 4.22 C ATOM 1351 CE LYS B 79 7.494 17.884 3.527 1.00 44.25 C ATOM 1352 NZ LYS B 79 6.112 17.404 3.741 1.00 54.41 N ATOM 0 H LYS B 79 6.125 17.917 -0.518 1.00 11.23 H new ATOM 0 HA LYS B 79 7.997 19.273 1.345 1.00 71.54 H new ATOM 0 HB2 LYS B 79 8.327 16.950 -0.571 1.00 24.24 H new ATOM 0 HB3 LYS B 79 9.550 17.560 0.526 1.00 24.24 H new ATOM 0 HG2 LYS B 79 6.922 16.316 1.427 1.00 24.13 H new ATOM 0 HG3 LYS B 79 8.426 15.432 1.265 1.00 24.13 H new ATOM 0 HD2 LYS B 79 8.367 15.926 3.557 1.00 4.22 H new ATOM 0 HD3 LYS B 79 9.425 17.172 2.925 1.00 4.22 H new ATOM 0 HE2 LYS B 79 7.913 18.213 4.478 1.00 44.25 H new ATOM 0 HE3 LYS B 79 7.476 18.753 2.869 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 5.605 18.069 4.360 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 5.621 17.340 2.826 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 6.136 16.465 4.188 1.00 54.41 H new ATOM 1366 N LYS B 80 9.608 19.772 -0.986 1.00 71.43 N ATOM 1367 CA LYS B 80 9.993 20.373 -2.228 1.00 32.42 C ATOM 1368 C LYS B 80 10.991 19.484 -2.932 1.00 13.24 C ATOM 1369 O LYS B 80 12.206 19.717 -2.938 1.00 5.54 O ATOM 1370 CB LYS B 80 10.432 21.851 -2.086 1.00 73.24 C ATOM 1371 CG LYS B 80 11.642 22.130 -1.191 1.00 40.21 C ATOM 1372 CD LYS B 80 11.840 23.632 -0.988 1.00 43.22 C ATOM 1373 CE LYS B 80 11.896 24.382 -2.314 1.00 70.42 C ATOM 1374 NZ LYS B 80 12.028 25.839 -2.127 1.00 23.43 N ATOM 0 H LYS B 80 10.360 19.522 -0.343 1.00 71.43 H new ATOM 0 HA LYS B 80 9.114 20.443 -2.869 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.650 22.238 -3.082 1.00 73.24 H new ATOM 0 HB3 LYS B 80 9.586 22.421 -1.701 1.00 73.24 H new ATOM 0 HG2 LYS B 80 11.504 21.644 -0.225 1.00 40.21 H new ATOM 0 HG3 LYS B 80 12.537 21.699 -1.639 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.025 24.027 -0.382 1.00 43.22 H new ATOM 0 HD3 LYS B 80 12.762 23.805 -0.434 1.00 43.22 H new ATOM 0 HE2 LYS B 80 12.738 24.015 -2.901 1.00 70.42 H new ATOM 0 HE3 LYS B 80 10.993 24.172 -2.886 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 12.062 26.306 -3.055 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 11.212 26.195 -1.590 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 12.903 26.044 -1.604 1.00 23.43 H new ATOM 1388 N ILE B 81 10.470 18.394 -3.437 1.00 13.13 N ATOM 1389 CA ILE B 81 11.265 17.383 -4.093 1.00 43.54 C ATOM 1390 C ILE B 81 10.737 17.178 -5.519 1.00 51.30 C ATOM 1391 O ILE B 81 9.521 17.069 -5.724 1.00 65.41 O ATOM 1392 CB ILE B 81 11.189 16.039 -3.306 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.532 16.264 -1.824 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.146 15.021 -3.901 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.401 15.027 -0.961 1.00 1.24 C ATOM 0 H ILE B 81 9.473 18.180 -3.405 1.00 13.13 H new ATOM 0 HA ILE B 81 12.305 17.708 -4.126 1.00 43.54 H new ATOM 0 HB ILE B 81 10.171 15.658 -3.382 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.554 16.637 -1.752 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.880 17.042 -1.426 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.080 14.089 -3.340 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.881 14.837 -4.942 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.165 15.405 -3.848 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.661 15.273 0.069 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.374 14.664 -0.999 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.074 14.253 -1.330 1.00 1.24 H new ATOM 1407 N SER B 82 11.628 17.163 -6.481 1.00 2.42 N ATOM 1408 CA SER B 82 11.264 17.006 -7.874 1.00 41.31 C ATOM 1409 C SER B 82 11.176 15.510 -8.264 1.00 13.21 C ATOM 1410 O SER B 82 11.639 14.643 -7.518 1.00 35.13 O ATOM 1411 CB SER B 82 12.284 17.746 -8.734 1.00 43.33 C ATOM 1412 OG SER B 82 12.360 19.121 -8.351 1.00 71.34 O ATOM 0 H SER B 82 12.631 17.260 -6.322 1.00 2.42 H new ATOM 0 HA SER B 82 10.275 17.433 -8.042 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.263 17.279 -8.630 1.00 43.33 H new ATOM 0 HB3 SER B 82 12.005 17.670 -9.785 1.00 43.33 H new ATOM 0 HG SER B 82 12.972 19.216 -7.592 1.00 71.34 H new ATOM 1418 N GLN B 83 10.612 15.235 -9.440 1.00 45.12 N ATOM 1419 CA GLN B 83 10.378 13.870 -9.946 1.00 65.34 C ATOM 1420 C GLN B 83 11.673 13.053 -10.011 1.00 13.44 C ATOM 1421 O GLN B 83 11.713 11.903 -9.567 1.00 12.11 O ATOM 1422 CB GLN B 83 9.758 13.937 -11.347 1.00 30.22 C ATOM 1423 CG GLN B 83 9.437 12.578 -11.967 1.00 4.43 C ATOM 1424 CD GLN B 83 9.021 12.697 -13.414 1.00 53.31 C ATOM 1425 OE1 GLN B 83 9.856 12.634 -14.325 1.00 72.33 O ATOM 1426 NE2 GLN B 83 7.754 12.860 -13.653 1.00 45.23 N ATOM 0 H GLN B 83 10.298 15.962 -10.083 1.00 45.12 H new ATOM 0 HA GLN B 83 9.699 13.376 -9.252 1.00 65.34 H new ATOM 0 HB2 GLN B 83 8.841 14.524 -11.296 1.00 30.22 H new ATOM 0 HB3 GLN B 83 10.442 14.470 -12.007 1.00 30.22 H new ATOM 0 HG2 GLN B 83 10.311 11.931 -11.894 1.00 4.43 H new ATOM 0 HG3 GLN B 83 8.639 12.100 -11.399 1.00 4.43 H new ATOM 0 HE21 GLN B 83 7.091 12.908 -12.879 1.00 45.23 H new ATOM 0 HE22 GLN B 83 7.423 12.940 -14.614 1.00 45.23 H new ATOM 1435 N SER B 84 12.727 13.651 -10.529 1.00 55.44 N ATOM 1436 CA SER B 84 14.003 12.973 -10.656 1.00 52.11 C ATOM 1437 C SER B 84 14.612 12.704 -9.278 1.00 62.21 C ATOM 1438 O SER B 84 15.277 11.688 -9.064 1.00 10.02 O ATOM 1439 CB SER B 84 14.938 13.804 -11.522 1.00 45.03 C ATOM 1440 OG SER B 84 14.314 14.110 -12.773 1.00 21.34 O ATOM 0 H SER B 84 12.725 14.612 -10.871 1.00 55.44 H new ATOM 0 HA SER B 84 13.850 12.008 -11.138 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.201 14.726 -11.004 1.00 45.03 H new ATOM 0 HB3 SER B 84 15.866 13.259 -11.694 1.00 45.03 H new ATOM 0 HG SER B 84 14.925 14.646 -13.321 1.00 21.34 H new ATOM 1446 N GLU B 85 14.357 13.607 -8.345 1.00 50.43 N ATOM 1447 CA GLU B 85 14.813 13.436 -6.988 1.00 3.23 C ATOM 1448 C GLU B 85 14.068 12.289 -6.325 1.00 41.23 C ATOM 1449 O GLU B 85 14.664 11.531 -5.577 1.00 11.14 O ATOM 1450 CB GLU B 85 14.656 14.708 -6.190 1.00 33.34 C ATOM 1451 CG GLU B 85 15.418 15.883 -6.745 1.00 42.23 C ATOM 1452 CD GLU B 85 15.245 17.101 -5.900 1.00 44.10 C ATOM 1453 OE1 GLU B 85 14.284 17.859 -6.130 1.00 70.32 O ATOM 1454 OE2 GLU B 85 16.063 17.334 -4.995 1.00 64.25 O ATOM 0 H GLU B 85 13.834 14.467 -8.510 1.00 50.43 H new ATOM 0 HA GLU B 85 15.876 13.195 -7.015 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.598 14.965 -6.142 1.00 33.34 H new ATOM 0 HB3 GLU B 85 14.986 14.525 -5.167 1.00 33.34 H new ATOM 0 HG2 GLU B 85 16.477 15.632 -6.810 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.077 16.092 -7.759 1.00 42.23 H new ATOM 1461 N LEU B 86 12.758 12.153 -6.613 1.00 73.22 N ATOM 1462 CA LEU B 86 11.994 10.995 -6.128 1.00 10.22 C ATOM 1463 C LEU B 86 12.612 9.718 -6.646 1.00 65.33 C ATOM 1464 O LEU B 86 12.774 8.764 -5.904 1.00 30.50 O ATOM 1465 CB LEU B 86 10.498 11.026 -6.532 1.00 32.54 C ATOM 1466 CG LEU B 86 9.498 11.706 -5.581 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.592 11.122 -4.182 1.00 52.52 C ATOM 1468 CD2 LEU B 86 9.648 13.209 -5.563 1.00 23.21 C ATOM 0 H LEU B 86 12.219 12.818 -7.168 1.00 73.22 H new ATOM 0 HA LEU B 86 12.036 11.039 -5.040 1.00 10.22 H new ATOM 0 HB2 LEU B 86 10.426 11.522 -7.500 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.171 9.996 -6.676 1.00 32.54 H new ATOM 0 HG LEU B 86 8.500 11.499 -5.968 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.874 11.621 -3.531 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.370 10.055 -4.217 1.00 52.52 H new ATOM 0 HD13 LEU B 86 10.599 11.270 -3.793 1.00 52.52 H new ATOM 0 HD21 LEU B 86 8.919 13.639 -4.876 1.00 23.21 H new ATOM 0 HD22 LEU B 86 10.654 13.470 -5.235 1.00 23.21 H new ATOM 0 HD23 LEU B 86 9.479 13.604 -6.565 1.00 23.21 H new ATOM 1480 N ALA B 87 13.006 9.736 -7.914 1.00 4.44 N ATOM 1481 CA ALA B 87 13.626 8.585 -8.541 1.00 14.42 C ATOM 1482 C ALA B 87 14.887 8.184 -7.788 1.00 35.03 C ATOM 1483 O ALA B 87 15.099 7.013 -7.517 1.00 72.55 O ATOM 1484 CB ALA B 87 13.940 8.865 -10.002 1.00 1.41 C ATOM 0 H ALA B 87 12.904 10.544 -8.528 1.00 4.44 H new ATOM 0 HA ALA B 87 12.921 7.755 -8.502 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.404 7.986 -10.449 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.018 9.099 -10.534 1.00 1.41 H new ATOM 0 HB3 ALA B 87 14.623 9.711 -10.072 1.00 1.41 H new ATOM 1490 N ALA B 88 15.696 9.161 -7.430 1.00 4.14 N ATOM 1491 CA ALA B 88 16.907 8.915 -6.671 1.00 53.23 C ATOM 1492 C ALA B 88 16.601 8.450 -5.241 1.00 34.22 C ATOM 1493 O ALA B 88 17.181 7.467 -4.764 1.00 30.41 O ATOM 1494 CB ALA B 88 17.763 10.167 -6.647 1.00 24.13 C ATOM 0 H ALA B 88 15.534 10.143 -7.655 1.00 4.14 H new ATOM 0 HA ALA B 88 17.453 8.111 -7.164 1.00 53.23 H new ATOM 0 HB1 ALA B 88 18.671 9.976 -6.075 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.028 10.446 -7.667 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.206 10.980 -6.182 1.00 24.13 H new ATOM 1500 N LEU B 89 15.666 9.123 -4.580 1.00 71.12 N ATOM 1501 CA LEU B 89 15.307 8.817 -3.187 1.00 42.20 C ATOM 1502 C LEU B 89 14.736 7.424 -3.036 1.00 63.22 C ATOM 1503 O LEU B 89 14.973 6.754 -2.049 1.00 30.24 O ATOM 1504 CB LEU B 89 14.301 9.831 -2.629 1.00 60.54 C ATOM 1505 CG LEU B 89 14.777 11.277 -2.497 1.00 63.34 C ATOM 1506 CD1 LEU B 89 13.657 12.148 -1.966 1.00 60.14 C ATOM 1507 CD2 LEU B 89 15.986 11.365 -1.583 1.00 50.33 C ATOM 0 H LEU B 89 15.134 9.893 -4.986 1.00 71.12 H new ATOM 0 HA LEU B 89 16.235 8.877 -2.619 1.00 42.20 H new ATOM 0 HB2 LEU B 89 13.419 9.821 -3.270 1.00 60.54 H new ATOM 0 HB3 LEU B 89 13.984 9.487 -1.645 1.00 60.54 H new ATOM 0 HG LEU B 89 15.067 11.634 -3.485 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.007 13.176 -1.876 1.00 60.14 H new ATOM 0 HD12 LEU B 89 12.811 12.112 -2.652 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.346 11.784 -0.987 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.307 12.404 -1.504 1.00 50.33 H new ATOM 0 HD22 LEU B 89 15.722 10.990 -0.594 1.00 50.33 H new ATOM 0 HD23 LEU B 89 16.797 10.764 -1.994 1.00 50.33 H new ATOM 1519 N LEU B 90 13.990 6.989 -4.012 1.00 61.11 N ATOM 1520 CA LEU B 90 13.355 5.685 -3.946 1.00 33.50 C ATOM 1521 C LEU B 90 14.235 4.636 -4.597 1.00 13.04 C ATOM 1522 O LEU B 90 13.944 3.440 -4.515 1.00 54.12 O ATOM 1523 CB LEU B 90 12.027 5.728 -4.700 1.00 1.13 C ATOM 1524 CG LEU B 90 11.086 6.877 -4.360 1.00 1.25 C ATOM 1525 CD1 LEU B 90 9.847 6.809 -5.217 1.00 24.05 C ATOM 1526 CD2 LEU B 90 10.732 6.884 -2.889 1.00 43.42 C ATOM 0 H LEU B 90 13.801 7.512 -4.867 1.00 61.11 H new ATOM 0 HA LEU B 90 13.194 5.431 -2.898 1.00 33.50 H new ATOM 0 HB2 LEU B 90 12.243 5.769 -5.768 1.00 1.13 H new ATOM 0 HB3 LEU B 90 11.501 4.791 -4.517 1.00 1.13 H new ATOM 0 HG LEU B 90 11.602 7.813 -4.573 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.183 7.636 -4.964 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.127 6.878 -6.268 1.00 24.05 H new ATOM 0 HD13 LEU B 90 9.333 5.864 -5.040 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.060 7.716 -2.681 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.241 5.946 -2.629 1.00 43.42 H new ATOM 0 HD23 LEU B 90 11.640 6.994 -2.297 1.00 43.42 H new ATOM 1538 N GLU B 91 15.332 5.096 -5.182 1.00 45.33 N ATOM 1539 CA GLU B 91 16.219 4.307 -6.000 1.00 22.43 C ATOM 1540 C GLU B 91 15.396 3.560 -7.045 1.00 63.31 C ATOM 1541 O GLU B 91 15.207 2.344 -6.974 1.00 72.53 O ATOM 1542 CB GLU B 91 17.102 3.360 -5.170 1.00 34.10 C ATOM 1543 CG GLU B 91 18.457 3.037 -5.808 1.00 74.02 C ATOM 1544 CD GLU B 91 18.372 2.380 -7.175 1.00 63.23 C ATOM 1545 OE1 GLU B 91 18.130 1.158 -7.246 1.00 73.13 O ATOM 1546 OE2 GLU B 91 18.551 3.085 -8.203 1.00 54.24 O ATOM 0 H GLU B 91 15.633 6.066 -5.091 1.00 45.33 H new ATOM 0 HA GLU B 91 16.915 4.976 -6.506 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.273 3.807 -4.191 1.00 34.10 H new ATOM 0 HB3 GLU B 91 16.560 2.429 -5.005 1.00 34.10 H new ATOM 0 HG2 GLU B 91 19.031 3.960 -5.898 1.00 74.02 H new ATOM 0 HG3 GLU B 91 19.012 2.381 -5.138 1.00 74.02 H new ATOM 1553 N VAL B 92 14.808 4.313 -7.920 1.00 33.53 N ATOM 1554 CA VAL B 92 14.036 3.799 -9.014 1.00 2.41 C ATOM 1555 C VAL B 92 14.418 4.573 -10.250 1.00 32.32 C ATOM 1556 O VAL B 92 15.188 5.542 -10.168 1.00 23.34 O ATOM 1557 CB VAL B 92 12.482 3.914 -8.793 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.005 3.038 -7.646 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.053 5.362 -8.563 1.00 4.10 C ATOM 0 H VAL B 92 14.851 5.332 -7.895 1.00 33.53 H new ATOM 0 HA VAL B 92 14.256 2.736 -9.108 1.00 2.41 H new ATOM 0 HB VAL B 92 12.012 3.556 -9.709 1.00 63.23 H new ATOM 0 HG11 VAL B 92 10.927 3.148 -7.528 1.00 12.32 H new ATOM 0 HG12 VAL B 92 12.242 1.996 -7.861 1.00 12.32 H new ATOM 0 HG13 VAL B 92 12.503 3.341 -6.725 1.00 12.32 H new ATOM 0 HG21 VAL B 92 10.974 5.403 -8.414 1.00 4.10 H new ATOM 0 HG22 VAL B 92 12.556 5.755 -7.679 1.00 4.10 H new ATOM 0 HG23 VAL B 92 12.322 5.964 -9.431 1.00 4.10 H new ATOM 1569 N SER B 93 13.928 4.163 -11.359 1.00 35.42 N ATOM 1570 CA SER B 93 14.188 4.847 -12.580 1.00 0.14 C ATOM 1571 C SER B 93 13.188 6.017 -12.732 1.00 54.44 C ATOM 1572 O SER B 93 12.094 5.990 -12.135 1.00 24.14 O ATOM 1573 CB SER B 93 14.026 3.840 -13.707 1.00 23.34 C ATOM 1574 OG SER B 93 14.777 2.655 -13.421 1.00 1.11 O ATOM 0 