USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 25:sc= -1.07 USER MOD Set 1.2: A 37 THR OG1 : rot -77:sc= 1.12 USER MOD Set 1.3: A 38 HIS :FLIP no HE2:sc= 0.03 F(o=-1.1,f=0.023) USER MOD Set 1.4: A 134 GLN : amide:sc= -0.0641 X(o=0.023,f=-0.46) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0162 (180deg=-0.0669) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0276) USER MOD Single : A 8 GLN : amide:sc= -0.0675 K(o=-0.068,f=-6.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 29 SER OG : rot 130:sc= 0.294 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -51:sc= 1.75 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -0.0101 (180deg=-0.121) USER MOD Single : A 45 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0823 (180deg=-0.414) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0138 (180deg=-0.274) USER MOD Single : A 50 SER OG : rot -148:sc= -0.13 USER MOD Single : A 55 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.27) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.0251 F(o=-1.1,f=-0.025) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 120:sc= 0.318 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 74:sc= 0.464 USER MOD Single : A 81 TYR OH : rot 130:sc= -0.0608 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 40:sc= 0.0903 USER MOD Single : A 113 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.75) USER MOD Single : A 117 LYS NZ :NH3+ -138:sc= -1.35! (180deg=-4!) USER MOD Single : A 123 MET CE :methyl 160:sc= -0.129 (180deg=-0.655) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -155:sc= -3.01 (180deg=-4.55!) USER MOD Single : A 129 GLN :FLIP amide:sc= -0.446 F(o=-2.4!,f=-0.45) USER MOD Single : A 130 LYS NZ :NH3+ -120:sc= -0.073 (180deg=-0.431) USER MOD Single : A 135 GLN :FLIP amide:sc= -1.14 F(o=-2.4!,f=-1.1) USER MOD Single : A 139 GLN : amide:sc= -0.0567 K(o=-0.057,f=-2.9!) USER MOD Single : A 141 SER OG : rot -78:sc= 0.69 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= -0.316 K(o=-0.32,f=-1.6) USER MOD Single : A 151 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 154 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.033) USER MOD Single : A 155 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.670 40.371 3.603 1.00 0.00 N ATOM 2 CA MET A 1 -0.735 40.073 2.142 1.00 52.33 C ATOM 3 C MET A 1 -1.057 38.592 1.891 1.00 53.33 C ATOM 4 O MET A 1 -0.774 37.738 2.729 1.00 10.34 O ATOM 5 CB MET A 1 0.597 40.429 1.462 1.00 72.35 C ATOM 6 CG MET A 1 0.997 41.892 1.607 1.00 23.11 C ATOM 7 SD MET A 1 -0.256 43.021 0.967 1.00 11.21 S ATOM 8 CE MET A 1 0.567 44.596 1.191 1.00 71.22 C ATOM 0 H1 MET A 1 -1.258 41.203 3.814 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.022 39.553 4.140 1.00 0.00 H new ATOM 0 H3 MET A 1 0.315 40.565 3.874 1.00 0.00 H new ATOM 0 HA MET A 1 -1.534 40.681 1.716 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.385 39.804 1.882 1.00 72.35 H new ATOM 0 HB3 MET A 1 0.528 40.185 0.402 1.00 72.35 H new ATOM 0 HG2 MET A 1 1.176 42.113 2.659 1.00 23.11 H new ATOM 0 HG3 MET A 1 1.936 42.062 1.081 1.00 23.11 H new ATOM 0 HE1 MET A 1 -0.082 45.399 0.841 1.00 71.22 H new ATOM 0 HE2 MET A 1 0.789 44.744 2.248 1.00 71.22 H new ATOM 0 HE3 MET A 1 1.496 44.606 0.621 1.00 71.22 H new ATOM 20 N GLY A 2 -1.656 38.295 0.736 1.00 42.31 N ATOM 21 CA GLY A 2 -1.966 36.911 0.381 1.00 14.20 C ATOM 22 C GLY A 2 -3.148 36.340 1.160 1.00 11.23 C ATOM 23 O GLY A 2 -2.985 35.840 2.277 1.00 3.21 O ATOM 0 H GLY A 2 -1.933 38.986 0.039 1.00 42.31 H new ATOM 0 HA2 GLY A 2 -2.182 36.856 -0.686 1.00 14.20 H new ATOM 0 HA3 GLY A 2 -1.088 36.291 0.561 1.00 14.20 H new ATOM 27 N PHE A 3 -4.341 36.410 0.572 1.00 34.40 N ATOM 28 CA PHE A 3 -5.555 35.899 1.215 1.00 34.30 C ATOM 29 C PHE A 3 -5.556 34.365 1.269 1.00 42.15 C ATOM 30 O PHE A 3 -4.803 33.703 0.552 1.00 54.20 O ATOM 31 CB PHE A 3 -6.802 36.419 0.490 1.00 23.14 C ATOM 32 CG PHE A 3 -6.980 37.910 0.625 1.00 45.14 C ATOM 33 CD1 PHE A 3 -6.283 38.783 -0.201 1.00 2.14 C ATOM 34 CD2 PHE A 3 -7.827 38.441 1.589 1.00 2.22 C ATOM 35 CE1 PHE A 3 -6.431 40.150 -0.069 1.00 61.35 C ATOM 36 CE2 PHE A 3 -7.976 39.807 1.725 1.00 24.34 C ATOM 37 CZ PHE A 3 -7.277 40.663 0.895 1.00 61.12 C ATOM 0 H PHE A 3 -4.495 36.816 -0.351 1.00 34.40 H new ATOM 0 HA PHE A 3 -5.572 36.264 2.242 1.00 34.30 H new ATOM 0 HB2 PHE A 3 -6.736 36.160 -0.567 1.00 23.14 H new ATOM 0 HB3 PHE A 3 -7.683 35.915 0.887 1.00 23.14 H new ATOM 0 HD1 PHE A 3 -5.618 38.388 -0.955 1.00 2.14 H new ATOM 0 HD2 PHE A 3 -8.376 37.777 2.240 1.00 2.22 H new ATOM 0 HE1 PHE A 3 -5.885 40.818 -0.719 1.00 61.35 H new ATOM 0 HE2 PHE A 3 -8.638 40.206 2.479 1.00 24.34 H new ATOM 0 HZ PHE A 3 -7.392 41.732 1.000 1.00 61.12 H new ATOM 47 N LYS A 4 -6.413 33.802 2.115 1.00 74.53 N ATOM 48 CA LYS A 4 -6.383 32.362 2.387 1.00 15.14 C ATOM 49 C LYS A 4 -7.058 31.533 1.281 1.00 74.40 C ATOM 50 O LYS A 4 -8.260 31.248 1.329 1.00 14.02 O ATOM 51 CB LYS A 4 -7.004 32.047 3.761 1.00 13.32 C ATOM 52 CG LYS A 4 -6.106 32.422 4.942 1.00 24.11 C ATOM 53 CD LYS A 4 -5.918 33.934 5.071 1.00 30.33 C ATOM 54 CE LYS A 4 -4.794 34.291 6.037 1.00 24.24 C ATOM 55 NZ LYS A 4 -5.004 33.712 7.390 1.00 33.02 N ATOM 0 H LYS A 4 -7.134 34.314 2.623 1.00 74.53 H new ATOM 0 HA LYS A 4 -5.333 32.071 2.402 1.00 15.14 H new ATOM 0 HB2 LYS A 4 -7.951 32.579 3.853 1.00 13.32 H new ATOM 0 HB3 LYS A 4 -7.231 30.982 3.812 1.00 13.32 H new ATOM 0 HG2 LYS A 4 -6.539 32.032 5.863 1.00 24.11 H new ATOM 0 HG3 LYS A 4 -5.133 31.946 4.821 1.00 24.11 H new ATOM 0 HD2 LYS A 4 -5.701 34.357 4.090 1.00 30.33 H new ATOM 0 HD3 LYS A 4 -6.848 34.387 5.414 1.00 30.33 H new ATOM 0 HE2 LYS A 4 -3.846 33.934 5.635 1.00 24.24 H new ATOM 0 HE3 LYS A 4 -4.718 35.375 6.117 1.00 24.24 H new ATOM 0 HZ1 LYS A 4 -4.290 34.091 8.044 1.00 33.02 H new ATOM 0 HZ2 LYS A 4 -5.954 33.962 7.731 1.00 33.02 H new ATOM 0 HZ3 LYS A 4 -4.915 32.677 7.342 1.00 33.02 H new ATOM 69 N LEU A 5 -6.272 31.191 0.263 1.00 21.11 N ATOM 70 CA LEU A 5 -6.662 30.198 -0.745 1.00 72.32 C ATOM 71 C LEU A 5 -5.856 28.910 -0.526 1.00 21.24 C ATOM 72 O LEU A 5 -5.015 28.849 0.377 1.00 60.51 O ATOM 73 CB LEU A 5 -6.424 30.729 -2.174 1.00 2.52 C ATOM 74 CG LEU A 5 -7.311 31.908 -2.620 1.00 12.25 C ATOM 75 CD1 LEU A 5 -8.788 31.597 -2.390 1.00 21.53 C ATOM 76 CD2 LEU A 5 -6.905 33.203 -1.919 1.00 34.15 C ATOM 0 H LEU A 5 -5.347 31.592 0.110 1.00 21.11 H new ATOM 0 HA LEU A 5 -7.727 29.993 -0.636 1.00 72.32 H new ATOM 0 HB2 LEU A 5 -5.381 31.035 -2.256 1.00 2.52 H new ATOM 0 HB3 LEU A 5 -6.571 29.906 -2.874 1.00 2.52 H new ATOM 0 HG LEU A 5 -7.161 32.052 -3.690 1.00 12.25 H new ATOM 0 HD11 LEU A 5 -9.393 32.444 -2.713 1.00 21.53 H new ATOM 0 HD12 LEU A 5 -9.067 30.713 -2.963 1.00 21.53 H new ATOM 0 HD13 LEU A 5 -8.960 31.411 -1.330 1.00 21.53 H new ATOM 0 HD21 LEU A 5 -7.549 34.016 -2.255 1.00 34.15 H new ATOM 0 HD22 LEU A 5 -7.007 33.081 -0.841 1.00 34.15 H new ATOM 0 HD23 LEU A 5 -5.868 33.438 -2.161 1.00 34.15 H new ATOM 88 N ARG A 6 -6.094 27.885 -1.343 1.00 3.44 N ATOM 89 CA ARG A 6 -5.368 26.615 -1.198 1.00 75.31 C ATOM 90 C ARG A 6 -5.622 25.674 -2.389 1.00 11.34 C ATOM 91 O ARG A 6 -6.770 25.368 -2.718 1.00 13.10 O ATOM 92 CB ARG A 6 -5.774 25.915 0.113 1.00 73.23 C ATOM 93 CG ARG A 6 -4.597 25.373 0.919 1.00 43.22 C ATOM 94 CD ARG A 6 -5.066 24.531 2.099 1.00 72.24 C ATOM 95 NE ARG A 6 -5.585 23.237 1.663 1.00 10.23 N ATOM 96 CZ ARG A 6 -6.847 22.944 1.523 1.00 41.13 C ATOM 97 NH1 ARG A 6 -7.769 23.797 1.834 1.00 52.44 N ATOM 98 NH2 ARG A 6 -7.183 21.778 1.086 1.00 63.31 N ATOM 0 H ARG A 6 -6.773 27.903 -2.104 1.00 3.44 H new ATOM 0 HA ARG A 6 -4.303 26.848 -1.173 1.00 75.31 H new ATOM 0 HB2 ARG A 6 -6.331 26.619 0.731 1.00 73.23 H new ATOM 0 HB3 ARG A 6 -6.450 25.093 -0.121 1.00 73.23 H new ATOM 0 HG2 ARG A 6 -3.959 24.771 0.272 1.00 43.22 H new ATOM 0 HG3 ARG A 6 -3.991 26.203 1.282 1.00 43.22 H new ATOM 0 HD2 ARG A 6 -4.237 24.377 2.790 1.00 72.24 H new ATOM 0 HD3 ARG A 6 -5.840 25.069 2.646 1.00 72.24 H new ATOM 0 HE ARG A 6 -4.906 22.505 1.452 1.00 10.23 H new ATOM 0 HH11 ARG A 6 -7.513 24.716 2.195 1.00 52.44 H new ATOM 0 HH12 ARG A 6 -8.752 23.551 1.718 1.00 52.44 H new ATOM 0 HH21 ARG A 6 -6.463 21.094 0.853 1.00 63.31 H new ATOM 0 HH22 ARG A 6 -8.168 21.540 0.973 1.00 63.31 H new ATOM 112 N GLY A 7 -4.546 25.208 -3.021 1.00 73.52 N ATOM 113 CA GLY A 7 -4.672 24.285 -4.150 1.00 73.43 C ATOM 114 C GLY A 7 -4.056 22.914 -3.881 1.00 1.31 C ATOM 115 O GLY A 7 -3.283 22.403 -4.692 1.00 42.03 O ATOM 0 H GLY A 7 -3.586 25.451 -2.775 1.00 73.52 H new ATOM 0 HA2 GLY A 7 -5.727 24.160 -4.392 1.00 73.43 H new ATOM 0 HA3 GLY A 7 -4.194 24.725 -5.025 1.00 73.43 H new ATOM 119 N GLN A 8 -4.399 22.312 -2.744 1.00 14.21 N ATOM 120 CA GLN A 8 -3.848 21.002 -2.359 1.00 31.21 C ATOM 121 C GLN A 8 -4.966 20.021 -1.959 1.00 33.35 C ATOM 122 O GLN A 8 -5.859 20.363 -1.180 1.00 61.35 O ATOM 123 CB GLN A 8 -2.845 21.167 -1.204 1.00 12.24 C ATOM 124 CG GLN A 8 -1.681 22.107 -1.526 1.00 43.02 C ATOM 125 CD GLN A 8 -0.657 22.224 -0.402 1.00 52.52 C ATOM 126 OE1 GLN A 8 0.526 22.446 -0.646 1.00 54.43 O ATOM 127 NE2 GLN A 8 -1.099 22.096 0.835 1.00 75.03 N ATOM 0 H GLN A 8 -5.055 22.705 -2.069 1.00 14.21 H new ATOM 0 HA GLN A 8 -3.331 20.586 -3.224 1.00 31.21 H new ATOM 0 HB2 GLN A 8 -3.373 21.544 -0.328 1.00 12.24 H new ATOM 0 HB3 GLN A 8 -2.446 20.188 -0.939 1.00 12.24 H new ATOM 0 HG2 GLN A 8 -1.179 21.754 -2.427 1.00 43.02 H new ATOM 0 HG3 GLN A 8 -2.077 23.098 -1.749 1.00 43.02 H new ATOM 0 HE21 GLN A 8 -2.087 21.912 1.007 1.00 75.03 H new ATOM 0 HE22 GLN A 8 -0.452 22.181 1.619 1.00 75.03 H new ATOM 136 N VAL A 9 -4.915 18.800 -2.503 1.00 33.04 N ATOM 137 CA VAL A 9 -5.931 17.775 -2.220 1.00 3.02 C ATOM 138 C VAL A 9 -5.607 16.975 -0.938 1.00 24.34 C ATOM 139 O VAL A 9 -6.402 