H SER B 93 13.332 3.341 -11.452 1.00 35.42 H new ATOM 0 HA SER B 93 15.195 5.263 -12.599 1.00 0.14 H new ATOM 0 HB2 SER B 93 12.972 3.590 -13.833 1.00 23.34 H new ATOM 0 HB3 SER B 93 14.365 4.277 -14.646 1.00 23.34 H new ATOM 0 HG SER B 93 14.665 2.012 -14.152 1.00 1.11 H new ATOM 1580 N ARG B 94 13.560 7.044 -13.493 1.00 33.45 N ATOM 1581 CA ARG B 94 12.655 8.162 -13.771 1.00 2.32 C ATOM 1582 C ARG B 94 11.410 7.687 -14.499 1.00 72.10 C ATOM 1583 O ARG B 94 10.317 8.217 -14.287 1.00 61.25 O ATOM 1584 CB ARG B 94 13.356 9.294 -14.527 1.00 73.14 C ATOM 1585 CG ARG B 94 14.199 10.187 -13.627 1.00 54.32 C ATOM 1586 CD ARG B 94 15.036 11.174 -14.418 1.00 53.33 C ATOM 1587 NE ARG B 94 16.136 10.517 -15.138 1.00 21.14 N ATOM 1588 CZ ARG B 94 17.041 11.158 -15.908 1.00 13.43 C ATOM 1589 NH1 ARG B 94 16.907 12.456 -16.180 1.00 20.31 N ATOM 1590 NH2 ARG B 94 18.041 10.484 -16.443 1.00 44.34 N ATOM 0 H ARG B 94 14.479 7.127 -13.928 1.00 33.45 H new ATOM 0 HA ARG B 94 12.342 8.574 -12.812 1.00 2.32 H new ATOM 0 HB2 ARG B 94 13.993 8.865 -15.301 1.00 73.14 H new ATOM 0 HB3 ARG B 94 12.606 9.903 -15.032 1.00 73.14 H new ATOM 0 HG2 ARG B 94 13.546 10.732 -12.945 1.00 54.32 H new ATOM 0 HG3 ARG B 94 14.854 9.567 -13.014 1.00 54.32 H new ATOM 0 HD2 ARG B 94 14.399 11.698 -15.131 1.00 53.33 H new ATOM 0 HD3 ARG B 94 15.444 11.925 -13.742 1.00 53.33 H new ATOM 0 HE ARG B 94 16.222 9.504 -15.050 1.00 21.14 H new ATOM 0 HH11 ARG B 94 16.114 12.976 -15.805 1.00 20.31 H new ATOM 0 HH12 ARG B 94 17.598 12.929 -16.763 1.00 20.31 H new ATOM 0 HH21 ARG B 94 18.129 9.482 -16.274 1.00 44.34 H new ATOM 0 HH22 ARG B 94 18.727 10.965 -17.025 1.00 44.34 H new ATOM 1604 N GLN B 95 11.575 6.665 -15.320 1.00 63.51 N ATOM 1605 CA GLN B 95 10.461 6.037 -16.005 1.00 73.10 C ATOM 1606 C GLN B 95 9.529 5.373 -14.990 1.00 21.43 C ATOM 1607 O GLN B 95 8.309 5.421 -15.128 1.00 63.01 O ATOM 1608 CB GLN B 95 10.984 5.008 -17.018 1.00 14.11 C ATOM 1609 CG GLN B 95 9.907 4.295 -17.825 1.00 34.33 C ATOM 1610 CD GLN B 95 9.010 5.247 -18.594 1.00 13.43 C ATOM 1611 OE1 GLN B 95 9.418 6.344 -18.985 1.00 35.21 O ATOM 1612 NE2 GLN B 95 7.801 4.839 -18.825 1.00 24.53 N ATOM 0 H GLN B 95 12.482 6.249 -15.530 1.00 63.51 H new ATOM 0 HA GLN B 95 9.896 6.797 -16.544 1.00 73.10 H new ATOM 0 HB2 GLN B 95 11.661 5.512 -17.708 1.00 14.11 H new ATOM 0 HB3 GLN B 95 11.571 4.261 -16.484 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.382 3.607 -18.525 1.00 34.33 H new ATOM 0 HG3 GLN B 95 9.296 3.693 -17.152 1.00 34.33 H new ATOM 0 HE21 GLN B 95 7.498 3.926 -18.487 1.00 24.53 H new ATOM 0 HE22 GLN B 95 7.154 5.431 -19.345 1.00 24.53 H new ATOM 1621 N THR B 96 10.118 4.803 -13.956 1.00 21.22 N ATOM 1622 CA THR B 96 9.380 4.137 -12.919 1.00 0.23 C ATOM 1623 C THR B 96 8.567 5.152 -12.100 1.00 24.14 C ATOM 1624 O THR B 96 7.356 5.000 -11.960 1.00 5.35 O ATOM 1625 CB THR B 96 10.355 3.370 -11.996 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.149 2.468 -12.785 1.00 40.00 O ATOM 1627 CG2 THR B 96 9.613 2.591 -10.920 1.00 50.43 C ATOM 0 H THR B 96 11.129 4.793 -13.818 1.00 21.22 H new ATOM 0 HA THR B 96 8.688 3.431 -13.378 1.00 0.23 H new ATOM 0 HB THR B 96 10.996 4.099 -11.499 1.00 71.41 H new ATOM 0 HG1 THR B 96 10.617 1.677 -13.013 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.331 2.065 -10.291 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.031 3.280 -10.308 1.00 50.43 H new ATOM 0 HG23 THR B 96 8.945 1.869 -11.389 1.00 50.43 H new ATOM 1635 N ILE B 97 9.223 6.206 -11.605 1.00 3.24 N ATOM 1636 CA ILE B 97 8.531 7.214 -10.807 1.00 15.23 C ATOM 1637 C ILE B 97 7.458 7.962 -11.622 1.00 54.43 C ATOM 1638 O ILE B 97 6.346 8.166 -11.137 1.00 12.25 O ATOM 1639 CB ILE B 97 9.516 8.206 -10.083 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.761 9.183 -9.172 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.389 8.965 -11.062 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.015 8.513 -8.037 1.00 15.23 C ATOM 0 H ILE B 97 10.219 6.380 -11.742 1.00 3.24 H new ATOM 0 HA ILE B 97 8.014 6.669 -10.018 1.00 15.23 H new ATOM 0 HB ILE B 97 10.171 7.593 -9.464 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.471 9.898 -8.755 1.00 13.20 H new ATOM 0 HG13 ILE B 97 8.052 9.752 -9.774 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.051 9.636 -10.515 1.00 12.10 H new ATOM 0 HG22 ILE B 97 10.985 8.259 -11.641 1.00 12.10 H new ATOM 0 HG23 ILE B 97 9.760 9.546 -11.736 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.507 9.270 -7.439 1.00 15.23 H new ATOM 0 HD12 ILE B 97 7.280 7.819 -8.444 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.720 7.968 -7.410 1.00 15.23 H new ATOM 1654 N ASN B 98 7.782 8.334 -12.861 1.00 30.33 N ATOM 1655 CA ASN B 98 6.806 8.999 -13.730 1.00 60.42 C ATOM 1656 C ASN B 98 5.666 8.039 -14.051 1.00 3.24 C ATOM 1657 O ASN B 98 4.507 8.436 -14.122 1.00 13.11 O ATOM 1658 CB ASN B 98 7.437 9.528 -15.026 1.00 64.50 C ATOM 1659 CG ASN B 98 6.478 10.408 -15.846 1.00 24.43 C ATOM 1660 OD1 ASN B 98 5.652 11.188 -15.179 1.00 33.15 O flip ATOM 1661 ND2 ASN B 98 6.528 10.420 -17.081 1.00 74.02 N flip ATOM 0 H ASN B 98 8.699 8.190 -13.283 1.00 30.33 H new ATOM 0 HA ASN B 98 6.421 9.864 -13.189 1.00 60.42 H new ATOM 0 HB2 ASN B 98 8.329 10.104 -14.780 1.00 64.50 H new ATOM 0 HB3 ASN B 98 7.760 8.685 -15.637 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.178 9.805 -17.571 1.00 74.02 H new ATOM 0 HD22 ASN B 98 5.920 11.045 -17.610 1.00 74.02 H new ATOM 1668 N GLY B 99 6.007 6.777 -14.232 1.00 32.15 N ATOM 1669 CA GLY B 99 5.017 5.757 -14.483 1.00 62.40 C ATOM 1670 C GLY B 99 4.059 5.593 -13.317 1.00 51.22 C ATOM 1671 O GLY B 99 2.866 5.357 -13.519 1.00 73.51 O ATOM 0 H GLY B 99 6.968 6.437 -14.209 1.00 32.15 H new ATOM 0 HA2 GLY B 99 4.454 6.012 -15.381 1.00 62.40 H new ATOM 0 HA3 GLY B 99 5.516 4.808 -14.678 1.00 62.40 H new ATOM 1675 N ILE B 100 4.576 5.674 -12.101 1.00 55.13 N ATOM 1676 CA ILE B 100 3.750 5.622 -10.899 1.00 14.23 C ATOM 1677 C ILE B 100 2.920 6.902 -10.802 1.00 12.31 C ATOM 1678 O ILE B 100 1.745 6.866 -10.458 1.00 62.21 O ATOM 1679 CB ILE B 100 4.620 5.455 -9.608 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.447 4.159 -9.661 1.00 21.05 C ATOM 1681 CG2 ILE B 100 3.768 5.488 -8.345 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.625 2.896 -9.811 1.00 51.13 C ATOM 0 H ILE B 100 5.574 5.777 -11.917 1.00 55.13 H new ATOM 0 HA ILE B 100 3.095 4.754 -10.972 1.00 14.23 H new ATOM 0 HB ILE B 100 5.305 6.302 -9.572 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.147 4.223 -10.494 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.041 4.085 -8.750 