16.939 0.003 1.00 10.30 O ATOM 140 CB VAL A 9 -6.110 16.810 -3.431 1.00 14.22 C ATOM 141 CG1 VAL A 9 -4.780 16.196 -3.873 1.00 64.11 C ATOM 142 CG2 VAL A 9 -7.129 15.715 -3.110 1.00 71.12 C ATOM 0 H VAL A 9 -4.181 18.495 -3.143 1.00 33.04 H new ATOM 0 HA VAL A 9 -6.871 18.301 -2.053 1.00 3.02 H new ATOM 0 HB VAL A 9 -6.489 17.404 -4.263 1.00 14.22 H new ATOM 0 HG11 VAL A 9 -4.950 15.530 -4.719 1.00 64.11 H new ATOM 0 HG12 VAL A 9 -4.093 16.989 -4.168 1.00 64.11 H new ATOM 0 HG13 VAL A 9 -4.348 15.630 -3.047 1.00 64.11 H new ATOM 0 HG21 VAL A 9 -7.236 15.054 -3.970 1.00 71.12 H new ATOM 0 HG22 VAL A 9 -6.785 15.139 -2.251 1.00 71.12 H new ATOM 0 HG23 VAL A 9 -8.092 16.170 -2.880 1.00 71.12 H new ATOM 152 N SER A 10 -4.432 16.351 -0.897 1.00 64.15 N ATOM 153 CA SER A 10 -3.992 15.572 0.269 1.00 63.02 C ATOM 154 C SER A 10 -2.715 16.189 0.838 1.00 73.53 C ATOM 155 O SER A 10 -1.690 16.228 0.157 1.00 51.14 O ATOM 156 CB SER A 10 -3.739 14.108 -0.122 1.00 25.13 C ATOM 157 OG SER A 10 -2.751 14.005 -1.142 1.00 71.25 O ATOM 0 H SER A 10 -3.759 16.368 -1.663 1.00 64.15 H new ATOM 0 HA SER A 10 -4.777 15.593 1.025 1.00 63.02 H new ATOM 0 HB2 SER A 10 -3.418 13.546 0.755 1.00 25.13 H new ATOM 0 HB3 SER A 10 -4.669 13.656 -0.467 1.00 25.13 H new ATOM 0 HG SER A 10 -2.162 14.787 -1.107 1.00 71.25 H new ATOM 163 N GLU A 11 -2.766 16.665 2.079 1.00 20.21 N ATOM 164 CA GLU A 11 -1.671 17.473 2.624 1.00 74.20 C ATOM 165 C GLU A 11 -1.450 17.235 4.120 1.00 22.40 C ATOM 166 O GLU A 11 -2.281 16.643 4.808 1.00 44.13 O ATOM 167 CB GLU A 11 -1.972 18.952 2.370 1.00 50.14 C ATOM 168 CG GLU A 11 -3.259 19.430 3.039 1.00 71.53 C ATOM 169 CD GLU A 11 -3.815 20.690 2.411 1.00 63.33 C ATOM 170 OE1 GLU A 11 -3.359 21.795 2.769 1.00 43.10 O ATOM 171 OE2 GLU A 11 -4.707 20.578 1.545 1.00 13.34 O ATOM 0 H GLU A 11 -3.542 16.510 2.722 1.00 20.21 H new ATOM 0 HA GLU A 11 -0.752 17.175 2.119 1.00 74.20 H new ATOM 0 HB2 GLU A 11 -1.138 19.553 2.732 1.00 50.14 H new ATOM 0 HB3 GLU A 11 -2.044 19.122 1.296 1.00 50.14 H new ATOM 0 HG2 GLU A 11 -4.008 18.640 2.981 1.00 71.53 H new ATOM 0 HG3 GLU A 11 -3.067 19.611 4.097 1.00 71.53 H new ATOM 178 N LEU A 12 -0.317 17.731 4.609 1.00 15.53 N ATOM 179 CA LEU A 12 0.087 17.570 6.007 1.00 1.14 C ATOM 180 C LEU A 12 0.955 18.766 6.457 1.00 41.33 C ATOM 181 O LEU A 12 1.630 19.388 5.636 1.00 52.34 O ATOM 182 CB LEU A 12 0.819 16.220 6.189 1.00 14.32 C ATOM 183 CG LEU A 12 1.598 15.712 4.958 1.00 51.42 C ATOM 184 CD1 LEU A 12 2.786 16.613 4.650 1.00 32.22 C ATOM 185 CD2 LEU A 12 2.052 14.267 5.156 1.00 52.12 C ATOM 0 H LEU A 12 0.351 18.258 4.047 1.00 15.53 H new ATOM 0 HA LEU A 12 -0.798 17.557 6.643 1.00 1.14 H new ATOM 0 HB2 LEU A 12 1.514 16.314 7.023 1.00 14.32 H new ATOM 0 HB3 LEU A 12 0.085 15.464 6.469 1.00 14.32 H new ATOM 0 HG LEU A 12 0.923 15.741 4.103 1.00 51.42 H new ATOM 0 HD11 LEU A 12 3.316 16.231 3.778 1.00 32.22 H new ATOM 0 HD12 LEU A 12 2.433 17.624 4.446 1.00 32.22 H new ATOM 0 HD13 LEU A 12 3.461 16.631 5.506 1.00 32.22 H new ATOM 0 HD21 LEU A 12 2.599 13.933 4.274 1.00 52.12 H new ATOM 0 HD22 LEU A 12 2.701 14.206 6.030 1.00 52.12 H new ATOM 0 HD23 LEU A 12 1.181 13.629 5.306 1.00 52.12 H new ATOM 197 N PRO A 13 0.949 19.106 7.766 1.00 11.23 N ATOM 198 CA PRO A 13 1.590 20.343 8.274 1.00 32.10 C ATOM 199 C PRO A 13 3.133 20.369 8.180 1.00 44.22 C ATOM 200 O PRO A 13 3.746 21.418 8.382 1.00 42.44 O ATOM 201 CB PRO A 13 1.145 20.388 9.742 1.00 23.01 C ATOM 202 CG PRO A 13 0.862 18.969 10.102 1.00 75.32 C ATOM 203 CD PRO A 13 0.316 18.328 8.854 1.00 40.13 C ATOM 0 HA PRO A 13 1.290 21.201 7.672 1.00 32.10 H new ATOM 0 HB2 PRO A 13 1.924 20.809 10.378 1.00 23.01 H new ATOM 0 HB3 PRO A 13 0.260 21.011 9.867 1.00 23.01 H new ATOM 0 HG2 PRO A 13 1.767 18.463 10.437 1.00 75.32 H new ATOM 0 HG3 PRO A 13 0.143 18.909 10.919 1.00 75.32 H new ATOM 0 HD2 PRO A 13 0.577 17.271 8.797 1.00 40.13 H new ATOM 0 HD3 PRO A 13 -0.771 18.390 8.813 1.00 40.13 H new ATOM 211 N PHE A 14 3.760 19.233 7.883 1.00 34.34 N ATOM 212 CA PHE A 14 5.233 19.157 7.821 1.00 22.13 C ATOM 213 C PHE A 14 5.752 19.049 6.373 1.00 61.30 C ATOM 214 O PHE A 14 5.208 18.306 5.559 1.00 64.24 O ATOM 215 CB PHE A 14 5.758 17.990 8.682 1.00 64.33 C ATOM 216 CG PHE A 14 4.734 16.925 8.997 1.00 53.13 C ATOM 217 CD1 PHE A 14 4.456 15.911 8.093 1.00 43.54 C ATOM 218 CD2 PHE A 14 4.054 16.938 10.210 1.00 24.35 C ATOM 219 CE1 PHE A 14 3.523 14.934 8.390 1.00 32.24 C ATOM 220 CE2 PHE A 14 3.122 15.964 10.508 1.00 13.40 C ATOM 221 CZ PHE A 14 2.856 14.961 9.598 1.00 24.02 C ATOM 0 H PHE A 14 3.283 18.354 7.682 1.00 34.34 H new ATOM 0 HA PHE A 14 5.619 20.091 8.229 1.00 22.13 H new ATOM 0 HB2 PHE A 14 6.598 17.525 8.166 1.00 64.33 H new ATOM 0 HB3 PHE A 14 6.143 18.393 9.619 1.00 64.33 H new ATOM 0 HD1 PHE A 14 4.974 15.884 7.146 1.00 43.54 H new ATOM 0 HD2 PHE A 14 4.257 17.719 10.927 1.00 24.35 H new ATOM 0 HE1 PHE A 14 3.316 14.150 7.677 1.00 32.24 H new ATOM 0 HE2 PHE A 14 2.601 15.987 11.454 1.00 13.40 H new ATOM 0 HZ PHE A 14 2.127 14.199 9.831 1.00 24.02 H new ATOM 231 N GLU A 15 6.820 19.795 6.071 1.00 32.24 N ATOM 232 CA GLU A 15 7.379 19.859 4.710 1.00 51.23 C ATOM 233 C GLU A 15 8.547 18.881 4.503 1.00 32.43 C ATOM 234 O GLU A 15 8.940 18.611 3.368 1.00 43.24 O ATOM 235 CB GLU A 15 7.843 21.288 4.383 1.00 1.11 C ATOM 236 CG GLU A 15 6.720 22.317 4.408 1.00 5.04 C ATOM 237 CD GLU A 15 7.171 23.701 3.960 1.00 64.02 C ATOM 238 OE1 GLU A 15 7.351 23.912 2.740 1.00 21.10 O ATOM 239 OE2 GLU A 15 7.341 24.590 4.823 1.00 41.11 O ATOM 0 H GLU A 15 7.319 20.367 6.752 1.00 32.24 H new ATOM 0 HA GLU A 15 6.578 19.565 4.032 1.00 51.23 H new ATOM 0 HB2 GLU A 15 8.611 21.584 5.098 1.00 1.11 H new ATOM 0 HB3 GLU A 15 8.307 21.293 3.397 1.00 1.11 H new ATOM 0 HG2 GLU A 15 5.910 21.978 3.762 1.00 5.04 H new ATOM 0 HG3 GLU A 15 6.316 22.382 5.418 1.00 5.04 H new ATOM 246 N ARG A 16 9.117 18.363 5.588 1.00 54.45 N ATOM 247 CA ARG A 16 10.198 17.371 5.482 1.00 31.11 C ATOM 248 C ARG A 16 10.018 16.223 6.489 1.00 61.20 C ATOM 249 O ARG A 16 9.928 16.445 7.698 1.00 62.14 O ATOM 250 CB ARG A 16 11.586 18.021 5.653 1.00 0.30 C ATOM 251 CG ARG A 16 11.741 18.914 6.887 1.00 43.51 C ATOM 252 CD ARG A 16 11.216 20.326 6.647 1.00 31.14 C ATOM 253 NE ARG A 16 11.500 21.216 7.771 1.00 31.31 N ATOM 254 CZ ARG A 16 10.884 22.344 7.985 1.00 72.40 C ATOM 255 NH1 ARG A 16 9.944 22.742 7.190 1.00 32.44 N ATOM 256 NH2 ARG A 16 11.209 23.071 9.002 1.00 64.31 N ATOM 0 H ARG A 16 8.856 18.606 6.544 1.00 54.45 H new ATOM 0 HA ARG A 16 10.140 16.952 4.477 1.00 31.11 H new ATOM 0 HB2 ARG A 16 12.336 17.231 5.699 1.00 0.30 H new ATOM 0 HB3 ARG A 16 11.803 18.615 4.765 1.00 0.30 H new ATOM 0 HG2 ARG A 16 11.207 18.467 7.726 1.00 43.51 H new ATOM 0 HG3 ARG A 16 12.793 18.962 7.168 1.00 43.51 H new ATOM 0 HD2 ARG A 16 11.667 20.731 5.741 1.00 31.14 H new ATOM 0 HD3 ARG A 16 10.140 20.288 6.478 1.00 31.14 H new ATOM 0 HE ARG A 16 12.227 20.936 8.430 1.00 31.31 H new ATOM 0 HH11 ARG A 16 9.679 22.171 6.387 1.00 32.44 H new ATOM 0 HH12 ARG A 16 9.468 23.627 7.366 1.00 32.44 H new ATOM 0 HH21 ARG A 16 11.946 22.762 9.635 1.00 64.31 H new ATOM 0 HH22 ARG A 16 10.728 23.954 9.172 1.00 64.31 H new ATOM 270 N VAL A 17 9.962 14.992 5.976 1.00 45.35 N ATOM 271 CA VAL A 17 9.746 13.807 6.814 1.00 5.22 C ATOM 272 C VAL A 17 10.701 12.661 6.445 1.00 13.30 C ATOM 273 O VAL A 17 11.219 12.595 5.328 1.00 55.52 O ATOM 274 CB VAL A 17 8.285 13.295 6.709 1.00 25.24 C ATOM 275 CG1 VAL A 17 7.301 14.344 7.216 1.00 64.04 C ATOM 276 CG2 VAL A 17 7.948 12.881 5.274 1.00 4.54 C ATOM 0 H VAL A 17 10.063 14.788 4.982 1.00 45.35 H new ATOM 0 HA VAL A 17 9.948 14.120 7.839 1.00 5.22 H new ATOM 0 HB VAL A 17 8.195 12.413 7.343 1.00 25.24 H new ATOM 0 HG11 VAL A 17 6.284 13.960 7.131 1.00 64.04 H new ATOM 0 HG12 VAL A 17 7.517 14.571 8.260 1.00 64.04 H new ATOM 0 HG13 VAL A 17 7.397 15.251 6.620 1.00 64.04 H new ATOM 0 HG21 VAL A 17 6.918 12.526 5.230 1.00 4.54 H new ATOM 0 HG22 VAL A 17 8.065 13.738 4.611 1.00 4.54 H new ATOM 0 HG23 VAL A 17 8.620 12.083 4.958 1.00 4.54 H new ATOM 286 N TYR A 18 10.921 11.758 7.395 1.00 53.53 N ATOM 287 CA TYR A 18 11.786 10.594 7.188 1.00 65.43 C ATOM 288 C TYR A 18 10.959 9.298 7.118 1.00 33.31 C ATOM 289 O TYR A 18 10.178 9.002 8.022 1.00 1.54 O ATOM 290 CB TYR A 18 12.816 10.504 8.327 1.00 42.32 C ATOM 291 CG TYR A 18 13.656 9.236 8.313 1.00 24.20 C ATOM 292 CD1 TYR A 18 14.679 9.058 7.385 1.00 52.00 C ATOM 293 CD2 TYR A 18 13.430 8.216 9.237 1.00 72.34 C ATOM 294 CE1 TYR A 18 15.445 7.907 7.378 1.00 72.11 C ATOM 295 CE2 TYR A 18 14.193 7.065 9.232 1.00 32.22 C ATOM 296 CZ TYR A 18 15.197 6.914 8.301 1.00 74.45 C ATOM 297 OH TYR A 18 15.956 5.765 8.296 1.00 62.33 O ATOM 0 H TYR A 18 10.509 11.809 8.327 1.00 53.53 H new ATOM 0 HA TYR A 18 12.307 10.714 6.238 1.00 65.43 H new ATOM 0 HB2 TYR A 18 13.480 11.366 8.269 1.00 42.32 H new ATOM 0 HB3 TYR A 18 12.292 10.568 9.281 1.00 42.32 H new ATOM 0 HD1 TYR A 18 14.877 9.832 6.659 1.00 52.00 H new ATOM 0 HD2 TYR A 18 12.644 8.328 9.969 1.00 72.34 H new ATOM 0 HE1 TYR A 18 16.235 7.786 6.652 1.00 72.11 H new ATOM 0 HE2 TYR A 18 14.003 6.286 9.955 1.00 32.22 H new ATOM 0 HH TYR A 18 15.652 5.169 9.012 1.00 62.33 H new ATOM 307 N ILE A 19 11.128 8.534 6.043 1.00 55.54 N ATOM 308 CA ILE A 19 10.452 7.238 5.902 1.00 54.40 C ATOM 309 C ILE A 19 11.437 6.082 6.137 1.00 51.32 C ATOM 310 O ILE A 19 12.534 6.058 5.573 1.00 24.01 O ATOM 311 CB ILE A 19 9.783 7.086 4.507 1.00 31.34 C ATOM 312 CG1 ILE A 19 9.053 5.731 4.401 1.00 14.30 C ATOM 313 CG2 ILE A 19 10.813 7.242 3.385 1.00 13.40 C ATOM 314 CD1 ILE A 19 8.338 5.520 3.080 1.00 1.31 C ATOM 0 H ILE A 19 11.725 8.785 5.255 1.00 55.54 H new ATOM 0 HA ILE A 19 9.669 7.200 6.659 1.00 54.40 H new ATOM 0 HB ILE A 19 9.045 7.881 