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.408 5.369 -7.471 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.244 6.442 -8.284 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.041 4.676 -8.375 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.288 2.031 -9.840 1.00 51.13 H new ATOM 0 HD12 ILE B 100 3.944 2.803 -8.965 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.051 2.943 -10.736 1.00 51.13 H new ATOM 1694 N GLU B 101 3.550 8.014 -11.135 1.00 42.35 N ATOM 1695 CA GLU B 101 2.914 9.325 -11.163 1.00 14.13 C ATOM 1696 C GLU B 101 1.708 9.338 -12.126 1.00 62.12 C ATOM 1697 O GLU B 101 0.686 9.971 -11.849 1.00 33.44 O ATOM 1698 CB GLU B 101 3.946 10.339 -11.623 1.00 72.22 C ATOM 1699 CG GLU B 101 3.512 11.776 -11.563 1.00 22.14 C ATOM 1700 CD GLU B 101 4.496 12.663 -12.252 1.00 2.35 C ATOM 1701 OE1 GLU B 101 5.689 12.632 -11.918 1.00 12.42 O ATOM 1702 OE2 GLU B 101 4.101 13.411 -13.137 1.00 14.03 O ATOM 0 H GLU B 101 4.535 8.035 -11.399 1.00 42.35 H new ATOM 0 HA GLU B 101 2.547 9.570 -10.167 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.842 10.222 -11.013 1.00 72.22 H new ATOM 0 HB3 GLU B 101 4.227 10.105 -12.650 1.00 72.22 H new ATOM 0 HG2 GLU B 101 2.532 11.883 -12.029 1.00 22.14 H new ATOM 0 HG3 GLU B 101 3.406 12.084 -10.523 1.00 22.14 H new ATOM 1709 N LYS B 102 1.820 8.621 -13.220 1.00 72.42 N ATOM 1710 CA LYS B 102 0.729 8.501 -14.177 1.00 3.42 C ATOM 1711 C LYS B 102 -0.123 7.273 -13.884 1.00 64.33 C ATOM 1712 O LYS B 102 -1.038 6.950 -14.649 1.00 74.05 O ATOM 1713 CB LYS B 102 1.275 8.413 -15.597 1.00 71.34 C ATOM 1714 CG LYS B 102 1.978 9.668 -16.068 1.00 73.40 C ATOM 1715 CD LYS B 102 2.505 9.483 -17.466 1.00 3.32 C ATOM 1716 CE LYS B 102 3.214 10.730 -17.982 1.00 11.20 C ATOM 1717 NZ LYS B 102 2.301 11.894 -18.129 1.00 30.21 N ATOM 0 H LYS B 102 2.662 8.105 -13.477 1.00 72.42 H new ATOM 0 HA LYS B 102 0.105 9.390 -14.083 1.00 3.42 H new ATOM 0 HB2 LYS B 102 1.971 7.576 -15.656 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.453 8.193 -16.278 1.00 71.34 H new ATOM 0 HG2 LYS B 102 1.287 10.511 -16.042 1.00 73.40 H new ATOM 0 HG3 LYS B 102 2.799 9.908 -15.392 1.00 73.40 H new ATOM 0 HD2 LYS B 102 3.196 8.640 -17.484 1.00 3.32 H new ATOM 0 HD3 LYS B 102 1.680 9.233 -18.134 1.00 3.32 H new ATOM 0 HE2 LYS B 102 4.022 10.992 -17.298 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.672 10.509 -18.946 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 2.807 12.676 -18.593 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 1.481 11.621 -18.707 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 1.976 12.201 -17.190 1.00 30.21 H new ATOM 1731 N ASN B 103 0.192 6.594 -12.763 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.431 5.316 -12.333 1.00 41.10 C ATOM 1733 C ASN B 103 -0.566 4.338 -13.500 1.00 30.41 C ATOM 1734 O ASN B 103 -1.502 3.564 -13.595 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.762 5.501 -11.514 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.943 6.149 -12.246 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.094 7.378 -12.252 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.815 5.343 -12.798 1.00 15.22 N ATOM 0 H ASN B 103 0.904 6.924 -12.112 1.00 21.34 H new ATOM 0 HA ASN B 103 0.258 4.863 -11.620 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -2.080 4.521 -11.158 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.537 6.103 -10.633 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.647 5.723 -13.249 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.662 4.335 -12.777 1.00 15.22 H new ATOM 1745 N LYS B 104 0.461 4.325 -14.324 1.00 23.05 N ATOM 1746 CA LYS B 104 0.496 3.558 -15.550 1.00 71.21 C ATOM 1747 C LYS B 104 1.432 2.368 -15.364 1.00 63.12 C ATOM 1748 O LYS B 104 1.239 1.301 -15.940 1.00 54.40 O ATOM 1749 CB LYS B 104 1.012 4.484 -16.670 1.00 54.41 C ATOM 1750 CG LYS B 104 1.106 3.881 -18.066 1.00 51.33 C ATOM 1751 CD LYS B 104 -0.247 3.464 -18.604 1.00 14.11 C ATOM 1752 CE LYS B 104 -0.154 3.038 -20.065 1.00 53.22 C ATOM 1753 NZ LYS B 104 0.735 1.873 -20.277 1.00 30.43 N ATOM 0 H LYS B 104 1.313 4.860 -14.155 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.494 3.183 -15.810 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.359 5.356 -16.719 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.002 4.842 -16.387 1.00 54.41 H new ATOM 0 HG2 LYS B 104 1.556 4.607 -18.743 1.00 51.33 H new ATOM 0 HG3 LYS B 104 1.768 3.015 -18.042 1.00 51.33 H new ATOM 0 HD2 LYS B 104 -0.640 2.641 -18.007 1.00 14.11 H new ATOM 0 HD3 LYS B 104 -0.950 4.292 -18.508 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -1.152 2.797 -20.431 1.00 53.22 H new ATOM 0 HE3 LYS B 104 0.209 3.877 -20.659 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 0.691 1.579 -21.274 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 1.712 2.134 -20.036 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 0.427 1.086 -19.670 1.00 30.43 H new ATOM 1767 N TYR B 105 2.416 2.558 -14.505 1.00 74.05 N ATOM 1768 CA TYR B 105 3.454 1.567 -14.247 1.00 12.53 C ATOM 1769 C TYR B 105 2.953 0.516 -13.246 1.00 13.41 C ATOM 1770 O TYR B 105 3.550 -0.560 -13.110 1.00 2.12 O ATOM 1771 CB TYR B 105 4.657 2.316 -13.661 1.00 73.50 C ATOM 1772 CG TYR B 105 5.969 1.578 -13.617 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.329 0.799 -12.528 1.00 33.20 C ATOM 1774 CD2 TYR B 105 6.861 1.696 -14.663 1.00 62.14 C ATOM 1775 CE1 TYR B 105 7.541 0.152 -12.489 1.00 1.32 C ATOM 1776 CE2 TYR B 105 8.085 1.059 -14.634 1.00 3.04 C ATOM 1777 CZ TYR B 105 8.419 0.287 -13.544 1.00 33.11 C ATOM 1778 OH TYR B 105 9.644 -0.343 -13.496 1.00 24.32 O ATOM 0 H TYR B 105 2.522 3.413 -13.959 1.00 74.05 H new ATOM 0 HA TYR B 105 3.726 1.048 -15.166 1.00 12.53 H new ATOM 0 HB2 TYR B 105 4.801 3.229 -14.239 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.405 2.619 -12.645 1.00 73.50 H new ATOM 0 HD1 TYR B 105 5.646 0.699 -11.697 1.00 33.20 H new ATOM 0 HD2 TYR B 105 6.597 2.298 -15.520 1.00 62.14 H new ATOM 0 HE1 TYR B 105 7.804 -0.458 -11.638 1.00 1.32 H new ATOM 0 HE2 TYR B 105 8.774 1.165 -15.459 1.00 3.04 H new ATOM 0 HH TYR B 105 10.144 -0.149 -14.316 1.00 24.32 H new ATOM 1788 N ASN B 106 1.834 0.842 -12.588 1.00 43.42 N ATOM 1789 CA ASN B 106 1.222 0.036 -11.510 1.00 41.25 C ATOM 1790 C ASN B 106 2.035 0.145 -10.229 1.00 40.41 C ATOM 1791 O ASN B 106 3.168 -0.342 -10.151 1.00 21.44 O ATOM 1792 CB ASN B 106 0.986 -1.448 -11.903 1.00 44.44 C ATOM 1793 CG ASN B 106 0.364 -2.286 -10.781 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.855 -2.324 -10.636 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.174 -2.994 -10.026 1.00 