4.395 1.00 31.34 H new ATOM 0 HG12 ILE A 19 9.776 4.928 4.544 1.00 14.30 H new ATOM 0 HG13 ILE A 19 8.328 5.656 5.211 1.00 14.30 H new ATOM 0 HG21 ILE A 19 10.319 7.131 2.420 1.00 13.40 H new ATOM 0 HG22 ILE A 19 11.272 8.229 3.447 1.00 13.40 H new ATOM 0 HG23 ILE A 19 11.583 6.477 3.489 1.00 13.40 H new ATOM 0 HD11 ILE A 19 7.849 4.546 3.082 1.00 1.31 H new ATOM 0 HD12 ILE A 19 7.590 6.301 2.942 1.00 1.31 H new ATOM 0 HD13 ILE A 19 9.060 5.562 2.265 1.00 1.31 H new ATOM 326 N THR A 20 11.048 5.129 6.981 1.00 53.14 N ATOM 327 CA THR A 20 11.916 3.996 7.322 1.00 3.42 C ATOM 328 C THR A 20 11.302 2.662 6.878 1.00 60.15 C ATOM 329 O THR A 20 10.195 2.301 7.283 1.00 15.43 O ATOM 330 CB THR A 20 12.237 3.954 8.840 1.00 71.52 C ATOM 331 OG1 THR A 20 13.001 2.781 9.163 1.00 2.14 O ATOM 332 CG2 THR A 20 10.972 3.991 9.689 1.00 41.25 C ATOM 0 H THR A 20 10.139 5.116 7.443 1.00 53.14 H new ATOM 0 HA THR A 20 12.850 4.144 6.779 1.00 3.42 H new ATOM 0 HB THR A 20 12.824 4.844 9.068 1.00 71.52 H new ATOM 0 HG1 THR A 20 13.196 2.772 10.123 1.00 2.14 H new ATOM 0 HG21 THR A 20 11.241 3.960 10.745 1.00 41.25 H new ATOM 0 HG22 THR A 20 10.422 4.909 9.482 1.00 41.25 H new ATOM 0 HG23 THR A 20 10.347 3.131 9.448 1.00 41.25 H new ATOM 340 N ALA A 21 12.025 1.946 6.019 1.00 53.51 N ATOM 341 CA ALA A 21 11.592 0.631 5.538 1.00 1.52 C ATOM 342 C ALA A 21 12.631 -0.449 5.895 1.00 11.05 C ATOM 343 O ALA A 21 13.675 -0.550 5.253 1.00 35.33 O ATOM 344 CB ALA A 21 11.350 0.670 4.029 1.00 61.33 C ATOM 0 H ALA A 21 12.919 2.255 5.638 1.00 53.51 H new ATOM 0 HA ALA A 21 10.654 0.375 6.031 1.00 1.52 H new ATOM 0 HB1 ALA A 21 11.029 -0.314 3.686 1.00 61.33 H new ATOM 0 HB2 ALA A 21 10.576 1.403 3.804 1.00 61.33 H new ATOM 0 HB3 ALA A 21 12.273 0.948 3.520 1.00 61.33 H new ATOM 350 N PRO A 22 12.343 -1.282 6.917 1.00 25.42 N ATOM 351 CA PRO A 22 13.302 -2.281 7.452 1.00 13.40 C ATOM 352 C PRO A 22 13.888 -3.215 6.375 1.00 42.44 C ATOM 353 O PRO A 22 15.028 -3.667 6.487 1.00 21.40 O ATOM 354 CB PRO A 22 12.451 -3.084 8.460 1.00 55.20 C ATOM 355 CG PRO A 22 11.033 -2.760 8.112 1.00 1.43 C ATOM 356 CD PRO A 22 11.061 -1.340 7.633 1.00 3.12 C ATOM 0 HA PRO A 22 14.176 -1.796 7.887 1.00 13.40 H new ATOM 0 HB2 PRO A 22 12.644 -4.154 8.376 1.00 55.20 H new ATOM 0 HB3 PRO A 22 12.681 -2.799 9.487 1.00 55.20 H new ATOM 0 HG2 PRO A 22 10.654 -3.429 7.339 1.00 1.43 H new ATOM 0 HG3 PRO A 22 10.380 -2.871 8.978 1.00 1.43 H new ATOM 0 HD2 PRO A 22 10.219 -1.114 6.979 1.00 3.12 H new ATOM 0 HD3 PRO A 22 11.023 -0.630 8.459 1.00 3.12 H new ATOM 364 N ALA A 23 13.102 -3.501 5.339 1.00 63.44 N ATOM 365 CA ALA A 23 13.542 -4.381 4.247 1.00 52.34 C ATOM 366 C ALA A 23 13.519 -3.664 2.887 1.00 22.21 C ATOM 367 O ALA A 23 13.515 -4.311 1.840 1.00 2.31 O ATOM 368 CB ALA A 23 12.661 -5.628 4.206 1.00 75.04 C ATOM 0 H ALA A 23 12.155 -3.138 5.229 1.00 63.44 H new ATOM 0 HA ALA A 23 14.575 -4.669 4.442 1.00 52.34 H new ATOM 0 HB1 ALA A 23 12.989 -6.279 3.396 1.00 75.04 H new ATOM 0 HB2 ALA A 23 12.740 -6.161 5.154 1.00 75.04 H new ATOM 0 HB3 ALA A 23 11.624 -5.336 4.039 1.00 75.04 H new ATOM 374 N GLY A 24 13.522 -2.327 2.910 1.00 61.32 N ATOM 375 CA GLY A 24 13.443 -1.546 1.673 1.00 55.54 C ATOM 376 C GLY A 24 12.282 -1.973 0.778 1.00 4.50 C ATOM 377 O GLY A 24 12.477 -2.331 -0.383 1.00 31.24 O ATOM 0 H GLY A 24 13.578 -1.769 3.762 1.00 61.32 H new ATOM 0 HA2 GLY A 24 13.335 -0.490 1.921 1.00 55.54 H new ATOM 0 HA3 GLY A 24 14.378 -1.650 1.122 1.00 55.54 H new ATOM 381 N LEU A 25 11.068 -1.924 1.319 1.00 1.44 N ATOM 382 CA LEU A 25 9.889 -2.451 0.623 1.00 0.03 C ATOM 383 C LEU A 25 9.398 -1.494 -0.477 1.00 43.30 C ATOM 384 O LEU A 25 9.434 -0.271 -0.314 1.00 74.31 O ATOM 385 CB LEU A 25 8.741 -2.732 1.611 1.00 40.03 C ATOM 386 CG LEU A 25 9.081 -3.648 2.807 1.00 5.35 C ATOM 387 CD1 LEU A 25 9.715 -2.855 3.950 1.00 61.40 C ATOM 388 CD2 LEU A 25 7.837 -4.391 3.292 1.00 3.13 C ATOM 0 H LEU A 25 10.871 -1.526 2.237 1.00 1.44 H new ATOM 0 HA LEU A 25 10.194 -3.386 0.154 1.00 0.03 H new ATOM 0 HB2 LEU A 25 8.383 -1.779 2.000 1.00 40.03 H new ATOM 0 HB3 LEU A 25 7.916 -3.181 1.059 1.00 40.03 H new ATOM 0 HG LEU A 25 9.809 -4.383 2.465 1.00 5.35 H new ATOM 0 HD11 LEU A 25 9.943 -3.528 4.777 1.00 61.40 H new ATOM 0 HD12 LEU A 25 10.634 -2.385 3.601 1.00 61.40 H new ATOM 0 HD13 LEU A 25 9.020 -2.086 4.288 1.00 61.40 H new ATOM 0 HD21 LEU A 25 8.100 -5.030 4.135 1.00 3.13 H new ATOM 0 HD22 LEU A 25 7.082 -3.670 3.605 1.00 3.13 H new ATOM 0 HD23 LEU A 25 7.440 -5.003 2.482 1.00 3.13 H new ATOM 400 N THR A 26 8.922 -2.066 -1.586 1.00 75.03 N ATOM 401 CA THR A 26 8.418 -1.282 -2.730 1.00 51.13 C ATOM 402 C THR A 26 7.347 -0.272 -2.301 1.00 73.03 C ATOM 403 O THR A 26 7.363 0.885 -2.728 1.00 74.41 O ATOM 404 CB THR A 26 7.813 -2.197 -3.822 1.00 52.02 C ATOM 405 OG1 THR A 26 6.644 -2.861 -3.317 1.00 5.40 O ATOM 406 CG2 THR A 26 8.826 -3.239 -4.284 1.00 41.23 C ATOM 0 H THR A 26 8.873 -3.076 -1.722 1.00 75.03 H new ATOM 0 HA THR A 26 9.279 -0.748 -3.132 1.00 51.13 H new ATOM 0 HB THR A 26 7.541 -1.572 -4.672 1.00 52.02 H new ATOM 0 HG1 THR A 26 6.267 -3.436 -4.015 1.00 5.40 H new ATOM 0 HG21 THR A 26 8.376 -3.869 -5.051 1.00 41.23 H new ATOM 0 HG22 THR A 26 9.702 -2.737 -4.694 1.00 41.23 H new ATOM 0 HG23 THR A 26 9.125 -3.856 -3.437 1.00 41.23 H new ATOM 414 N ILE A 27 6.427 -0.726 -1.444 1.00 11.45 N ATOM 415 CA ILE A 27 5.366 0.121 -0.878 1.00 3.03 C ATOM 416 C ILE A 27 5.911 1.486 -0.404 1.00 41.13 C ATOM 417 O ILE A 27 5.245 2.516 -0.537 1.00 53.01 O ATOM 418 CB ILE A 27 4.670 -0.604 0.313 1.00 52.33 C ATOM 419 CG1 ILE A 27 3.498 0.226 0.870 1.00 50.33 C ATOM 420 CG2 ILE A 27 5.680 -0.926 1.417 1.00 23.12 C ATOM 421 CD1 ILE A 27 2.319 0.334 -0.076 1.00 70.03 C ATOM 0 H ILE A 27 6.395 -1.693 -1.121 1.00 11.45 H new ATOM 0 HA ILE A 27 4.641 0.303 -1.671 1.00 3.03 H new ATOM 0 HB ILE A 27 4.262 -1.542 -0.064 1.00 52.33 H new ATOM 0 HG12 ILE A 27 3.161 -0.221 1.805 1.00 50.33 H new ATOM 0 HG13 ILE A 27 3.855 1.228 1.106 1.00 50.33 H new ATOM 0 HG21 ILE A 27 5.172 -1.432 2.238 1.00 23.12 H new ATOM 0 HG22 ILE A 27 6.460 -1.574 1.018 1.00 23.12 H new ATOM 0 HG23 ILE A 27 6.128 -0.001 1.782 1.00 23.12 H new ATOM 0 HD11 ILE A 27 1.535 0.933 0.387 1.00 70.03 H new ATOM 0 HD12 ILE A 27 2.639 0.809 -1.003 1.00 70.03 H new ATOM 0 HD13 ILE A 27 1.934 -0.662 -0.293 1.00 70.03 H new ATOM 433 N GLY A 28 7.133 1.480 0.130 1.00 33.24 N ATOM 434 CA GLY A 28 7.757 2.708 0.609 1.00 53.24 C ATOM 435 C GLY A 28 8.158 3.658 -0.516 1.00 22.25 C ATOM 436 O GLY A 28 7.885 4.855 -0.449 1.00 1.25 O ATOM 0 H GLY A 28 7.705 0.643 0.240 1.00 33.24 H new ATOM 0 HA2 GLY A 28 7.067 3.220 1.280 1.00 53.24 H new ATOM 0 HA3 GLY A 28 8.641 2.454 1.194 1.00 53.24 H new ATOM 440 N SER A 29 8.796 3.122 -1.561 1.00 51.04 N ATOM 441 CA SER A 29 9.248 3.944 -2.699 1.00 74.31 C ATOM 442 C SER A 29 8.076 4.672 -3.360 1.00 1.41 C ATOM 443 O SER A 29 8.151 5.870 -3.639 1.00 24.13 O ATOM 444 CB SER A 29 9.976 3.090 -3.747 1.00 41.45 C ATOM 445 OG SER A 29 10.465 3.890 -4.819 1.00 73.55 O ATOM 0 H SER A 29 9.012 2.129 -1.647 1.00 51.04 H new ATOM 0 HA SER A 29 9.942 4.684 -2.301 1.00 74.31 H new ATOM 0 HB2 SER A 29 10.806 2.563 -3.276 1.00 41.45 H new ATOM 0 HB3 SER A 29 9.297 2.332 -4.137 1.00 41.45 H new ATOM 0 HG SER A 29 11.410 3.683 -4.977 1.00 73.55 H new ATOM 451 N ASP A 30 6.985 3.946 -3.604 1.00 11.12 N ATOM 452 CA ASP A 30 5.773 4.552 -4.157 1.00 20.35 C ATOM 453 C ASP A 30 5.214 5.628 -3.215 1.00 42.40 C ATOM 454 O ASP A 30 4.768 6.682 -3.662 1.00 51.22 O ATOM 455 CB ASP A 30 4.713 3.482 -4.429 1.00 4.34 C ATOM 456 CG ASP A 30 5.151 2.503 -5.498 1.00 71.13 C ATOM 457 OD1 ASP A 30 5.140 2.874 -6.689 1.00 32.24 O ATOM 458 OD2 ASP A 30 5.516 1.363 -5.158 1.00 21.22 O ATOM 0 H ASP A 30 6.915 2.944 -3.429 1.00 11.12 H new ATOM 0 HA ASP A 30 6.038 5.030 -5.100 1.00 20.35 H new ATOM 0 HB2 ASP A 30 4.501 2.940 -3.507 1.00 4.34 H new ATOM 0 HB3 ASP A 30 3.784 3.963 -4.737 1.00 4.34 H new ATOM 463 N LEU A 31 5.253 5.362 -1.907 1.00 64.31 N ATOM 464 CA LEU A 31 4.799 6.339 -0.912 1.00 35.13 C ATOM 465 C LEU A 31 5.631 7.631 -0.991 1.00 23.12 C ATOM 466 O LEU A 31 5.081 8.731 -1.010 1.00 62.12 O ATOM 467 CB LEU A 31 4.873 5.743 0.499 1.00 53.33 C ATOM 468 CG LEU A 31 4.373 6.662 1.629 1.00 54.51 C ATOM 469 CD1 LEU A 31 2.902 7.022 1.424 1.00 63.44 C ATOM 470 CD2 LEU A 31 4.587 6.009 2.997 1.00 73.31 C ATOM 0 H LEU A 31 5.592 4.484 -1.513 1.00 64.31 H new ATOM 0 HA LEU A 31 3.761 6.588 -1.132 1.00 35.13 H new ATOM 0 HB2 LEU A 31 4.290 4.822 0.517 1.00 53.33 H new ATOM 0 HB3 LEU A 31 5.908 5.470 0.706 1.00 53.33 H new ATOM 0 HG LEU A 31 4.955 7.583 1.599 1.00 54.51 H new ATOM 0 HD11 LEU A 31 2.570 7.672 2.234 1.00 63.44 H new ATOM 0 HD12 LEU A 31 2.783 7.539 0.472 1.00 63.44 H new ATOM 0 HD13 LEU A 31 2.302 6.112 1.420 1.00 63.44 H new ATOM 0 HD21 LEU A 31 4.226 6.677 3.779 1.00 73.31 H new ATOM 0 HD22 LEU A 31 4.038 5.068 3.041 1.00 73.31 H new ATOM 0 HD23 LEU A 31 5.649 5.816 3.146 1.00 73.31 H new ATOM 482 N GLU A 32 6.956 7.482 -1.055 1.00 34.41 N ATOM 483 CA GLU A 32 7.872 8.622 -1.222 1.00 14.35 C ATOM 484 C GLU A 32 7.436 9.522 -2.392 1.00 54.43 C ATOM 485 O GLU A 32 7.385 10.750 -2.273 1.00 31.13 O ATOM 486 CB GLU A 32 9.301 8.115 -1.478 1.00 11.01 C ATOM 487 CG GLU A 32 9.914 7.334 -0.315 1.00 54.34 C ATOM 488 CD GLU A 32 11.249 6.694 -0.678 1.00 71.40 C ATOM 489 OE1 GLU A 32 12.134 7.406 -1.202 1.00 34.22 O ATOM 490 OE2 GLU A 32 11.415 5.474 -0.464 1.00 75.14 O ATOM 0 H GLU A 32 7.425 6.578 -0.994 1.00 34.41 H new ATOM 0 HA GLU A 32 7.845 9.209 -0.304 1.00 14.35 H new ATOM 0 HB2 GLU A 32 9.294 7.479 -2.363 1.00 11.01 H new ATOM 0 HB3 GLU A 32 9.941 8.968 -1.704 1.00 11.01 H new ATOM 0 HG2 GLU A 32 10.055 8.004 0.533 1.00 54.34 H new ATOM 0 HG3 GLU A 32 9.218 6.558 0.004 1.00 54.34 H new ATOM 497 N ARG A 33 7.112 8.887 -3.515 1.00 40.32 N ATOM 498 CA ARG A 33 6.705 9.598 -4.734 1.00 32.33 C ATOM 499 C ARG A 33 5.323 10.252 -4.567 1.00 33.42 C ATOM 500 O ARG A 33 5.134 11.424 -4.899 1.00 13.12 O ATOM 501 CB ARG A 33 6.689 8.619 -5.917 1.00 55.12 C ATOM 502 CG ARG A 33 7.970 7.798 -6.031 1.00 50.34 C ATOM 503 CD ARG A 33 7.902 6.769 -7.155 1.00 61.21 C ATOM 504 NE ARG A 33 8.978 5.782 -7.044 1.00 62.11 N ATOM 505 CZ ARG A 33 10.124 5.861 -7.665 1.00 3.43 C ATOM 506 NH1 ARG A 33 10.387 6.856 -8.454 1.00 62.43 N ATOM 507 NH2 ARG A 33 11.014 4.942 -7.490 1.00 53.41 N ATOM 0 H ARG A 33 7.122 7.872 -3.611 1.00 40.32 H new ATOM 0 HA ARG A 33 7.426 10.393 -4.926 1.00 32.33 H new ATOM 0 HB2 ARG A 33 5.840 7.944 -5.811 1.00 55.12 H new ATOM 0 HB3 ARG A 33 6.539 9.177 -6.841 1.00 55.12 H new ATOM 0 HG2 ARG A 33 8.813 8.467 -6.205 1.00 50.34 H new ATOM 0 HG3 ARG A 33 8.157 7.288 -5.086 1.00 50.34 H new ATOM 0 HD2 ARG A 33 6.937 6.262 -7.128 1.00 61.21 H new ATOM 0 HD3 ARG A 33 7.969 7.275 -8.118 1.00 61.21 H new ATOM 0 HE ARG A 33 8.821 4.976 -6.439 1.00 62.11 H new ATOM 0 HH11 ARG A 33 9.694 7.591 -8.596 1.00 62.43 H new ATOM 0 HH12 ARG A 33 11.287 6.904 -8.932 1.00 62.43 H new ATOM 0 HH21 ARG A 33 10.821 4.157 -6.868 1.00 53.41 H new ATOM 0 HH22 ARG A 33 11.910 5.001 -7.974 1.00 53.41 H new ATOM 521 N VAL A 34 4.361 9.492 -4.041 1.00 15.30 N ATOM 522 CA VAL A 34 3.006 10.007 -3.806 1.00 63.55 C ATOM 523 C VAL A 34 3.020 11.224 -2.865 1.00 44.34 C ATOM 524 O VAL A 34 2.323 12.209 -3.106 1.00 34.23 O ATOM 525 CB VAL A 34 2.071 8.907 -3.231 1.00 70.14 C ATOM 526 CG1 VAL A 34 0.719 9.492 -2.813 1.00 52.43 C ATOM 527 CG2 VAL A 34 1.878 7.785 -4.253 1.00 12.13 C ATOM 0 H VAL A 34 4.492 8.518 -3.769 1.00 15.30 H new ATOM 0 HA VAL A 34 2.617 10.322 -4.774 1.00 63.55 H new ATOM 0 HB VAL A 34 2.545 8.492 -2.341 1.00 70.14 H new ATOM 0 HG11 VAL A 34 0.087 8.698 -2.415 1.00 52.43 H new ATOM 0 HG12 VAL A 34 0.873 10.252 -2.047 1.00 52.43 H new ATOM 0 HG13 VAL A 34 0.234 9.942 -3.679 1.00 52.43 H new ATOM 0 HG21 VAL A 34 1.221 7.022 -3.836 1.00 12.13 H new ATOM 0 HG22 VAL A 34 1.431 8.192 -5.160 1.00 12.13 H new ATOM 0 HG23 VAL A 34 2.844 7.340 -4.492 1.00 12.13 H new ATOM 537 N ILE A 35 3.821 11.156 -1.807 1.00 50.54 N ATOM 538 CA ILE A 35 3.963 12.279 -0.873 1.00 44.50 C ATOM 539 C ILE A 35 4.470 13.542 -1.591 1.00 20.13 C ATOM 540 O ILE A 35 3.845 14.600 -1.517 1.00 52.34 O ATOM 541 CB ILE A 35 4.920 11.928 0.299 1.00 62.41 C ATOM 542 CG1 ILE A 35 4.314 10.814 1.169 1.00 52.43 C ATOM 543 CG2 ILE A 35 5.225 13.165 1.147 1.00 31.02 C ATOM 544 CD1 ILE A 35 5.203 10.383 2.320 1.00 2.20 C ATOM 0 H ILE A 35 4.383 10.338 -1.571 1.00 50.54 H new ATOM 0 HA ILE A 35 2.972 12.478 -0.466 1.00 44.50 H new ATOM 0 HB ILE A 35 5.858 11.569 -0.124 1.00 62.41 H new ATOM 0 HG12 ILE A 35 3.359 11.157 1.568 1.00 52.43 H new ATOM 0 HG13 ILE A 35 4.104 9.949 0.540 1.00 52.43 H new ATOM 0 HG21 ILE A 35 5.897 12.892 1.961 1.00 31.02 H new ATOM 0 HG22 ILE A 35 5.698 13.925 0.525 1.00 31.02 H new ATOM 0 HG23 ILE A 35 4.297 13.561 1.560 1.00 31.02 H new ATOM 0 HD11 ILE A 35 4.708 9.595 2.887 1.00 2.20 H new ATOM 0 HD12 ILE A 35 6.149 10.009 1.929 1.00 2.20 H new ATOM 0 HD13 ILE A 35 5.392 11.235 2.973 1.00 2.20 H new ATOM 556 N SER A 36 5.590 13.414 -2.301 1.00 53.44 N ATOM 557 CA SER A 36 6.201 14.551 -3.015 1.00 31.34 C ATOM 558 C SER A 36 5.266 15.134 -4.089 1.00 45.44 C ATOM 559 O SER A 36 5.219 16.349 -4.297 1.00 22.14 O ATOM 560 CB SER A 36 7.520 14.114 -3.670 1.00 13.02 C ATOM 561 OG SER A 36 8.146 15.192 -4.358 1.00 4.01 O ATOM 0 H SER A 36 6.099 12.536 -2.402 1.00 53.44 H new ATOM 0 HA SER A 36 6.389 15.331 -2.277 1.00 31.34 H new ATOM 0 HB2 SER A 36 8.195 13.728 -2.907 1.00 13.02 H new ATOM 0 HB3 SER A 36 7.328 13.299 -4.368 1.00 13.02 H new ATOM 0 HG SER A 36 8.983 14.880 -4.762 1.00 4.01 H new ATOM 567 N THR A 37 4.526 14.262 -4.771 1.00 5.20 N ATOM 568 CA THR A 37 3.645 14.678 -5.877 1.00 53.53 C ATOM 569 C THR A 37 2.252 15.134 -5.400 1.00 2.24 C ATOM 570 O THR A 37 1.566 15.881 -6.101 1.00 2.41 O ATOM 571 CB THR A 37 3.466 13.539 -6.910 1.00 4.43 C ATOM 572 OG1 THR A 37 2.904 12.381 -6.271 1.00 64.34 O ATOM 573 CG2 THR A 37 4.797 13.163 -7.559 1.00 72.45 C ATOM 0 H THR A 37 4.514 13.260 -4.582 1.00 5.20 H new ATOM 0 HA THR A 37 4.142 15.530 -6.340 1.00 53.53 H new ATOM 0 HB THR A 37 2.792 13.897 -7.688 1.00 4.43 H new ATOM 0 HG1 THR A 37 3.599 11.923 -5.753 1.00 64.34 H new ATOM 0 HG21 THR A 37 4.637 12.361 -8.279 1.00 72.45 H new ATOM 0 HG22 THR A 37 5.211 14.032 -8.070 1.00 72.45 H new ATOM 0 HG23 THR A 37 5.494 12.828 -6.791 1.00 72.45 H new ATOM 581 N HIS A 38 1.821 14.676 -4.222 1.00 51.20 N ATOM 582 CA HIS A 38 0.496 15.040 -3.686 1.00 3.30 C ATOM 583 C HIS A 38 0.573 16.166 -2.642 1.00 24.15 C ATOM 584 O HIS A 38 -0.137 17.168 -2.741 1.00 52.33 O ATOM 585 CB HIS A 38 -0.194 13.814 -3.062 1.00 54.32 C ATOM 586 CG HIS A 38 -0.729 12.823 -4.059 1.00 53.15 C ATOM 587 ND1 HIS A 38 -0.155 12.237 -5.140 1.00 21.52 N flip ATOM 588 CD2 HIS A 38 -2.008 12.307 -3.987 1.00 2.43 C flip ATOM 589 CE1 HIS A 38 -1.090 11.390 -5.685 1.00 73.33 C flip ATOM 590 NE2 HIS A 38 -2.195 11.449 -4.973 1.00 64.34 N flip ATOM 0 H HIS A 38 2.363 14.056 -3.620 1.00 51.20 H new ATOM 0 HA HIS A 38 -0.089 15.404 -4.530 1.00 3.30 H new ATOM 0 HB2 HIS A 38 0.517 13.306 -2.410 1.00 54.32 H new ATOM 0 HB3 HIS A 38 -1.016 14.157 -2.433 1.00 54.32 H new ATOM 0 HD1 HIS A 38 0.792 12.395 -5.483 1.00 21.52 H new ATOM 0 HD2 HIS A 38 -2.743 12.566 -3.239 1.00 2.43 H new ATOM 0 HE1 HIS A 38 -0.941 10.774 -6.559 1.00 73.33 H new ATOM 599 N THR A 39 1.426 15.990 -1.639 1.00 50.41 N ATOM 600 CA THR A 39 1.500 16.925 -0.502 1.00 31.23 C ATOM 601 C THR A 39 2.566 18.007 -0.716 1.00 45.42 C ATOM 602 O THR A 39 3.101 18.171 -1.812 1.00 62.53 O ATOM 603 CB THR A 39 1.824 16.188 0.824 1.00 5.14 C ATOM 604 OG1 THR A 39 3.226 15.885 0.900 1.00 2.15 O ATOM 605 CG2 THR A 39 1.021 14.899 0.949 1.00 72.13 C ATOM 0 H THR A 39 2.081 15.210 -1.582 1.00 50.41 H new ATOM 0 HA THR A 39 0.517 17.391 -0.437 1.00 31.23 H new ATOM 0 HB THR A 39 1.550 16.851 1.645 1.00 5.14 H new ATOM 0 HG1 THR A 39 3.507 15.430 0.079 1.00 2.15 H new ATOM 0 HG21 THR A 39 1.270 14.405 1.888 1.00 72.13 H new ATOM 0 HG22 THR A 39 -0.044 15.131 0.932 1.00 72.13 H new ATOM 0 HG23 THR A 39 1.262 14.238 0.117 1.00 72.13 H new ATOM 613 N ARG A 40 2.867 18.744 0.351 1.00 71.35 N ATOM 614 CA ARG A 40 3.910 19.773 0.322 1.00 74.51 C ATOM 615 C ARG A 40 5.196 19.266 1.008 1.00 4.12 C ATOM 616 O ARG A 40 6.154 20.014 1.204 1.00 4.33 O ATOM 617 CB ARG A 40 3.384 21.045 1.015 1.00 64.45 C ATOM 618 CG ARG A 40 4.292 22.264 0.880 1.00 1.24 C ATOM 619 CD ARG A 40 4.541 22.627 -0.580 1.00 70.41 C ATOM 620 NE ARG A 40 3.298 22.884 -1.312 1.00 50.41 N ATOM 621 CZ ARG A 40 3.243 23.109 -2.596 1.00 35.43 C ATOM 622 NH1 ARG A 40 4.311 23.032 -3.322 1.00 61.15 N ATOM 623 NH2 ARG A 40 2.110 23.375 -3.158 1.00 43.23 N ATOM 0 H ARG A 40 2.401 18.648 1.253 1.00 71.35 H new ATOM 0 HA ARG A 40 4.159 20.006 -0.713 1.00 74.51 H new ATOM 0 HB2 ARG A 40 2.405 21.290 0.602 1.00 64.45 H new ATOM 0 HB3 ARG A 40 3.239 20.832 2.074 1.00 64.45 H new ATOM 0 HG2 ARG A 40 3.840 23.113 1.393 1.00 1.24 H new ATOM 0 HG3 ARG A 40 5.244 22.064 1.372 1.00 1.24 H new ATOM 0 HD2 ARG A 40 5.177 23.511 -0.628 1.00 70.41 H new ATOM 0 HD3 ARG A 40 5.084 21.816 -1.065 1.00 70.41 H new ATOM 0 HE ARG A 40 2.424 22.887 -0.787 1.00 50.41 H new ATOM 0 HH11 ARG A 40 5.204 22.794 -2.891 1.00 61.15 H new ATOM 0 HH12 ARG A 40 4.260 23.209 -4.325 1.00 61.15 H new ATOM 0 HH21 ARG A 40 1.258 23.409 -2.598 1.00 43.23 H new ATOM 0 HH22 ARG A 40 2.067 23.551 -4.162 1.00 43.23 H new ATOM 637 N ALA A 41 5.216 17.978 1.348 1.00 34.01 N ATOM 638 CA ALA A 41 6.345 17.382 2.070 1.00 43.52 C ATOM 639 C ALA A 41 7.433 16.840 1.131 1.00 52.14 C ATOM 640 O ALA A 41 7.229 16.693 -0.077 1.00 44.10 O ATOM 641 CB ALA A 41 5.853 16.275 2.996 1.00 53.11 C ATOM 0 H ALA A 41 4.463 17.324 1.136 1.00 34.01 H new ATOM 0 HA ALA A 41 6.800 18.179 2.658 1.00 43.52 H new ATOM 0 HB1 ALA A 41 6.701 15.841 3.526 1.00 53.11 H new ATOM 0 HB2 ALA A 41 5.148 16.690 3.717 1.00 53.11 H new ATOM 0 HB3 ALA A 41 5.358 15.502 2.408 1.00 53.11 H new ATOM 647 N LYS A 42 8.595 16.554 1.712 1.00 1.12 N ATOM 648 CA LYS A 42 9.734 15.991 0.985 1.00 14.44 C ATOM 649 C LYS A 42 10.476 14.972 1.872 1.00 33.01 C ATOM 650 O LYS A 42 10.638 15.182 3.076 1.00 14.34 O ATOM 651 CB LYS A 42 10.659 17.133 0.522 1.00 60.54 C ATOM 652 CG LYS A 42 11.935 16.689 -0.204 1.00 31.34 C ATOM 653 CD LYS A 42 13.121 16.512 0.748 1.00 34.32 C ATOM 654 CE LYS A 42 13.419 17.792 1.527 1.00 52.23 C ATOM 655 NZ LYS A 42 13.671 18.952 0.626 1.00 12.14 N ATOM 0 H LYS A 42 8.776 16.706 2.704 1.00 1.12 H new ATOM 0 HA LYS A 42 9.386 15.458 0.100 1.00 14.44 H new ATOM 0 HB2 LYS A 42 10.094 17.790 -0.139 1.00 60.54 H new ATOM 0 HB3 LYS A 42 10.943 17.724 1.393 1.00 60.54 H new ATOM 0 HG2 LYS A 42 11.746 15.749 -0.722 1.00 31.34 H new ATOM 0 HG3 LYS A 42 12.191 17.426 -0.965 1.00 31.34 H new ATOM 0 HD2 LYS A 42 12.909 15.702 1.446 1.00 34.32 H new ATOM 0 HD3 LYS A 42 14.003 16.219 0.179 1.00 34.32 H new ATOM 0 HE2 LYS A 42 12.579 18.020 2.184 1.00 52.23 H new ATOM 0 HE3 LYS A 42 14.289 17.633 2.165 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 14.001 19.763 1.188 1.00 12.14 H new ATOM 0 HZ2 LYS A 42 14.397 18.697 -0.073 1.00 12.14 H new ATOM 0 HZ3 LYS A 42 12.791 19.207 0.134 1.00 12.14 H new ATOM 669 N VAL A 43 10.923 13.873 1.269 1.00 41.51 N ATOM 670 CA VAL A 43 11.539 12.767 2.015 1.00 2.32 C ATOM 671 C VAL A 43 13.041 12.993 2.274 1.00 11.21 C ATOM 672 O VAL A 43 13.844 13.054 1.339 1.00 23.24 O ATOM 673 CB VAL A 43 11.351 11.428 1.257 1.00 75.33 