53.45 N ATOM 0 H ASN B 106 1.311 1.694 -12.791 1.00 43.42 H new ATOM 0 HA ASN B 106 0.232 0.457 -11.336 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.335 -1.485 -12.777 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.937 -1.894 -12.194 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.794 -3.596 -9.295 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.182 -2.941 -10.171 1.00 53.45 H new ATOM 1802 N PRO B 107 1.503 0.831 -9.225 1.00 2.41 N ATOM 1803 CA PRO B 107 2.177 1.002 -7.961 1.00 33.40 C ATOM 1804 C PRO B 107 2.160 -0.270 -7.117 1.00 61.13 C ATOM 1805 O PRO B 107 1.109 -0.706 -6.635 1.00 2.50 O ATOM 1806 CB PRO B 107 1.388 2.128 -7.256 1.00 23.24 C ATOM 1807 CG PRO B 107 0.413 2.629 -8.271 1.00 52.51 C ATOM 1808 CD PRO B 107 0.199 1.501 -9.228 1.00 12.41 C ATOM 0 HA PRO B 107 3.231 1.240 -8.103 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.875 1.752 -6.371 1.00 23.24 H new ATOM 0 HB3 PRO B 107 2.053 2.925 -6.924 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -0.524 2.924 -7.799 1.00 52.51 H new ATOM 0 HG3 PRO B 107 0.802 3.508 -8.785 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.600 0.836 -8.899 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.072 1.858 -10.222 1.00 12.41 H new ATOM 1816 N SER B 108 3.301 -0.894 -7.004 1.00 32.11 N ATOM 1817 CA SER B 108 3.453 -2.010 -6.113 1.00 31.54 C ATOM 1818 C SER B 108 3.650 -1.426 -4.719 1.00 35.33 C ATOM 1819 O SER B 108 4.099 -0.273 -4.601 1.00 31.14 O ATOM 1820 CB SER B 108 4.672 -2.827 -6.516 1.00 33.24 C ATOM 1821 OG SER B 108 4.623 -3.190 -7.892 1.00 63.24 O ATOM 0 H SER B 108 4.144 -0.646 -7.522 1.00 32.11 H new ATOM 0 HA SER B 108 2.584 -2.667 -6.144 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.577 -2.252 -6.322 1.00 33.24 H new ATOM 0 HB3 SER B 108 4.728 -3.726 -5.903 1.00 33.24 H new ATOM 0 HG SER B 108 5.420 -3.712 -8.121 1.00 63.24 H new ATOM 1827 N LEU B 109 3.364 -2.179 -3.685 1.00 41.22 N ATOM 1828 CA LEU B 109 3.439 -1.642 -2.346 1.00 3.42 C ATOM 1829 C LEU B 109 4.893 -1.364 -1.962 1.00 71.35 C ATOM 1830 O LEU B 109 5.158 -0.406 -1.273 1.00 31.14 O ATOM 1831 CB LEU B 109 2.664 -2.534 -1.331 1.00 34.44 C ATOM 1832 CG LEU B 109 2.409 -1.976 0.103 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.644 -2.070 0.989 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.903 -0.525 0.039 1.00 44.53 C ATOM 0 H LEU B 109 3.080 -3.157 -3.742 1.00 41.22 H new ATOM 0 HA LEU B 109 2.932 -0.678 -2.315 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.696 -2.773 -1.771 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.209 -3.472 -1.230 1.00 34.44 H new ATOM 0 HG LEU B 109 1.639 -2.601 0.555 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.415 -1.669 1.976 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.946 -3.113 1.082 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.456 -1.495 0.543 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.731 -0.155 1.050 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.648 0.099 -0.454 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.970 -0.489 -0.524 1.00 44.53 H new ATOM 1846 N GLN B 110 5.842 -2.178 -2.448 1.00 2.30 N ATOM 1847 CA GLN B 110 7.278 -1.901 -2.251 1.00 25.44 C ATOM 1848 C GLN B 110 7.628 -0.499 -2.771 1.00 14.52 C ATOM 1849 O GLN B 110 8.245 0.303 -2.076 1.00 12.34 O ATOM 1850 CB GLN B 110 8.098 -2.949 -3.024 1.00 43.20 C ATOM 1851 CG GLN B 110 9.607 -2.699 -3.064 1.00 23.12 C ATOM 1852 CD GLN B 110 10.296 -2.857 -1.728 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.417 -1.912 -0.958 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.791 -4.024 -1.479 1.00 45.30 N ATOM 0 H GLN B 110 5.646 -3.028 -2.977 1.00 2.30 H new ATOM 0 HA GLN B 110 7.510 -1.949 -1.187 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.920 -3.927 -2.577 1.00 43.20 H new ATOM 0 HB3 GLN B 110 7.727 -2.994 -4.048 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.059 -3.388 -3.777 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.787 -1.691 -3.436 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.667 -4.784 -2.148 1.00 45.30 H new ATOM 0 HE22 GLN B 110 11.306 -4.185 -0.613 1.00 45.30 H new ATOM 1863 N LEU B 111 7.215 -0.227 -3.984 1.00 33.52 N ATOM 1864 CA LEU B 111 7.433 1.069 -4.604 1.00 33.42 C ATOM 1865 C LEU B 111 6.735 2.171 -3.824 1.00 12.12 C ATOM 1866 O LEU B 111 7.305 3.214 -3.584 1.00 53.21 O ATOM 1867 CB LEU B 111 6.984 1.083 -6.087 1.00 75.22 C ATOM 1868 CG LEU B 111 7.847 0.296 -7.108 1.00 12.11 C ATOM 1869 CD1 LEU B 111 7.864 -1.198 -6.824 1.00 72.44 C ATOM 1870 CD2 LEU B 111 7.356 0.556 -8.521 1.00 1.23 C ATOM 0 H LEU B 111 6.718 -0.894 -4.575 1.00 33.52 H new ATOM 0 HA LEU B 111 8.506 1.257 -4.583 1.00 33.42 H new ATOM 0 HB2 LEU B 111 5.968 0.691 -6.134 1.00 75.22 H new ATOM 0 HB3 LEU B 111 6.940 2.122 -6.415 1.00 75.22 H new ATOM 0 HG LEU B 111 8.871 0.654 -7.007 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.482 -1.703 -7.567 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.275 -1.375 -5.830 1.00 72.44 H new ATOM 0 HD13 LEU B 111 6.848 -1.589 -6.871 1.00 72.44 H new ATOM 0 HD21 LEU B 111 7.970 -0.002 -9.228 1.00 1.23 H new ATOM 0 HD22 LEU B 111 6.318 0.236 -8.610 1.00 1.23 H new ATOM 0 HD23 LEU B 111 7.427 1.621 -8.741 1.00 1.23 H new ATOM 1882 N ALA B 112 5.527 1.897 -3.387 1.00 72.35 N ATOM 1883 CA ALA B 112 4.727 2.869 -2.664 1.00 41.10 C ATOM 1884 C ALA B 112 5.270 3.161 -1.255 1.00 44.34 C ATOM 1885 O ALA B 112 5.303 4.319 -0.833 1.00 24.52 O ATOM 1886 CB ALA B 112 3.276 2.409 -2.595 1.00 4.33 C ATOM 0 H ALA B 112 5.068 0.996 -3.521 1.00 72.35 H new ATOM 0 HA ALA B 112 4.785 3.805 -3.219 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.686 3.146 -2.050 1.00 4.33 H new ATOM 0 HB2 ALA B 112 2.880 2.302 -3.605 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.223 1.450 -2.080 1.00 4.33 H new ATOM 1892 N LEU B 113 5.735 2.127 -0.558 1.00 33.43 N ATOM 1893 CA LEU B 113 6.160 2.243 0.838 1.00 23.45 C ATOM 1894 C LEU B 113 7.316 3.213 0.994 1.00 50.21 C ATOM 1895 O LEU B 113 7.343 4.033 1.916 1.00 21.23 O ATOM 1896 CB LEU B 113 6.475 0.832 1.443 1.00 32.41 C ATOM 1897 CG LEU B 113 7.731 0.041 0.968 1.00 61.44 C ATOM 1898 CD1 LEU B 113 9.010 0.493 1.672 1.00 11.43 C ATOM 1899 CD2 LEU B 113 7.527 -1.454 1.159 1.00 70.53 C ATOM 0 H LEU B 113 5.828 1.187 -0.942 1.00 33.43 H new ATOM 0 HA LEU B 113 5.332 2.662 1.410 1.00 23.45 H new ATOM 0 HB2 LEU B 113 6.559 0.954 2.523 1.00 32.41 H new ATOM 0 HB3 LEU B 113 5.606 0.200 1.260 1.00 32.41 H new ATOM 0 HG LEU B 113 7.854 0.255 -0.094 1.00 61.44 H new ATOM 0 HD11 LEU B 113 9.854 -0.091 1.304 1.00 11.43 H new ATOM 0 HD12 LEU B 113 9.183 1.550 1.469 1.00 11.43 H new ATOM 0 HD13 LEU B 113 8.906 0.343 2.747 1.00 11.43 H new ATOM 0 HD21 LEU B 113 8.415 -1.988 0.821 1.00 70.53 H new ATOM 0 HD22 LEU B 113 7.355 -1.666 2.214 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.664 -1.781 0.578 1.00 70.53 H new ATOM 1911 N LYS B 114 8.245 3.146 0.071 1.00 52.33 N ATOM 1912 CA LYS B 114 9.385 4.014 0.093 1.00 54.10 C ATOM 1913 C LYS B 114 8.989 5.455 -0.206 1.00 25.41 C ATOM 1914 O LYS B 114 9.547 6.383 0.375 1.00 42.33 O ATOM 1915 CB LYS B 114 10.522 3.473 -0.782 1.00 63.32 C ATOM 1916 CG LYS B 114 10.149 3.188 -2.225 1.00 23.52 C ATOM 1917 CD LYS B 114 11.232 2.376 -2.916 1.00 64.34 C ATOM 1918 CE LYS B 114 11.362 0.983 -2.296 1.00 3.10 C ATOM 1919 NZ LYS B 114 12.474 0.214 -2.889 1.00 33.32 N ATOM 0 H LYS B 114 8.228 2.490 -0.710 1.00 52.33 H new ATOM 0 HA LYS B 114 9.791 4.031 1.104 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.341 4.192 -0.771 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.899 2.554 -0.333 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.204 2.645 -2.260 1.00 23.52 H new ATOM 0 HG3 LYS B 114 9.997 4.127 -2.758 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.000 2.284 -3.977 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.185 2.900 -2.843 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.520 1.078 -1.222 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.429 0.436 -2.434 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 12.526 -0.723 -2.440 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 12.312 0.100 -3.910 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.368 0.722 -2.735 1.00 33.32 H new ATOM 1933 N ILE B 115 7.988 5.631 -1.075 1.00 54.11 N ATOM 1934 CA ILE B 115 7.474 6.968 -1.407 1.00 1.24 C ATOM 1935 C ILE B 115 6.928 7.607 -0.135 1.00 2.41 C ATOM 1936 O ILE B 115 7.241 8.758 0.187 1.00 64.12 O ATOM 1937 CB ILE B 115 6.323 6.905 -2.464 1.00 62.52 C ATOM 1938 CG1 ILE B 115 6.799 6.237 -3.753 1.00 62.35 C ATOM 1939 CG2 ILE B 115 5.777 8.299 -2.763 1.00 5.22 C ATOM 1940 CD1 ILE B 115 5.719 6.064 -4.807 1.00 35.31 C ATOM 0 H ILE B 115 7.517 4.868 -1.561 1.00 54.11 H new ATOM 0 HA ILE B 115 8.292 7.551 -1.829 1.00 1.24 H new ATOM 0 HB ILE B 115 5.519 6.303 -2.040 1.00 62.52 H new ATOM 0 HG12 ILE B 115 7.611 6.829 -4.176 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.212 5.258 -3.509 1.00 62.35 H new ATOM 0 HG21 ILE B 115 4.978 8.226 -3.501 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.386 8.741 -1.847 1.00 5.22 H new ATOM 0 HG23 ILE B 115 6.577 8.927 -3.155 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.144 5.582 -5.688 1.00 35.31 H new ATOM 0 HD12 ILE B 115 4.916 5.445 -4.407 1.00 35.31 H new ATOM 0 HD13 ILE B 115 5.321 7.040 -5.084 1.00 35.31 H new ATOM 1952 N ALA B 116 6.182 6.810 0.613 1.00 44.20 N ATOM 1953 CA ALA B 116 5.567 7.228 1.863 1.00 11.21 C ATOM 1954 C ALA B 116 6.618 7.682 2.847 1.00 70.10 C ATOM 1955 O ALA B 116 6.492 8.723 3.488 1.00 34.45 O ATOM 1956 CB ALA B 116 4.819 6.066 2.468 1.00 53.40 C ATOM 0 H ALA B 116 5.984 5.841 0.365 1.00 44.20 H new ATOM 0 HA ALA B 116 4.887 8.054 1.652 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.358 6.378 3.405 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.046 5.732 1.777 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.512 5.247 2.660 1.00 53.40 H new ATOM 1962 N TYR B 117 7.652 6.899 2.935 1.00 50.04 N ATOM 1963 CA TYR B 117 8.718 7.113 3.856 1.00 11.22 C ATOM 1964 C TYR B 117 9.578 8.351 3.483 1.00 40.54 C ATOM 1965 O TYR B 117 9.823 9.218 4.330 1.00 51.22 O ATOM 1966 CB TYR B 117 9.539 5.825 3.933 1.00 31.54 C ATOM 1967 CG TYR B 117 10.664 5.840 4.913 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.428 5.856 6.279 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.961 5.830 4.471 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.470 5.865 7.178 1.00 33.41 C ATOM 1971 CE2 TYR B 117 13.017 5.836 5.356 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.765 5.854 6.714 1.00 45.04 C ATOM 1973 OH TYR B 117 13.816 5.868 7.612 1.00 12.24 O ATOM 0 H TYR B 117 7.776 6.073 2.350 1.00 50.04 H new ATOM 0 HA TYR B 117 8.314 7.343 4.842 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.870 5.003 4.186 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.944 5.613 2.944 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.411 5.861 6.643 1.00 73.13 H new ATOM 0 HD2 TYR B 117 12.159 5.817 3.409 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.273 5.881 8.240 1.00 33.41 H new ATOM 0 HE2 TYR B 117 14.033 5.827 4.991 1.00 14.05 H new ATOM 0 HH TYR B 117 14.665 5.856 7.122 1.00 12.24 H new ATOM 1983 N TYR B 118 10.009 8.452 2.230 1.00 52.41 N ATOM 1984 CA TYR B 118 10.863 9.583 1.803 1.00 3.45 C ATOM 1985 C TYR B 118 10.125 10.912 1.706 1.00 25.43 C ATOM 1986 O TYR B 118 10.717 11.971 1.893 1.00 40.30 O ATOM 1987 CB TYR B 118 11.653 9.272 0.530 1.00 51.32 C ATOM 1988 CG TYR B 118 12.726 8.237 0.757 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.957 8.600 1.281 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.507 6.904 0.471 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.936 7.661 1.513 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.472 5.957 0.695 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.691 6.339 1.220 1.00 75.33 C ATOM 1994 OH TYR B 118 15.667 5.398 1.459 1.00 10.50 O ATOM 0 H TYR B 118 9.792 7.781 1.493 1.00 52.41 H new ATOM 0 HA TYR B 118 11.586 9.709 2.609 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.969 8.919 -0.242 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.109 10.188 0.156 1.00 51.32 H new ATOM 0 HD1 TYR B 118 14.151 9.637 1.511 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.555 6.601 0.062 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.890 7.960 1.922 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.281 4.920 0.463 1.00 0.00 H new ATOM 0 HH TYR B 118 15.338 4.512 1.200 1.00 10.50 H new ATOM 2004 N LEU B 119 8.851 10.864 1.423 1.00 43.52 N ATOM 2005 CA LEU B 119 8.062 12.085 1.400 1.00 35.04 C ATOM 2006 C LEU B 119 7.500 12.374 2.781 1.00 52.42 C ATOM 2007 O LEU B 119 6.978 13.458 3.031 1.00 34.31 O ATOM 2008 CB LEU B 119 6.945 12.023 0.351 1.00 34.25 C ATOM 2009 CG LEU B 119 7.405 12.014 -1.114 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.232 11.808 -2.049 1.00 30.33 C ATOM 2011 CD2 LEU B 119 8.134 13.305 -1.453 1.00 73.24 C ATOM 0 H LEU B 119 8.335 10.011 1.207 1.00 43.52 H new ATOM 0 HA LEU B 119 8.722 12.904 1.114 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.352 11.126 0.532 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.285 