C ATOM 674 CG1 VAL A 43 12.010 10.274 2.011 1.00 72.22 C ATOM 675 CG2 VAL A 43 9.866 11.150 1.019 1.00 61.13 C ATOM 0 H VAL A 43 10.872 13.720 0.262 1.00 41.51 H new ATOM 0 HA VAL A 43 11.033 12.726 2.980 1.00 2.32 H new ATOM 0 HB VAL A 43 11.842 11.514 0.287 1.00 75.33 H new ATOM 0 HG11 VAL A 43 11.863 9.347 1.457 1.00 72.22 H new ATOM 0 HG12 VAL A 43 13.077 10.470 2.115 1.00 72.22 H new ATOM 0 HG13 VAL A 43 11.560 10.181 3.000 1.00 72.22 H new ATOM 0 HG21 VAL A 43 9.753 10.206 0.486 1.00 61.13 H new ATOM 0 HG22 VAL A 43 9.349 11.090 1.977 1.00 61.13 H new ATOM 0 HG23 VAL A 43 9.436 11.956 0.425 1.00 61.13 H new ATOM 685 N VAL A 44 13.416 13.112 3.548 1.00 3.01 N ATOM 686 CA VAL A 44 14.830 13.226 3.937 1.00 64.42 C ATOM 687 C VAL A 44 15.439 11.845 4.245 1.00 74.03 C ATOM 688 O VAL A 44 14.730 10.911 4.620 1.00 13.13 O ATOM 689 CB VAL A 44 15.013 14.153 5.168 1.00 23.42 C ATOM 690 CG1 VAL A 44 14.550 15.572 4.848 1.00 15.22 C ATOM 691 CG2 VAL A 44 14.269 13.599 6.383 1.00 3.22 C ATOM 0 H VAL A 44 12.763 13.132 4.331 1.00 3.01 H new ATOM 0 HA VAL A 44 15.352 13.665 3.087 1.00 64.42 H new ATOM 0 HB VAL A 44 16.075 14.188 5.411 1.00 23.42 H new ATOM 0 HG11 VAL A 44 14.687 16.206 5.724 1.00 15.22 H new ATOM 0 HG12 VAL A 44 15.136 15.968 4.019 1.00 15.22 H new ATOM 0 HG13 VAL A 44 13.496 15.557 4.572 1.00 15.22 H new ATOM 0 HG21 VAL A 44 14.413 14.266 7.233 1.00 3.22 H new ATOM 0 HG22 VAL A 44 13.206 13.525 6.156 1.00 3.22 H new ATOM 0 HG23 VAL A 44 14.658 12.611 6.628 1.00 3.22 H new ATOM 701 N ASN A 45 16.757 11.722 4.094 1.00 65.05 N ATOM 702 CA ASN A 45 17.444 10.434 4.288 1.00 5.31 C ATOM 703 C ASN A 45 18.012 10.294 5.720 1.00 54.44 C ATOM 704 O ASN A 45 18.872 9.450 5.979 1.00 22.04 O ATOM 705 CB ASN A 45 18.565 10.290 3.242 1.00 54.44 C ATOM 706 CG ASN A 45 19.162 8.890 3.185 1.00 60.10 C ATOM 707 OD1 ASN A 45 18.497 7.899 3.478 1.00 52.32 O ATOM 708 ND2 ASN A 45 20.413 8.791 2.783 1.00 12.30 N ATOM 0 H ASN A 45 17.374 12.493 3.839 1.00 65.05 H new ATOM 0 HA ASN A 45 16.716 9.634 4.155 1.00 5.31 H new ATOM 0 HB2 ASN A 45 18.171 10.549 2.259 1.00 54.44 H new ATOM 0 HB3 ASN A 45 19.356 11.006 3.467 1.00 54.44 H new ATOM 0 HD21 ASN A 45 20.854 7.874 2.708 1.00 12.30 H new ATOM 0 HD22 ASN A 45 20.941 9.631 2.546 1.00 12.30 H new ATOM 715 N LYS A 46 17.523 11.116 6.651 1.00 73.22 N ATOM 716 CA LYS A 46 17.966 11.043 8.054 1.00 14.42 C ATOM 717 C LYS A 46 16.948 11.694 9.007 1.00 62.55 C ATOM 718 O LYS A 46 16.345 12.717 8.683 1.00 23.43 O ATOM 719 CB LYS A 46 19.358 11.686 8.233 1.00 73.45 C ATOM 720 CG LYS A 46 19.418 13.197 7.995 1.00 51.44 C ATOM 721 CD LYS A 46 19.216 13.578 6.530 1.00 73.32 C ATOM 722 CE LYS A 46 19.453 15.068 6.302 1.00 1.42 C ATOM 723 NZ LYS A 46 20.849 15.473 6.638 1.00 64.11 N ATOM 0 H LYS A 46 16.825 11.836 6.466 1.00 73.22 H new ATOM 0 HA LYS A 46 18.038 9.986 8.312 1.00 14.42 H new ATOM 0 HB2 LYS A 46 19.707 11.480 9.245 1.00 73.45 H new ATOM 0 HB3 LYS A 46 20.055 11.200 7.550 1.00 73.45 H new ATOM 0 HG2 LYS A 46 18.654 13.685 8.600 1.00 51.44 H new ATOM 0 HG3 LYS A 46 20.383 13.575 8.333 1.00 51.44 H new ATOM 0 HD2 LYS A 46 19.897 13.000 5.905 1.00 73.32 H new ATOM 0 HD3 LYS A 46 18.203 13.318 6.222 1.00 73.32 H new ATOM 0 HE2 LYS A 46 19.246 15.312 5.260 1.00 1.42 H new ATOM 0 HE3 LYS A 46 18.753 15.643 6.909 1.00 1.42 H new ATOM 0 HZ1 LYS A 46 21.055 16.398 6.209 1.00 64.11 H new ATOM 0 HZ2 LYS A 46 20.952 15.539 7.671 1.00 64.11 H new ATOM 0 HZ3 LYS A 46 21.515 14.764 6.268 1.00 64.11 H new ATOM 737 N ALA A 47 16.775 11.099 10.188 1.00 1.35 N ATOM 738 CA ALA A 47 15.780 11.564 11.169 1.00 24.54 C ATOM 739 C ALA A 47 16.255 12.804 11.944 1.00 74.24 C ATOM 740 O ALA A 47 15.439 13.588 12.438 1.00 22.44 O ATOM 741 CB ALA A 47 15.440 10.437 12.135 1.00 10.22 C ATOM 0 H ALA A 47 17.313 10.288 10.494 1.00 1.35 H new ATOM 0 HA ALA A 47 14.888 11.856 10.615 1.00 24.54 H new ATOM 0 HB1 ALA A 47 14.704 10.787 12.858 1.00 10.22 H new ATOM 0 HB2 ALA A 47 15.030 9.593 11.580 1.00 10.22 H new ATOM 0 HB3 ALA A 47 16.342 10.123 12.659 1.00 10.22 H new ATOM 747 N GLU A 48 17.575 12.973 12.047 1.00 53.51 N ATOM 748 CA GLU A 48 18.167 14.130 12.739 1.00 12.31 C ATOM 749 C GLU A 48 17.580 15.457 12.228 1.00 63.50 C ATOM 750 O GLU A 48 17.410 16.411 12.989 1.00 10.31 O ATOM 751 CB GLU A 48 19.692 14.143 12.547 1.00 4.24 C ATOM 752 CG GLU A 48 20.116 14.318 11.092 1.00 40.30 C ATOM 753 CD GLU A 48 21.621 14.356 10.900 1.00 70.14 C ATOM 754 OE1 GLU A 48 22.239 13.276 10.832 1.00 64.34 O ATOM 755 OE2 GLU A 48 22.191 15.462 10.795 1.00 32.42 O ATOM 0 H GLU A 48 18.260 12.323 11.660 1.00 53.51 H new ATOM 0 HA GLU A 48 17.929 14.033 13.798 1.00 12.31 H new ATOM 0 HB2 GLU A 48 20.119 14.950 13.142 1.00 4.24 H new ATOM 0 HB3 GLU A 48 20.107 13.211 12.930 1.00 4.24 H new ATOM 0 HG2 GLU A 48 19.703 13.501 10.501 1.00 40.30 H new ATOM 0 HG3 GLU A 48 19.685 15.241 10.705 1.00 40.30 H new ATOM 762 N LYS A 49 17.274 15.509 10.935 1.00 41.41 N ATOM 763 CA LYS A 49 16.699 16.703 10.315 1.00 3.55 C ATOM 764 C LYS A 49 15.356 16.354 9.658 1.00 71.45 C ATOM 765 O LYS A 49 15.291 16.048 8.467 1.00 40.05 O ATOM 766 CB LYS A 49 17.693 17.287 9.289 1.00 21.44 C ATOM 767 CG LYS A 49 17.469 18.761 8.932 1.00 13.05 C ATOM 768 CD LYS A 49 16.259 18.977 8.024 1.00 51.30 C ATOM 769 CE LYS A 49 16.088 20.445 7.646 1.00 43.25 C ATOM 770 NZ LYS A 49 17.277 20.982 6.932 1.00 54.13 N ATOM 0 H LYS A 49 17.415 14.732 10.290 1.00 41.41 H new ATOM 0 HA LYS A 49 16.514 17.460 11.077 1.00 3.55 H new ATOM 0 HB2 LYS A 49 18.704 17.174 9.681 1.00 21.44 H new ATOM 0 HB3 LYS A 49 17.637 16.695 8.375 1.00 21.44 H new ATOM 0 HG2 LYS A 49 17.336 19.335 9.849 1.00 13.05 H new ATOM 0 HG3 LYS A 49 18.360 19.150 8.439 1.00 13.05 H new ATOM 0 HD2 LYS A 49 16.373 18.380 7.119 1.00 51.30 H new ATOM 0 HD3 LYS A 49 15.359 18.624 8.528 1.00 51.30 H new ATOM 0 HE2 LYS A 49 15.206 20.556 7.015 1.00 43.25 H new ATOM 0 HE3 LYS A 49 15.911 21.032 8.547 1.00 43.25 H new ATOM 0 HZ1 LYS A 49 17.035 21.891 6.489 1.00 54.13 H new ATOM 0 HZ2 LYS A 49 18.054 21.123 7.609 1.00 54.13 H new ATOM 0 HZ3 LYS A 49 17.575 20.308 6.198 1.00 54.13 H new ATOM 784 N SER A 50 14.298 16.367 10.460 1.00 4.23 N ATOM 785 CA SER A 50 12.951 16.020 9.988 1.00 61.35 C ATOM 786 C SER A 50 11.880 16.582 10.926 1.00 74.14 C ATOM 787 O SER A 50 12.189 17.121 11.991 1.00 54.35 O ATOM 788 CB SER A 50 12.795 14.492 9.891 1.00 43.12 C ATOM 789 OG SER A 50 11.457 14.123 9.574 1.00 40.31 O ATOM 0 H SER A 50 14.342 16.615 11.448 1.00 4.23 H new ATOM 0 HA SER A 50 12.820 16.462 9.000 1.00 61.35 H new ATOM 0 HB2 SER A 50 13.471 14.104 9.129 1.00 43.12 H new ATOM 0 HB3 SER A 50 13.085 14.035 10.837 1.00 43.12 H new ATOM 0 HG SER A 50 11.247 13.263 9.994 1.00 40.31 H new ATOM 795 N GLU A 51 10.618 16.474 10.519 1.00 34.25 N ATOM 796 CA GLU A 51 9.490 16.888 11.364 1.00 24.12 C ATOM 797 C GLU A 51 8.618 15.683 11.764 1.00 53.03 C ATOM 798 O GLU A 51 7.783 15.783 12.665 1.00 42.33 O ATOM 799 CB GLU A 51 8.641 17.940 10.637 1.00 24.10 C ATOM 800 CG GLU A 51 9.403 19.212 10.273 1.00 24.41 C ATOM 801 CD GLU A 51 8.525 20.244 9.581 1.00 10.42 C ATOM 802 OE1 GLU A 51 8.399 20.191 8.340 1.00 23.02 O ATOM 803 OE2 GLU A 51 7.952 21.109 10.283 1.00 22.02 O ATOM 0 H GLU A 51 10.346 16.103 9.609 1.00 34.25 H new ATOM 0 HA GLU A 51 9.896 17.326 12.276 1.00 24.12 H new ATOM 0 HB2 GLU A 51 8.236 17.499 9.726 1.00 24.10 H new ATOM 0 HB3 GLU A 51 7.792 18.205 11.267 1.00 24.10 H new ATOM 0 HG2 GLU A 51 9.826 19.649 11.178 1.00 24.41 H new ATOM 0 HG3 GLU A 51 10.239 18.956 9.622 1.00 24.41 H new ATOM 810 N ALA A 52 8.828 14.542 11.099 1.00 65.33 N ATOM 811 CA ALA A 52 8.051 13.321 11.373 1.00 55.11 C ATOM 812 C ALA A 52 8.732 12.071 10.789 1.00 33.44 C ATOM 813 O ALA A 52 9.638 12.172 9.959 1.00 34.33 O ATOM 814 CB ALA A 52 6.633 13.458 10.818 1.00 70.21 C ATOM 0 H ALA A 52 9.529 14.435 10.366 1.00 65.33 H new ATOM 0 HA ALA A 52 8.001 13.197 12.455 1.00 55.11 H new ATOM 0 HB1 ALA A 52 6.071 12.548 11.028 1.00 70.21 H new ATOM 0 HB2 ALA A 52 6.138 14.307 11.289 1.00 70.21 H new ATOM 0 HB3 ALA A 52 6.678 13.616 9.740 1.00 70.21 H new ATOM 820 N ILE A 53 8.291 10.891 11.227 1.00 14.11 N ATOM 821 CA ILE A 53 8.845 9.616 10.743 1.00 52.22 C ATOM 822 C ILE A 53 7.733 8.605 10.406 1.00 62.43 C ATOM 823 O ILE A 53 6.920 8.244 11.261 1.00 72.24 O ATOM 824 CB ILE A 53 9.815 8.980 11.780 1.00 23.05 C ATOM 825 CG1 ILE A 53 11.079 9.844 11.937 1.00 40.41 C ATOM 826 CG2 ILE A 53 10.183 7.545 11.391 1.00 2.03 C ATOM 827 CD1 ILE A 53 12.067 9.304 12.950 1.00 2.43 C ATOM 0 H ILE A 53 7.549 10.787 11.919 1.00 14.11 H new ATOM 0 HA ILE A 53 9.401 9.849 9.835 1.00 52.22 H new ATOM 0 HB ILE A 53 9.301 8.941 12.740 1.00 23.05 H new ATOM 0 HG12 ILE A 53 11.574 9.927 10.969 1.00 40.41 H new ATOM 0 HG13 ILE A 53 10.785 10.851 12.232 1.00 40.41 H new ATOM 0 HG21 ILE A 53 10.862 7.129 12.136 1.00 2.03 H new ATOM 0 HG22 ILE A 53 9.279 6.938 11.344 1.00 2.03 H new ATOM 0 HG23 ILE A 53 10.670 7.546 10.416 1.00 2.03 H new ATOM 0 HD11 ILE A 53 12.931 9.966 13.005 1.00 2.43 H new ATOM 0 HD12 ILE A 53 11.591 9.248 13.929 1.00 2.43 H new ATOM 0 HD13 ILE A 53 12.392 8.309 12.647 1.00 2.43 H new ATOM 839 N ILE A 54 7.715 8.146 9.157 1.00 62.40 N ATOM 840 CA ILE A 54 6.747 7.137 8.709 1.00 62.00 C ATOM 841 C ILE A 54 7.396 5.746 8.691 1.00 75.10 C ATOM 842 O ILE A 54 8.308 5.483 7.903 1.00 75.23 O ATOM 843 CB ILE A 54 6.174 7.451 7.295 1.00 20.05 C ATOM 844 CG1 ILE A 54 5.374 8.771 7.291 1.00 74.15 C ATOM 845 CG2 ILE A 54 5.295 6.299 6.798 1.00 73.34 C ATOM 846 CD1 ILE A 54 6.224 10.024 7.403 1.00 53.12 C ATOM 0 H ILE A 54 8.361 8.456 8.431 1.00 62.40 H new ATOM 0 HA ILE A 54 5.921 7.157 9.420 1.00 62.00 H new ATOM 0 HB ILE A 54 7.020 7.566 6.617 1.00 20.05 H new ATOM 0 HG12 ILE A 54 4.790 8.824 