12.877 0.500 1.00 34.25 H new ATOM 0 HG LEU B 119 8.095 11.181 -1.246 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.585 11.806 -3.080 1.00 30.33 H new ATOM 0 HD12 LEU B 119 5.753 10.854 -1.827 1.00 30.33 H new ATOM 0 HD13 LEU B 119 5.513 12.616 -1.914 1.00 30.33 H new ATOM 0 HD21 LEU B 119 8.452 13.280 -2.495 1.00 73.24 H new ATOM 0 HD22 LEU B 119 7.466 14.152 -1.298 1.00 73.24 H new ATOM 0 HD23 LEU B 119 9.007 13.410 -0.809 1.00 73.24 H new ATOM 2022 N ASN B 120 7.676 11.394 3.677 1.00 23.44 N ATOM 2023 CA ASN B 120 7.162 11.420 5.053 1.00 34.54 C ATOM 2024 C ASN B 120 5.702 11.822 5.057 1.00 23.31 C ATOM 2025 O ASN B 120 5.323 12.921 5.458 1.00 53.04 O ATOM 2026 CB ASN B 120 8.032 12.296 5.981 1.00 0.13 C ATOM 2027 CG ASN B 120 7.576 12.300 7.441 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.808 13.162 7.867 1.00 41.33 O ATOM 2029 ND2 ASN B 120 8.032 11.346 8.209 1.00 61.11 N ATOM 0 H ASN B 120 8.192 10.541 3.460 1.00 23.44 H new ATOM 0 HA ASN B 120 7.225 10.413 5.465 1.00 34.54 H new ATOM 0 HB2 ASN B 120 9.063 11.944 5.934 1.00 0.13 H new ATOM 0 HB3 ASN B 120 8.027 13.320 5.607 1.00 0.13 H new ATOM 0 HD21 ASN B 120 7.752 11.303 9.189 1.00 61.11 H new ATOM 0 HD22 ASN B 120 8.668 10.645 7.828 1.00 61.11 H new ATOM 2036 N THR B 121 4.911 10.981 4.479 1.00 45.02 N ATOM 2037 CA THR B 121 3.513 11.209 4.311 1.00 24.13 C ATOM 2038 C THR B 121 2.834 9.845 4.191 1.00 75.14 C ATOM 2039 O THR B 121 3.377 8.948 3.543 1.00 45.22 O ATOM 2040 CB THR B 121 3.267 12.042 3.008 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.964 13.306 3.079 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.794 12.304 2.789 1.00 53.13 C ATOM 0 H THR B 121 5.228 10.089 4.099 1.00 45.02 H new ATOM 0 HA THR B 121 3.109 11.764 5.157 1.00 24.13 H new ATOM 0 HB THR B 121 3.647 11.456 2.171 1.00 33.24 H new ATOM 0 HG1 THR B 121 4.916 13.166 2.892 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.659 12.884 1.876 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.265 11.355 2.697 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.394 12.862 3.636 1.00 53.13 H new ATOM 2050 N PRO B 122 1.690 9.638 4.854 1.00 2.53 N ATOM 2051 CA PRO B 122 0.957 8.393 4.754 1.00 62.14 C ATOM 2052 C PRO B 122 0.525 8.120 3.309 1.00 22.43 C ATOM 2053 O PRO B 122 0.144 9.042 2.576 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.273 8.606 5.650 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.356 10.072 5.867 1.00 3.21 C ATOM 2056 CD PRO B 122 1.035 10.596 5.758 1.00 22.03 C ATOM 0 HA PRO B 122 1.559 7.536 5.058 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.177 8.228 5.172 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.166 8.075 6.596 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.005 10.538 5.125 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -0.779 10.296 6.846 1.00 3.21 H new ATOM 0 HD2 PRO B 122 1.053 11.608 5.353 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.528 10.633 6.730 1.00 22.03 H new ATOM 2064 N LEU B 123 0.584 6.862 2.920 1.00 62.42 N ATOM 2065 CA LEU B 123 0.204 6.411 1.591 1.00 13.13 C ATOM 2066 C LEU B 123 -1.185 6.823 1.230 1.00 71.12 C ATOM 2067 O LEU B 123 -1.442 7.137 0.094 1.00 53.41 O ATOM 2068 CB LEU B 123 0.320 4.905 1.473 1.00 34.12 C ATOM 2069 CG LEU B 123 1.718 4.363 1.377 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.682 2.859 1.399 1.00 13.21 C ATOM 2071 CD2 LEU B 123 2.361 4.868 0.103 1.00 35.04 C ATOM 0 H LEU B 123 0.903 6.108 3.529 1.00 62.42 H new ATOM 0 HA LEU B 123 0.896 6.888 0.897 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.166 4.453 2.338 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.235 4.585 0.591 1.00 34.12 H new ATOM 0 HG LEU B 123 2.308 4.703 2.228 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.698 2.470 1.329 1.00 13.21 H new ATOM 0 HD12 LEU B 123 1.226 2.520 2.329 1.00 13.21 H new ATOM 0 HD13 LEU B 123 1.096 2.497 0.555 1.00 13.21 H new ATOM 0 HD21 LEU B 123 3.376 4.478 0.028 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.779 4.533 -0.756 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.391 5.957 0.118 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.071 6.816 2.205 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.459 7.220 2.019 1.00 25.13 C ATOM 2084 C GLU B 124 -3.558 8.659 1.518 1.00 23.31 C ATOM 2085 O GLU B 124 -4.484 9.010 0.798 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.201 7.084 3.342 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.085 5.701 3.948 1.00 63.30 C ATOM 2088 CD GLU B 124 -4.819 5.565 5.240 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -4.252 5.884 6.296 1.00 71.30 O ATOM 2090 OE2 GLU B 124 -5.969 5.103 5.230 1.00 53.22 O ATOM 0 H GLU B 124 -1.851 6.528 3.158 1.00 41.15 H new ATOM 0 HA GLU B 124 -3.909 6.572 1.267 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -3.811 7.817 4.048 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.254 7.319 3.187 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -4.469 4.967 3.240 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.032 5.468 4.109 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.645 9.501 1.959 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.587 10.875 1.492 1.00 63.41 C ATOM 2099 C ASP B 125 -2.047 10.939 0.058 1.00 42.14 C ATOM 2100 O ASP B 125 -2.627 11.600 -0.814 1.00 72.41 O ATOM 2101 CB ASP B 125 -1.764 11.756 2.432 1.00 22.41 C ATOM 2102 CG ASP B 125 -1.965 13.230 2.151 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.135 13.656 2.070 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -0.983 13.996 2.096 1.00 14.52 O ATOM 0 H ASP B 125 -1.929 9.258 2.644 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.604 11.267 1.490 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.042 11.543 3.464 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -0.708 11.508 2.329 1.00 22.41 H new ATOM 2109 N ILE B 126 -0.980 10.161 -0.172 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.223 10.148 -1.441 1.00 73.13 C ATOM 2111 C ILE B 126 -1.034 9.501 -2.560 1.00 51.12 C ATOM 2112 O ILE B 126 -1.139 10.034 -3.655 1.00 44.15 O ATOM 2113 CB ILE B 126 1.140 9.411 -1.294 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.948 10.016 -0.139 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.940 9.501 -2.601 1.00 14.41 C ATOM 2116 CD1 ILE B 126 3.279 9.338 0.114 1.00 50.54 C ATOM 0 H ILE B 126 -0.610 9.513 0.524 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.026 11.189 -1.699 1.00 73.13 H new ATOM 0 HB ILE B 126 0.945 8.361 -1.075 1.00 50.03 H new ATOM 0 HG12 ILE B 126 2.125 11.071 -0.349 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.350 