6.372 1.00 74.15 H new ATOM 0 HG13 ILE A 54 4.665 8.753 8.118 1.00 74.15 H new ATOM 0 HG21 ILE A 54 4.905 6.539 5.809 1.00 73.34 H new ATOM 0 HG22 ILE A 54 5.888 5.386 6.742 1.00 73.34 H new ATOM 0 HG23 ILE A 54 4.465 6.150 7.489 1.00 73.34 H new ATOM 0 HD11 ILE A 54 5.580 10.903 7.392 1.00 53.12 H new ATOM 0 HD12 ILE A 54 6.788 9.999 8.335 1.00 53.12 H new ATOM 0 HD13 ILE A 54 6.916 10.071 6.562 1.00 53.12 H new ATOM 858 N GLN A 55 6.926 4.860 9.565 1.00 62.44 N ATOM 859 CA GLN A 55 7.500 3.513 9.687 1.00 72.23 C ATOM 860 C GLN A 55 6.625 2.456 9.006 1.00 32.45 C ATOM 861 O GLN A 55 5.568 2.094 9.515 1.00 75.01 O ATOM 862 CB GLN A 55 7.678 3.145 11.169 1.00 31.21 C ATOM 863 CG GLN A 55 8.280 1.757 11.387 1.00 4.11 C ATOM 864 CD GLN A 55 8.244 1.312 12.840 1.00 4.11 C ATOM 865 OE1 GLN A 55 8.298 2.121 13.760 1.00 32.13 O ATOM 866 NE2 GLN A 55 8.167 0.016 13.056 1.00 63.05 N ATOM 0 H GLN A 55 6.150 5.045 10.201 1.00 62.44 H new ATOM 0 HA GLN A 55 8.469 3.527 9.187 1.00 72.23 H new ATOM 0 HB2 GLN A 55 8.318 3.888 11.645 1.00 31.21 H new ATOM 0 HB3 GLN A 55 6.709 3.194 11.666 1.00 31.21 H new ATOM 0 HG2 GLN A 55 7.738 1.033 10.778 1.00 4.11 H new ATOM 0 HG3 GLN A 55 9.313 1.757 11.039 1.00 4.11 H new ATOM 0 HE21 GLN A 55 8.124 -0.631 12.268 1.00 63.05 H new ATOM 0 HE22 GLN A 55 8.151 -0.342 14.011 1.00 63.05 H new ATOM 875 N ILE A 56 7.062 1.955 7.858 1.00 44.12 N ATOM 876 CA ILE A 56 6.357 0.852 7.209 1.00 52.32 C ATOM 877 C ILE A 56 6.919 -0.488 7.723 1.00 75.41 C ATOM 878 O ILE A 56 8.036 -0.888 7.395 1.00 52.11 O ATOM 879 CB ILE A 56 6.414 0.962 5.651 1.00 43.43 C ATOM 880 CG1 ILE A 56 5.466 -0.056 4.967 1.00 24.03 C ATOM 881 CG2 ILE A 56 7.840 0.821 5.122 1.00 32.33 C ATOM 882 CD1 ILE A 56 5.952 -1.496 4.955 1.00 71.21 C ATOM 0 H ILE A 56 7.889 2.287 7.361 1.00 44.12 H new ATOM 0 HA ILE A 56 5.300 0.905 7.471 1.00 52.32 H new ATOM 0 HB ILE A 56 6.065 1.963 5.395 1.00 43.43 H new ATOM 0 HG12 ILE A 56 4.500 -0.021 5.470 1.00 24.03 H new ATOM 0 HG13 ILE A 56 5.301 0.262 3.938 1.00 24.03 H new ATOM 0 HG21 ILE A 56 7.835 0.903 4.035 1.00 32.33 H new ATOM 0 HG22 ILE A 56 8.464 1.610 5.543 1.00 32.33 H new ATOM 0 HG23 ILE A 56 8.241 -0.151 5.410 1.00 32.33 H new ATOM 0 HD11 ILE A 56 5.216 -2.124 4.454 1.00 71.21 H new ATOM 0 HD12 ILE A 56 6.902 -1.555 4.423 1.00 71.21 H new ATOM 0 HD13 ILE A 56 6.088 -1.843 5.979 1.00 71.21 H new ATOM 894 N VAL A 57 6.136 -1.166 8.558 1.00 14.53 N ATOM 895 CA VAL A 57 6.592 -2.383 9.240 1.00 4.10 C ATOM 896 C VAL A 57 6.790 -3.555 8.265 1.00 35.24 C ATOM 897 O VAL A 57 7.889 -4.108 8.159 1.00 15.22 O ATOM 898 CB VAL A 57 5.595 -2.797 10.356 1.00 74.53 C ATOM 899 CG1 VAL A 57 6.081 -4.048 11.091 1.00 51.00 C ATOM 900 CG2 VAL A 57 5.369 -1.642 11.332 1.00 42.32 C ATOM 0 H VAL A 57 5.178 -0.895 8.782 1.00 14.53 H new ATOM 0 HA VAL A 57 7.559 -2.149 9.686 1.00 4.10 H new ATOM 0 HB VAL A 57 4.641 -3.037 9.886 1.00 74.53 H new ATOM 0 HG11 VAL A 57 5.364 -4.316 11.867 1.00 51.00 H new ATOM 0 HG12 VAL A 57 6.175 -4.872 10.384 1.00 51.00 H new ATOM 0 HG13 VAL A 57 7.051 -3.849 11.546 1.00 51.00 H new ATOM 0 HG21 VAL A 57 4.667 -1.952 12.106 1.00 42.32 H new ATOM 0 HG22 VAL A 57 6.317 -1.363 11.792 1.00 42.32 H new ATOM 0 HG23 VAL A 57 4.961 -0.786 10.795 1.00 42.32 H new ATOM 910 N HIS A 58 5.731 -3.929 7.547 1.00 1.14 N ATOM 911 CA HIS A 58 5.792 -5.077 6.634 1.00 20.10 C ATOM 912 C HIS A 58 4.573 -5.116 5.691 1.00 73.55 C ATOM 913 O HIS A 58 3.438 -4.881 6.111 1.00 43.20 O ATOM 914 CB HIS A 58 5.888 -6.378 7.449 1.00 3.41 C ATOM 915 CG HIS A 58 6.228 -7.595 6.638 1.00 71.23 C ATOM 916 ND1 HIS A 58 5.465 -8.640 6.241 1.00 65.40 N flip ATOM 917 CD2 HIS A 58 7.492 -7.844 6.148 1.00 71.42 C flip ATOM 918 CE1 HIS A 58 6.274 -9.488 5.530 1.00 21.24 C flip ATOM 919 NE2 HIS A 58 7.491 -8.985 5.489 1.00 24.21 N flip ATOM 0 H HIS A 58 4.826 -3.460 7.577 1.00 1.14 H new ATOM 0 HA HIS A 58 6.680 -4.974 6.011 1.00 20.10 H new ATOM 0 HB2 HIS A 58 6.643 -6.251 8.225 1.00 3.41 H new ATOM 0 HB3 HIS A 58 4.937 -6.547 7.954 1.00 3.41 H new ATOM 0 HD2 HIS A 58 8.351 -7.203 6.283 1.00 71.42 H new ATOM 0 HE1 HIS A 58 5.964 -10.418 5.077 1.00 21.24 H new ATOM 0 HE2 HIS A 58 8.296 -9.407 5.026 1.00 24.21 H new ATOM 928 N ALA A 59 4.822 -5.404 4.413 1.00 24.55 N ATOM 929 CA ALA A 59 3.755 -5.518 3.409 1.00 41.22 C ATOM 930 C ALA A 59 3.509 -6.989 3.028 1.00 0.21 C ATOM 931 O ALA A 59 4.365 -7.633 2.419 1.00 44.34 O ATOM 932 CB ALA A 59 4.110 -4.700 2.170 1.00 13.52 C ATOM 0 H ALA A 59 5.759 -5.564 4.043 1.00 24.55 H new ATOM 0 HA ALA A 59 2.835 -5.124 3.842 1.00 41.22 H new ATOM 0 HB1 ALA A 59 3.312 -4.792 1.433 1.00 13.52 H new ATOM 0 HB2 ALA A 59 4.229 -3.653 2.447 1.00 13.52 H new ATOM 0 HB3 ALA A 59 5.042 -5.071 1.744 1.00 13.52 H new ATOM 938 N ILE A 60 2.344 -7.517 3.401 1.00 24.42 N ATOM 939 CA ILE A 60 2.002 -8.924 3.140 1.00 51.43 C ATOM 940 C ILE A 60 1.096 -9.060 1.907 1.00 45.11 C ATOM 941 O ILE A 60 -0.045 -8.604 1.918 1.00 32.45 O ATOM 942 CB ILE A 60 1.272 -9.585 4.347 1.00 64.15 C ATOM 943 CG1 ILE A 60 2.067 -9.420 5.659 1.00 23.24 C ATOM 944 CG2 ILE A 60 1.010 -11.066 4.067 1.00 44.31 C ATOM 945 CD1 ILE A 60 1.971 -8.038 6.279 1.00 53.32 C ATOM 0 H ILE A 60 1.616 -6.994 3.887 1.00 24.42 H new ATOM 0 HA ILE A 60 2.950 -9.433 2.968 1.00 51.43 H new ATOM 0 HB ILE A 60 0.318 -9.072 4.473 1.00 64.15 H new ATOM 0 HG12 ILE A 60 1.710 -10.155 6.381 1.00 23.24 H new ATOM 0 HG13 ILE A 60 3.116 -9.646 5.465 1.00 23.24 H new ATOM 0 HG21 ILE A 60 0.499 -11.513 4.920 1.00 44.31 H new ATOM 0 HG22 ILE A 60 0.386 -11.163 3.179 1.00 44.31 H new ATOM 0 HG23 ILE A 60 1.958 -11.578 3.902 1.00 44.31 H new ATOM 0 HD11 ILE A 60 2.558 -8.009 7.197 1.00 53.32 H new ATOM 0 HD12 ILE A 60 2.356 -7.297 5.578 1.00 53.32 H new ATOM 0 HD13 ILE A 60 0.929 -7.813 6.508 1.00 53.32 H new ATOM 957 N ARG A 61 1.599 -9.697 0.851 1.00 63.32 N ATOM 958 CA ARG A 61 0.790 -9.958 -0.349 1.00 12.15 C ATOM 959 C ARG A 61 0.606 -11.476 -0.550 1.00 54.24 C ATOM 960 O ARG A 61 1.579 -12.234 -0.541 1.00 53.44 O ATOM 961 CB ARG A 61 1.421 -9.317 -1.610 1.00 74.33 C ATOM 962 CG ARG A 61 2.647 -10.047 -2.166 1.00 31.15 C ATOM 963 CD ARG A 61 3.889 -9.875 -1.295 1.00 24.52 C ATOM 964 NE ARG A 61 4.840 -10.972 -1.483 1.00 0.24 N ATOM 965 CZ ARG A 61 6.061 -10.832 -1.924 1.00 24.53 C ATOM 966 NH1 ARG A 61 6.516 -9.672 -2.267 1.00 75.41 N ATOM 967 NH2 ARG A 61 6.832 -11.862 -2.027 1.00 33.31 N ATOM 0 H ARG A 61 2.557 -10.042 0.797 1.00 63.32 H new ATOM 0 HA ARG A 61 -0.188 -9.500 -0.199 1.00 12.15 H new ATOM 0 HB2 ARG A 61 0.662 -9.266 -2.391 1.00 74.33 H new ATOM 0 HB3 ARG A 61 1.704 -8.291 -1.374 1.00 74.33 H new ATOM 0 HG2 ARG A 61 2.419 -11.109 -2.259 1.00 31.15 H new ATOM 0 HG3 ARG A 61 2.859 -9.677 -3.169 1.00 31.15 H new ATOM 0 HD2 ARG A 61 4.373 -8.929 -1.535 1.00 24.52 H new ATOM 0 HD3 ARG A 61 3.594 -9.825 -0.247 1.00 24.52 H new ATOM 0 HE ARG A 61 4.526 -11.915 -1.253 1.00 0.24 H new ATOM 0 HH11 ARG A 61 5.919 -8.848 -2.195 1.00 75.41 H new ATOM 0 HH12 ARG A 61 7.472 -9.580 -2.610 1.00 75.41 H new ATOM 0 HH21 ARG A 61 6.487 -12.785 -1.764 1.00 33.31 H new ATOM 0 HH22 ARG A 61 7.786 -11.753 -2.372 1.00 33.31 H new ATOM 981 N GLU A 62 -0.640 -11.922 -0.703 1.00 40.50 N ATOM 982 CA GLU A 62 -0.933 -13.353 -0.890 1.00 5.51 C ATOM 983 C GLU A 62 -2.045 -13.570 -1.928 1.00 71.43 C ATOM 984 O GLU A 62 -2.956 -12.751 -2.064 1.00 30.21 O ATOM 985 CB GLU A 62 -1.348 -13.996 0.445 1.00 11.53 C ATOM 986 CG GLU A 62 -0.331 -13.819 1.570 1.00 11.42 C ATOM 987 CD GLU A 62 -0.756 -14.495 2.865 1.00 51.34 C ATOM 988 OE1 GLU A 62 -1.782 -14.089 3.449 1.00 52.42 O ATOM 989 OE2 GLU A 62 -0.063 -15.436 3.307 1.00 11.04 O ATOM 0 H GLU A 62 -1.464 -11.320 -0.702 1.00 40.50 H new ATOM 0 HA GLU A 62 -0.022 -13.826 -1.256 1.00 5.51 H new ATOM 0 HB2 GLU A 62 -2.300 -13.568 0.761 1.00 11.53 H new ATOM 0 HB3 GLU A 62 -1.514 -15.061 0.286 1.00 11.53 H new ATOM 0 HG2 GLU A 62 0.629 -14.226 1.252 1.00 11.42 H new ATOM 0 HG3 GLU A 62 -0.182 -12.755 1.754 1.00 11.42 H new ATOM 996 N LYS A 63 -1.968 -14.684 -2.654 1.00 2.42 N ATOM 997 CA LYS A 63 -2.989 -15.038 -3.649 1.00 24.32 C ATOM 998 C LYS A 63 -3.715 -16.336 -3.260 1.00 71.21 C ATOM 999 O LYS A 63 -3.099 -17.392 -3.108 1.00 62.42 O ATOM 1000 CB LYS A 63 -2.377 -15.155 -5.059 1.00 54.53 C ATOM 1001 CG LYS A 63 -1.045 -15.912 -5.132 1.00 35.14 C ATOM 1002 CD LYS A 63 0.158 -14.995 -4.892 1.00 42.12 C ATOM 1003 CE LYS A 63 0.230 -13.876 -5.932 1.00 22.01 C ATOM 1004 NZ LYS A 63 1.428 -13.011 -5.758 1.00 62.12 N ATOM 0 H LYS A 63 -1.209 -15.361 -2.574 1.00 2.42 H new ATOM 0 HA LYS A 63 -3.724 -14.233 -3.668 1.00 24.32 H new ATOM 0 HB2 LYS A 63 -3.096 -15.653 -5.709 1.00 54.53 H new ATOM 0 HB3 LYS A 63 -2.229 -14.151 -5.458 1.00 54.53 H new ATOM 0 HG2 LYS A 63 -1.043 -16.712 -4.391 1.00 35.14 H new ATOM 0 HG3 LYS A 63 -0.950 -16.383 -6.110 1.00 35.14 H new ATOM 0 HD2 LYS A 63 0.092 -14.561 -3.894 1.00 42.12 H new ATOM 0 HD3 LYS A 63 1.076 -15.582 -4.924 1.00 42.12 H new ATOM 0 HE2 LYS A 63 0.244 -14.313 -6.930 1.00 22.01 H new ATOM 0 HE3 LYS A 63 -0.669 -13.263 -5.864 1.00 22.01 H new ATOM 0 HZ1 LYS A 63 1.429 -12.269 -6.487 1.00 62.12 H new ATOM 0 HZ2 LYS A 63 1.404 -12.571 -4.816 1.00 62.12 H new ATOM 0 HZ3 LYS A 63 2.289 -13.588 -5.849 1.00 62.12 H new ATOM 1018 N ARG A 64 -5.034 -16.244 -3.110 1.00 13.41 N ATOM 1019 CA ARG A 64 -5.854 -17.346 -2.587 1.00 35.42 C ATOM 1020 C ARG A 64 -6.989 -17.739 -3.551 1.00 4.33 C ATOM 1021 O ARG A 64 -7.178 -17.123 -4.600 1.00 22.50 O ATOM 1022 CB ARG A 64 -6.456 -16.917 -1.242 1.00 23.20 C ATOM 1023 CG ARG A 64 -5.419 -16.674 -0.149 1.00 1.33 C ATOM 1024 CD ARG A 64 -5.970 -15.803 0.977 1.00 61.24 C ATOM 1025 NE ARG A 64 -7.277 -16.260 1.449 1.00 42.50 N ATOM 1026 CZ ARG A 64 -7.543 -16.599 2.680 1.00 64.12 C ATOM 1027 NH1 ARG A 64 -6.608 -16.616 3.576 1.00 14.43 N ATOM 1028 NH2 ARG A 64 -8.748 -16.932 3.007 1.00 22.24 N ATOM 0 H ARG A 64 -5.568 -15.408 -3.345 1.00 13.41 H new ATOM 0 HA ARG A 64 -5.211 -18.218 -2.468 1.00 35.42 H new ATOM 0 HB2 ARG A 64 -7.035 -16.005 -1.389 1.00 23.20 H new ATOM 0 HB3 ARG A 64 -7.151 -17.686 -0.905 1.00 23.20 H new ATOM 0 HG2 ARG A 64 -5.091 -17.630 0.259 1.00 1.33 H new ATOM 0 HG3 ARG A 64 -4.541 -16.195 -0.582 1.00 1.33 H new ATOM 0 HD2 ARG A 64 -5.266 -15.803 1.809 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -6.052 -14.773 0.629 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.034 -16.318 0.767 1.00 42.50 H new ATOM 0 HH11 ARG A 64 -5.653 -16.363 3.322 1.00 14.43 H new ATOM 0 HH12 ARG A 64 -6.826 -16.883 4.536 1.00 14.43 H new ATOM 0 HH21 ARG A 64 -9.487 -16.929 2.304 1.00 22.24 H new ATOM 0 HH22 ARG A 64 -8.961 -17.198 3.969 1.00 22.24 H new ATOM 1042 N ILE A 65 -7.745 -18.772 -3.179 1.00 53.50 N ATOM 1043 CA ILE A 65 -8.926 -19.204 -3.942 1.00 51.54 C ATOM 1044 C ILE A 65 -10.227 -18.782 -3.244 1.00 42.11 C ATOM 1045 O ILE A 65 -10.372 -18.926 -2.030 1.00 44.23 O ATOM 1046 CB ILE A 65 -8.927 -20.747 -4.165 1.00 35.24 C ATOM 1047 CG1 ILE A 65 -8.093 -21.114 -5.403 1.00 20.24 C ATOM 1048 CG2 ILE A 65 -10.348 -21.303 -4.295 1.00 34.44 C ATOM 1049 CD1 ILE A 65 -8.679 -20.591 -6.703 1.00 74.51 C ATOM 0 H ILE A 65 -7.562 -19.332 -2.347 1.00 53.50 H new ATOM 0 HA ILE A 65 -8.873 -18.711 -4.913 1.00 51.54 H new ATOM 0 HB ILE A 65 -8.474 -21.204 -3.285 1.00 35.24 H new ATOM 0 HG12 ILE A 65 -7.085 -20.718 -5.283 1.00 20.24 H new ATOM 0 HG13 ILE A 65 -8.005 -22.199 -5.464 1.00 20.24 H new ATOM 0 HG21 ILE A 65 -10.304 -22.381 -4.449 1.00 34.44 H new ATOM 0 HG22 ILE A 65 -10.907 -21.089 -3.384 1.00 34.44 H new ATOM 0 HG23 ILE A 65 -10.846 -20.835 -5.144 1.00 34.44 H new ATOM 0 HD11 ILE A 65 -8.040 -20.886 -7.535 1.00 74.51 H new ATOM 0 HD12 ILE A 65 -9.676 -21.007 -6.846 1.00 74.51 H new ATOM 0 HD13 ILE A 65 -8.742 -19.504 -6.662 1.00 74.51 H new ATOM 1061 N LEU A 66 -11.164 -18.253 -4.027 1.00 43.45 N ATOM 1062 CA LEU A 66 -12.483 -17.865 -3.517 1.00 2.54 C ATOM 1063 C LEU A 66 -13.551 -18.908 -3.891 1.00 33.41 C ATOM 1064 O LEU A 66 -14.457 -19.199 -3.105 1.00 14.43 O ATOM 1065 CB LEU A 66 -12.874 -16.489 -4.074 1.00 15.41 C ATOM 1066 CG LEU A 66 -14.180 -15.897 -3.515 1.00 23.23 C ATOM 1067 CD1 LEU A 66 -14.068 -15.658 -2.011 1.00 41.03 C ATOM 1068 CD2 LEU A 66 -14.544 -14.605 -4.243 1.00 53.14 C ATOM 0 H LEU A 66 -11.036 -18.081 -5.024 1.00 43.45 H new ATOM 0 HA LEU A 66 -12.427 -17.813 -2.430 1.00 2.54 H new ATOM 0 HB2 LEU A 66 -12.062 -15.790 -3.872 1.00 15.41 H new ATOM 0 HB3 LEU A 66 -12.965 -16.567 -5.157 1.00 15.41 H new ATOM 0 HG LEU A 66 -14.979 -16.619 -3.684 1.00 23.23 H new ATOM 0 HD11 LEU A 66 -15.003 -15.239 -1.639 1.00 41.03 H new ATOM 0 HD12 LEU A 66 -13.867 -16.603 -1.506 1.00 41.03 H new ATOM 0 HD13 LEU A 66 -13.254 -14.961 -1.813 1.00 41.03 H new ATOM 0 HD21 LEU A 66 -15.470 -14.204 -3.832 1.00 53.14 H new ATOM 0 HD22 LEU A 66 -13.744 -13.876 -4.113 1.00 53.14 H new ATOM 0 HD23 LEU A 66 -14.678 -14.811 -5.305 1.00 53.14 H new ATOM 1080 N SER A 67 -13.440 -19.476 -5.094 1.00 14.34 N ATOM 1081 CA SER A 67 -14.413 -20.471 -5.576 1.00 2.44 C ATOM 1082 C SER A 67 -13.781 -21.472 -6.551 1.00 62.32 C ATOM 1083 O SER A 67 -12.919 -21.114 -7.358 1.00 53.33 O ATOM 1084 CB SER A 67 -15.602 -19.779 -6.264 1.00 63.41 C ATOM 1085 OG SER A 67 -16.544 -20.729 -6.743 1.00 74.35 O ATOM 0 H SER A 67 -12.690 -19.268 -5.754 1.00 14.34 H new ATOM 0 HA SER A 67 -14.760 -21.019 -4.700 1.00 2.44 H new ATOM 0 HB2 SER A 67 -16.089 -19.103 -5.561 1.00 63.41 H new ATOM 0 HB3 SER A 67 -15.242 -19.171 -7.093 1.00 63.41 H new ATOM 0 HG SER A 67 -17.411 -20.575 -6.314 1.00 74.35 H new ATOM 1091 N LEU A 68 -14.223 -22.727 -6.464 1.00 73.33 N ATOM 1092 CA LEU A 68 -13.780 -23.792 -7.376 1.00 23.03 C ATOM 1093 C LEU A 68 -14.987 -24.501 -8.008 1.00 34.35 C ATOM 1094 O LEU A 68 -16.061 -24.572 -7.406 1.00 54.32 O ATOM 1095 CB LEU A 68 -12.920 -24.827 -6.629 1.00 34.04 C ATOM 1096 CG LEU A 68 -11.588 -24.306 -6.064 1.00 42.11 C ATOM 1097 CD1 LEU A 68 -10.880 -25.392 -5.257 1.00 11.44 C ATOM 1098 CD2 LEU A 68 -10.690 -23.798 -7.191 1.00 20.40 C ATOM 0 H LEU A 68 -14.896 -23.037 -5.763 1.00 73.33 H new ATOM 0 HA LEU A 68 -13.182 -23.329 -8.161 1.00 23.03 H new ATOM 0 HB2 LEU A 68 -13.508 -25.234 -5.806 1.00 34.04 H new ATOM 0 HB3 LEU A 68 -12.707 -25.653 -7.308 1.00 34.04 H new ATOM 0 HG LEU A 68 -11.803 -23.473 -5.395 1.00 42.11 H new ATOM 0 HD11 LEU A 68 -9.940 -25.001 -4.867 1.00 11.44 H new ATOM 0 HD12 LEU A 68 -11.516 -25.702 -4.428 1.00 11.44 H new ATOM 0 HD13 LEU A 68 -10.678 -26.249 -5.899 1.00 11.44 H new ATOM 0 HD21 LEU A 68 -9.752 -23.433 -6.772 1.00 20.40 H new ATOM 0 HD22 LEU A 68 -10.485 -24.611 -7.887 1.00 20.40 H new ATOM 0 HD23 LEU A 68 -11.192 -22.987 -7.718 1.00 20.40 H new ATOM 1110 N SER A 69 -14.811 -25.020 -9.218 1.00 61.41 N ATOM 1111 CA SER A 69 -15.879 -25.766 -9.904 1.00 51.21 C ATOM 1112 C SER A 69 -15.369 -27.102 -10.462 1.00 4.22 C ATOM 1113 O SER A 69 -14.210 -27.223 -10.858 1.00 64.21 O ATOM 1114 CB SER A 69 -16.478 -24.925 -11.041 1.00 20.44 C ATOM 1115 OG SER A 69 -15.496 -24.580 -12.006 1.00 63.02 O ATOM 0 H SER A 69 -13.944 -24.942 -9.750 1.00 61.41 H new ATOM 0 HA SER A 69 -16.652 -25.979 -9.166 1.00 51.21 H new ATOM 0 HB2 SER A 69 -17.282 -25.482 -11.522 1.00 20.44 H new ATOM 0 HB3 SER A 69 -16.920 -24.018 -10.630 1.00 20.44 H new ATOM 0 HG SER A 69 -15.909 -24.047 -12.717 1.00 63.02 H new ATOM 1121 N GLU A 70 -16.252 -28.104 -10.466 1.00 12.32 N ATOM 1122 CA GLU A 70 -15.965 -29.433 -11.027 1.00 23.43 C ATOM 1123 C GLU A 70 -14.605 -30.004 -10.566 1.00 63.24 C ATOM 1124 O GLU A 70 -13.598 -29.910 -11.277 1.00 34.34 O ATOM 1125 CB GLU A 70 -16.050 -29.398 -12.566 1.00 23.31 C ATOM 1126 CG GLU A 70 -15.798 -30.748 -13.242 1.00 53.33 C ATOM 1127 CD GLU A 70 -16.699 -31.862 -12.720 1.00 41.25 C ATOM 1128 OE1 GLU A 70 -17.861 -31.962 -13.168 1.00 31.15 O ATOM 1129 OE2 GLU A 70 -16.244 -32.649 -11.861 1.00 25.41 O ATOM 0 H GLU A 70 -17.192 -28.019 -10.079 1.00 12.32 H new ATOM 0 HA GLU A 70 -16.729 -30.108 -10.641 1.00 23.43 H new ATOM 0 HB2 GLU A 70 -17.038 -29.039 -12.856 1.00 23.31 H new ATOM 0 HB3 GLU A 70 -15.325 -28.676 -12.942 1.00 23.31 H new ATOM 0 HG2 GLU A 70 -15.948 -30.642 -14.316 1.00 53.33 H new ATOM 0 HG3 GLU A 70 -14.756 -31.033 -13.092 1.00 53.33 H new ATOM 1136 N SER A 71 -14.589 -30.569 -9.357 1.00 33.10 N ATOM 1137 CA SER A 71 -13.424 -31.301 -8.821 1.00 52.45 C ATOM 1138 C SER A 71 -12.278 -30.371 -8.373 1.00 41.11 C ATOM 1139 O SER A 71 -11.780 -30.496 -7.252 1.00 65.22 O ATOM 1140 CB SER A 71 -12.903 -32.331 -9.838 1.00 11.42 C ATOM 1141 OG SER A 71 -13.902 -33.293 -10.153 1.00 21.42 O ATOM 0 H SER A 71 -15.382 -30.536 -8.716 1.00 33.10 H new ATOM 0 HA SER A 71 -13.779 -31.821 -7.931 1.00 52.45 H new ATOM 0 HB2 SER A 71 -12.587 -31.820 -10.747 1.00 11.42 H new ATOM 0 HB3 SER A 71 -12.025 -32.834 -9.433 1.00 11.42 H new ATOM 0 HG SER A 71 -14.576 -32.886 -10.736 1.00 21.42 H new ATOM 1147 N GLY A 72 -11.845 -29.453 -9.238 1.00 33.33 N ATOM 1148 CA GLY A 72 -10.758 -28.543 -8.868 1.00 61.23 C ATOM 1149 C GLY A 72 -10.400 -27.521 -9.945 1.00 24.40 C ATOM 1150 O GLY A 72 -9.222 -27.217 -10.154 1.00 13.13 O ATOM 0 H GLY A 72 -12.219 -29.320 -10.178 1.00 33.33 H new ATOM 0 HA2 GLY A 72 -11.038 -28.012 -7.958 1.00 61.23 H new ATOM 0 HA3 GLY A 72 -9.871 -29.132 -8.633 1.00 61.23 H new ATOM 1154 N ARG A 73 -11.405 -26.983 -10.633 1.00 30.25 N ATOM 1155 CA ARG A 73 -11.169 -25.927 -11.626 1.00 63.21 C ATOM 1156 C ARG A 73 -11.270 -24.536 -10.974 1.00 73.34 C ATOM 1157 O ARG A 73 -12.220 -24.244 -10.247 1.00 1.20 O ATOM 1158 CB ARG A 73 -12.158 -26.049 -12.803 1.00 44.24 C ATOM 1159 CG ARG A 73 -11.486 -26.357 -14.141 1.00 51.41 C ATOM 1160 CD ARG A 73 -10.781 -27.711 -14.136 1.00 13.12 C ATOM 1161 NE ARG A 73 -10.025 -27.937 -15.367 1.00 43.15 N ATOM 1162 CZ ARG A 73 -9.710 -29.114 -15.838 1.00 50.24 C ATOM 1163 NH1 ARG A 73 -10.073 -30.194 -15.225 1.00 41.23 N ATOM 1164 NH2 ARG A 73 -9.033 -29.206 -16.934 1.00 22.23 N ATOM 0 H ARG A 73 -12.382 -27.255 -10.526 1.00 30.25 H new ATOM 0 HA ARG A 73 -10.159 -26.050 -12.018 1.00 63.21 H new ATOM 0 HB2 ARG A 73 -12.880 -26.835 -12.580 1.00 44.24 H new ATOM 0 HB3 ARG A 73 -12.718 -25.118 -12.893 1.00 44.24 H new ATOM 0 HG2 ARG A 73 -12.235 -26.342 -14.933 1.00 51.41 H new ATOM 0 HG3 ARG A 73 -10.763 -25.574 -14.371 1.00 51.41 H new ATOM 0 HD2 ARG A 73 -10.107 -27.766 -13.281 1.00 13.12 H new ATOM 0 HD3 ARG A 73 -11.519 -28.504 -14.012 1.00 13.12 H new ATOM 0 HE ARG A 73 -9.722 -27.118 -15.895 1.00 43.15 H new ATOM 0 HH11 ARG A 73 -10.613 -30.133 -14.362 1.00 41.23 H new ATOM 0 HH12 ARG A 73 -9.819 -31.106 -15.605 1.00 41.23 H new ATOM 0 HH21 ARG A 73 -8.746 -28.361 -17.429 1.00 22.23 H new ATOM 0 HH22 ARG A 73 -8.785 -30.123 -17.305 1.00 22.23 H new ATOM 1178 N VAL A 74 -10.277 -23.691 -11.234 1.00 15.21 N ATOM 1179 CA VAL A 74 -10.214 -22.352 -10.636 1.00 21.21 C ATOM 1180 C VAL A 74 -11.280 -21.408 -11.219 1.00 31.33 C ATOM 1181 O VAL A 74 -11.462 -21.337 -12.432 1.00 45.12 O ATOM 1182 CB VAL A 74 -8.810 -21.723 -10.841 1.00 10.12 C ATOM 1183 CG1 VAL A 74 -8.746 -20.304 -10.272 1.00 12.30 C ATOM 1184 CG2 VAL A 74 -7.729 -22.607 -10.219 1.00 73.30 C ATOM 0 H VAL A 74 -9.499 -23.907 -11.857 1.00 15.21 H new ATOM 0 HA VAL A 74 -10.410 -22.476 -9.571 1.00 21.21 H new ATOM 0 HB VAL A 74 -8.627 -21.657 -11.913 1.00 10.12 H new ATOM 0 HG11 VAL A 74 -7.749 -19.892 -10.432 1.00 12.30 H new ATOM 0 HG12 VAL A 74 -9.483 -19.677 -10.774 1.00 12.30 H new ATOM 0 HG13 VAL A 74 -8.960 -20.330 -9.204 1.00 12.30 H new ATOM 0 HG21 VAL A 74 -6.752 -22.149 -10.373 1.00 