9.968 0.771 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.891 8.981 -2.482 1.00 14.41 H new ATOM 0 HG22 ILE B 126 1.372 9.039 -3.408 1.00 14.41 H new ATOM 0 HG23 ILE B 126 2.127 10.548 -2.842 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.784 9.828 0.946 1.00 50.54 H new ATOM 0 HD12 ILE B 126 3.112 8.289 0.358 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.899 9.409 -0.780 1.00 50.54 H new ATOM 2128 N PHE B 127 -1.574 8.359 -2.289 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.403 7.696 -3.241 1.00 22.52 C ATOM 2130 C PHE B 127 -3.800 7.705 -2.721 1.00 61.31 C ATOM 2131 O PHE B 127 -4.037 7.466 -1.536 1.00 64.35 O ATOM 2132 CB PHE B 127 -1.932 6.236 -3.479 1.00 0.12 C ATOM 2133 CG PHE B 127 -0.588 6.113 -4.125 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.470 6.089 -5.504 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.560 6.012 -3.353 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.767 5.969 -6.100 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.798 5.892 -3.945 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.902 5.871 -5.319 1.00 22.32 C ATOM 0 H PHE B 127 -1.454 7.861 -1.407 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.345 8.216 -4.197 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -1.910 5.715 -2.522 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -2.668 5.728 -4.102 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -1.355 6.165 -6.118 1.00 71.31 H new ATOM 0 HD2 PHE B 127 0.482 6.028 -2.276 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.849 5.952 -7.177 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.685 5.815 -3.334 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.872 5.778 -5.785 1.00 22.32 H new ATOM 2148 N GLN B 128 -4.724 7.937 -3.584 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.079 7.970 -3.198 1.00 2.15 C ATOM 2150 C GLN B 128 -6.733 6.784 -3.815 1.00 41.21 C ATOM 2151 O GLN B 128 -6.693 6.592 -5.038 1.00 54.12 O ATOM 2152 CB GLN B 128 -6.724 9.267 -3.671 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.097 9.543 -3.096 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.640 10.863 -3.579 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.389 11.899 -2.976 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.404 10.836 -4.635 1.00 41.41 N ATOM 0 H GLN B 128 -4.557 8.108 -4.575 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.186 7.937 -2.114 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.066 10.097 -3.416 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -6.800 9.243 -4.758 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -8.779 8.742 -3.379 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.043 9.546 -2.007 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.588 9.952 -5.109 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -9.817 11.699 -4.988 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.323 6.001 -3.006 1.00 13.44 N ATOM 2166 CA TRP B 129 -7.910 4.802 -3.451 1.00 61.35 C ATOM 2167 C TRP B 129 -9.353 4.708 -3.107 1.00 61.52 C ATOM 2168 O TRP B 129 -9.764 4.917 -1.957 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.119 3.586 -2.993 1.00 14.01 C ATOM 2170 CG TRP B 129 -6.603 3.660 -1.588 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -7.326 3.687 -0.433 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.230 3.684 -1.203 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -6.483 3.776 0.639 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.190 3.759 0.195 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.028 3.660 -1.912 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -3.998 3.808 0.899 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -2.846 3.704 -1.210 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -2.840 3.779 0.180 1.00 31.53 C ATOM 0 H TRP B 129 -7.415 6.174 -2.005 1.00 13.44 H new ATOM 0 HA TRP B 129 -7.867 4.816 -4.540 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -7.752 2.703 -3.086 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -6.274 3.445 -3.668 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -8.404 3.644 -0.374 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -6.772 3.844 1.615 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.026 3.608 -2.991 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -3.986 3.867 1.977 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -1.908 3.680 -1.745 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -1.895 3.815 0.702 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.110 4.433 -4.110 1.00 35.50 N ATOM 2190 CA GLN B 130 -11.509 4.270 -4.004 1.00 11.44 C ATOM 2191 C GLN B 130 -11.839 2.977 -4.688 1.00 30.22 C ATOM 2192 O GLN B 130 -11.578 2.838 -5.876 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.229 5.438 -4.700 1.00 44.22 C ATOM 2194 CG GLN B 130 -11.839 6.814 -4.167 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.280 7.071 -2.726 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -12.400 6.160 -1.916 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -12.513 8.303 -2.400 1.00 53.21 N ATOM 0 H GLN B 130 -9.755 4.312 -5.059 1.00 35.50 H new ATOM 0 HA GLN B 130 -11.829 4.257 -2.962 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.014 5.399 -5.768 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.305 5.307 -4.586 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -10.756 6.923 -4.230 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.274 7.578 -4.811 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.406 9.043 -3.094 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -12.804 8.533 -1.450 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.378 1.997 -3.966 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.751 0.664 -4.522 1.00 13.14 C ATOM 2208 C PRO B 131 -13.964 0.721 -5.481 1.00 44.11 C ATOM 2209 O PRO B 131 -14.709 -0.257 -5.641 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.098 -0.151 -3.263 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.495 0.619 -2.145 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.636 2.052 -2.531 1.00 62.43 C ATOM 0 HA PRO B 131 -11.948 0.240 -5.125 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.176 -0.252 -3.140 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.688 -1.159 -3.317 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -13.007 0.413 -1.205 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.448 0.351 -2.003 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.630 2.440 -2.308 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.921 2.689 -2.010 1.00 62.43 H new