73.30 H new ATOM 0 HG22 VAL A 74 -7.916 -22.713 -9.150 1.00 73.30 H new ATOM 0 HG23 VAL A 74 -7.748 -23.590 -10.690 1.00 73.30 H new ATOM 1194 N ARG A 75 -11.992 -20.701 -10.342 1.00 32.25 N ATOM 1195 CA ARG A 75 -12.950 -19.670 -10.767 1.00 44.23 C ATOM 1196 C ARG A 75 -12.469 -18.261 -10.385 1.00 30.32 C ATOM 1197 O ARG A 75 -12.071 -17.470 -11.239 1.00 21.44 O ATOM 1198 CB ARG A 75 -14.333 -19.914 -10.144 1.00 53.14 C ATOM 1199 CG ARG A 75 -15.067 -21.140 -10.680 1.00 3.10 C ATOM 1200 CD ARG A 75 -16.525 -21.139 -10.227 1.00 12.14 C ATOM 1201 NE ARG A 75 -17.198 -19.892 -10.599 1.00 74.32 N ATOM 1202 CZ ARG A 75 -17.869 -19.135 -9.771 1.00 54.32 C ATOM 1203 NH1 ARG A 75 -18.004 -19.460 -8.526 1.00 64.21 N ATOM 1204 NH2 ARG A 75 -18.386 -18.030 -10.189 1.00 32.00 N ATOM 0 H ARG A 75 -11.926 -20.820 -9.331 1.00 32.25 H new ATOM 0 HA ARG A 75 -13.024 -19.735 -11.853 1.00 44.23 H new ATOM 0 HB2 ARG A 75 -14.217 -20.020 -9.065 1.00 53.14 H new ATOM 0 HB3 ARG A 75 -14.953 -19.034 -10.313 1.00 53.14 H new ATOM 0 HG2 ARG A 75 -15.020 -21.151 -11.769 1.00 3.10 H new ATOM 0 HG3 ARG A 75 -14.573 -22.047 -10.331 1.00 3.10 H new ATOM 0 HD2 ARG A 75 -17.048 -21.984 -10.675 1.00 12.14 H new ATOM 0 HD3 ARG A 75 -16.572 -21.272 -9.146 1.00 12.14 H new ATOM 0 HE ARG A 75 -17.139 -19.593 -11.573 1.00 74.32 H new ATOM 0 HH11 ARG A 75 -17.583 -20.320 -8.175 1.00 64.21 H new ATOM 0 HH12 ARG A 75 -18.531 -18.856 -7.896 1.00 64.21 H new ATOM 0 HH21 ARG A 75 -18.271 -17.749 -11.163 1.00 32.00 H new ATOM 0 HH22 ARG A 75 -18.910 -17.437 -9.546 1.00 32.00 H new ATOM 1218 N GLU A 76 -12.514 -17.952 -9.088 1.00 33.35 N ATOM 1219 CA GLU A 76 -12.163 -16.615 -8.597 1.00 13.31 C ATOM 1220 C GLU A 76 -10.953 -16.671 -7.654 1.00 22.23 C ATOM 1221 O GLU A 76 -10.898 -17.499 -6.741 1.00 52.01 O ATOM 1222 CB GLU A 76 -13.367 -15.987 -7.879 1.00 70.44 C ATOM 1223 CG GLU A 76 -14.645 -16.013 -8.711 1.00 62.32 C ATOM 1224 CD GLU A 76 -15.825 -15.346 -8.018 1.00 71.13 C ATOM 1225 OE1 GLU A 76 -16.361 -15.934 -7.053 1.00 14.23 O ATOM 1226 OE2 GLU A 76 -16.222 -14.240 -8.442 1.00 45.31 O ATOM 0 H GLU A 76 -12.790 -18.608 -8.357 1.00 33.35 H new ATOM 0 HA GLU A 76 -11.894 -15.997 -9.453 1.00 13.31 H new ATOM 0 HB2 GLU A 76 -13.540 -16.517 -6.943 1.00 70.44 H new ATOM 0 HB3 GLU A 76 -13.130 -14.955 -7.622 1.00 70.44 H new ATOM 0 HG2 GLU A 76 -14.462 -15.514 -9.663 1.00 62.32 H new ATOM 0 HG3 GLU A 76 -14.902 -17.048 -8.938 1.00 62.32 H new ATOM 1233 N PHE A 77 -9.990 -15.783 -7.883 1.00 53.45 N ATOM 1234 CA PHE A 77 -8.749 -15.740 -7.099 1.00 64.33 C ATOM 1235 C PHE A 77 -8.771 -14.564 -6.102 1.00 12.52 C ATOM 1236 O PHE A 77 -8.897 -13.406 -6.503 1.00 22.44 O ATOM 1237 CB PHE A 77 -7.542 -15.615 -8.055 1.00 31.15 C ATOM 1238 CG PHE A 77 -6.430 -16.602 -7.791 1.00 14.12 C ATOM 1239 CD1 PHE A 77 -6.681 -17.968 -7.806 1.00 64.22 C ATOM 1240 CD2 PHE A 77 -5.135 -16.169 -7.546 1.00 15.13 C ATOM 1241 CE1 PHE A 77 -5.663 -18.875 -7.580 1.00 32.50 C ATOM 1242 CE2 PHE A 77 -4.118 -17.075 -7.318 1.00 45.05 C ATOM 1243 CZ PHE A 77 -4.381 -18.429 -7.335 1.00 42.23 C ATOM 0 H PHE A 77 -10.043 -15.073 -8.614 1.00 53.45 H new ATOM 0 HA PHE A 77 -8.661 -16.663 -6.526 1.00 64.33 H new ATOM 0 HB2 PHE A 77 -7.891 -15.745 -9.079 1.00 31.15 H new ATOM 0 HB3 PHE A 77 -7.139 -14.605 -7.981 1.00 31.15 H new ATOM 0 HD1 PHE A 77 -7.682 -18.325 -7.996 1.00 64.22 H new ATOM 0 HD2 PHE A 77 -4.920 -15.111 -7.533 1.00 15.13 H new ATOM 0 HE1 PHE A 77 -5.872 -19.935 -7.595 1.00 32.50 H new ATOM 0 HE2 PHE A 77 -3.115 -16.723 -7.126 1.00 45.05 H new ATOM 0 HZ PHE A 77 -3.586 -19.138 -7.157 1.00 42.23 H new ATOM 1253 N GLU A 78 -8.656 -14.865 -4.809 1.00 33.01 N ATOM 1254 CA GLU A 78 -8.667 -13.833 -3.764 1.00 55.13 C ATOM 1255 C GLU A 78 -7.261 -13.249 -3.531 1.00 55.31 C ATOM 1256 O GLU A 78 -6.406 -13.883 -2.912 1.00 11.33 O ATOM 1257 CB GLU A 78 -9.225 -14.401 -2.447 1.00 74.34 C ATOM 1258 CG GLU A 78 -9.144 -13.420 -1.276 1.00 43.44 C ATOM 1259 CD GLU A 78 -9.751 -13.959 0.011 1.00 40.00 C ATOM 1260 OE1 GLU A 78 -9.562 -15.155 0.319 1.00 61.24 O ATOM 1261 OE2 GLU A 78 -10.401 -13.178 0.738 1.00 31.22 O ATOM 0 H GLU A 78 -8.554 -15.816 -4.456 1.00 33.01 H new ATOM 0 HA GLU A 78 -9.316 -13.027 -4.108 1.00 55.13 H new ATOM 0 HB2 GLU A 78 -10.265 -14.690 -2.597 1.00 74.34 H new ATOM 0 HB3 GLU A 78 -8.676 -15.307 -2.190 1.00 74.34 H new ATOM 0 HG2 GLU A 78 -8.099 -13.166 -1.097 1.00 43.44 H new ATOM 0 HG3 GLU A 78 -9.654 -12.497 -1.550 1.00 43.44 H new ATOM 1268 N LEU A 79 -7.027 -12.045 -4.037 1.00 70.02 N ATOM 1269 CA LEU A 79 -5.748 -11.355 -3.843 1.00 43.32 C ATOM 1270 C LEU A 79 -5.794 -10.489 -2.575 1.00 73.41 C ATOM 1271 O LEU A 79 -6.392 -9.412 -2.569 1.00 50.54 O ATOM 1272 CB LEU A 79 -5.426 -10.482 -5.067 1.00 13.12 C ATOM 1273 CG LEU A 79 -5.427 -11.217 -6.422 1.00 72.42 C ATOM 1274 CD1 LEU A 79 -5.155 -10.244 -7.566 1.00 21.22 C ATOM 1275 CD2 LEU A 79 -4.404 -12.351 -6.426 1.00 22.53 C ATOM 0 H LEU A 79 -7.706 -11.520 -4.588 1.00 70.02 H new ATOM 0 HA LEU A 79 -4.964 -12.103 -3.726 1.00 43.32 H new ATOM 0 HB2 LEU A 79 -6.151 -9.669 -5.113 1.00 13.12 H new ATOM 0 HB3 LEU A 79 -4.446 -10.027 -4.920 1.00 13.12 H new ATOM 0 HG LEU A 79 -6.416 -11.650 -6.570 1.00 72.42 H new ATOM 0 HD11 LEU A 79 -5.160 -10.785 -8.512 1.00 21.22 H new ATOM 0 HD12 LEU A 79 -5.929 -9.476 -7.582 1.00 21.22 H new ATOM 0 HD13 LEU A 79 -4.182 -9.775 -7.421 1.00 21.22 H new ATOM 0 HD21 LEU A 79 -4.423 -12.855 -7.392 1.00 22.53 H new ATOM 0 HD22 LEU A 79 -3.409 -11.944 -6.249 1.00 22.53 H new ATOM 0 HD23 LEU A 79 -4.649 -13.065 -5.640 1.00 22.53 H new ATOM 1287 N VAL A 80 -5.185 -10.969 -1.497 1.00 1.34 N ATOM 1288 CA VAL A 80 -5.203 -10.249 -0.216 1.00 34.21 C ATOM 1289 C VAL A 80 -3.876 -9.515 0.044 1.00 21.01 C ATOM 1290 O VAL A 80 -2.796 -10.107 -0.011 1.00 64.41 O ATOM 1291 CB VAL A 80 -5.525 -11.204 0.968 1.00 23.35 C ATOM 1292 CG1 VAL A 80 -4.530 -12.362 1.040 1.00 13.14 C ATOM 1293 CG2 VAL A 80 -5.569 -10.440 2.295 1.00 41.51 C ATOM 0 H VAL A 80 -4.672 -11.851 -1.478 1.00 1.34 H new ATOM 0 HA VAL A 80 -5.996 -9.504 -0.286 1.00 34.21 H new ATOM 0 HB VAL A 80 -6.513 -11.627 0.787 1.00 23.35 H new ATOM 0 HG11 VAL A 80 -4.785 -13.009 1.879 1.00 13.14 H new ATOM 0 HG12 VAL A 80 -4.571 -12.935 0.114 1.00 13.14 H new ATOM 0 HG13 VAL A 80 -3.523 -11.968 1.179 1.00 13.14 H new ATOM 0 HG21 VAL A 80 -5.796 -11.132 3.106 1.00 41.51 H new ATOM 0 HG22 VAL A 80 -4.602 -9.972 2.478 1.00 41.51 H new ATOM 0 HG23 VAL A 80 -6.341 -9.672 2.247 1.00 41.51 H new ATOM 1303 N TYR A 81 -3.966 -8.217 0.324 1.00 10.20 N ATOM 1304 CA TYR A 81 -2.782 -7.395 0.582 1.00 45.25 C ATOM 1305 C TYR A 81 -2.890 -6.690 1.944 1.00 15.12 C ATOM 1306 O TYR A 81 -3.948 -6.184 2.313 1.00 5.32 O ATOM 1307 CB TYR A 81 -2.609 -6.366 -0.546 1.00 32.21 C ATOM 1308 CG TYR A 81 -1.315 -5.569 -0.484 1.00 33.41 C ATOM 1309 CD1 TYR A 81 -0.118 -6.170 -0.103 1.00 60.40 C ATOM 1310 CD2 TYR A 81 -1.291 -4.215 -0.808 1.00 54.15 C ATOM 1311 CE1 TYR A 81 1.058 -5.449 -0.045 1.00 74.54 C ATOM 1312 CE2 TYR A 81 -0.115 -3.488 -0.752 1.00 14.41 C ATOM 1313 CZ TYR A 81 1.057 -4.110 -0.370 1.00 30.23 C ATOM 1314 OH TYR A 81 2.229 -3.392 -0.312 1.00 21.44 O ATOM 0 H TYR A 81 -4.849 -7.709 0.379 1.00 10.20 H new ATOM 0 HA TYR A 81 -1.906 -8.043 0.610 1.00 45.25 H new ATOM 0 HB2 TYR A 81 -2.655 -6.885 -1.503 1.00 32.21 H new ATOM 0 HB3 TYR A 81 -3.449 -5.672 -0.519 1.00 32.21 H new ATOM 0 HD1 TYR A 81 -0.109 -7.219 0.152 1.00 60.40 H new ATOM 0 HD2 TYR A 81 -2.205 -3.724 -1.108 1.00 54.15 H new ATOM 0 HE1 TYR A 81 1.976 -5.933 0.254 1.00 74.54 H new ATOM 0 HE2 TYR A 81 -0.114 -2.438 -1.006 1.00 14.41 H new ATOM 0 HH TYR A 81 2.352 -2.898 -1.150 1.00 21.44 H new ATOM 1324 N ARG A 82 -1.787 -6.667 2.687 1.00 54.42 N ATOM 1325 CA ARG A 82 -1.760 -6.071 4.029 1.00 75.42 C ATOM 1326 C ARG A 82 -0.598 -5.076 4.170 1.00 54.11 C ATOM 1327 O ARG A 82 0.562 -5.438 3.978 1.00 71.14 O ATOM 1328 CB ARG A 82 -1.611 -7.170 5.090 1.00 43.45 C ATOM 1329 CG ARG A 82 -2.717 -8.219 5.071 1.00 52.31 C ATOM 1330 CD ARG A 82 -2.430 -9.354 6.053 1.00 53.24 C ATOM 1331 NE ARG A 82 -3.465 -10.388 6.024 1.00 53.22 N ATOM 1332 CZ ARG A 82 -3.390 -11.483 5.317 1.00 60.30 C ATOM 1333 NH1 ARG A 82 -2.387 -11.686 4.521 1.00 15.31 N ATOM 1334 NH2 ARG A 82 -4.332 -12.368 5.398 1.00 24.23 N ATOM 0 H ARG A 82 -0.893 -7.055 2.385 1.00 54.42 H new ATOM 0 HA ARG A 82 -2.699 -5.538 4.176 1.00 75.42 H new ATOM 0 HB2 ARG A 82 -0.652 -7.668 4.947 1.00 43.45 H new ATOM 0 HB3 ARG A 82 -1.585 -6.705 6.076 1.00 43.45 H new ATOM 0 HG2 ARG A 82 -3.668 -7.751 5.323 1.00 52.31 H new ATOM 0 HG3 ARG A 82 -2.818 -8.624 4.064 1.00 52.31 H new ATOM 0 HD2 ARG A 82 -1.465 -9.802 5.815 1.00 53.24 H new ATOM 0 HD3 ARG A 82 -2.353 -8.948 7.062 1.00 53.24 H new ATOM 0 HE ARG A 82 -4.299 -10.244 6.593 1.00 53.22 H new ATOM 0 HH11 ARG A 82 -1.648 -10.987 4.443 1.00 15.31 H new ATOM 0 HH12 ARG A 82 -2.337 -12.545 3.973 1.00 15.31 H new ATOM 0 HH21 ARG A 82 -5.130 -12.209 6.013 1.00 24.23 H new ATOM 0 HH22 ARG A 82 -4.276 -13.224 4.847 1.00 24.23 H new ATOM 1348 N VAL A 83 -0.910 -3.828 4.505 1.00 63.32 N ATOM 1349 CA VAL A 83 0.126 -2.815 4.740 1.00 5.11 C ATOM 1350 C VAL A 83 0.190 -2.417 6.224 1.00 13.11 C ATOM 1351 O VAL A 83 -0.655 -1.668 6.714 1.00 44.42 O ATOM 1352 CB VAL A 83 -0.109 -1.548 3.880 1.00 40.05 C ATOM 1353 CG1 VAL A 83 1.023 -0.539 4.075 1.00 60.22 C ATOM 1354 CG2 VAL A 83 -0.268 -1.912 2.404 1.00 60.32 C ATOM 0 H VAL A 83 -1.865 -3.490 4.621 1.00 63.32 H new ATOM 0 HA VAL A 83 1.075 -3.265 4.449 1.00 5.11 H new ATOM 0 HB VAL A 83 -1.036 -1.082 4.213 1.00 40.05 H new ATOM 0 HG11 VAL A 83 0.835 0.342 3.461 1.00 60.22 H new ATOM 0 HG12 VAL A 83 1.073 -0.246 5.124 1.00 60.22 H new ATOM 0 HG13 VAL A 83 1.969 -0.992 3.780 1.00 60.22 H new ATOM 0 HG21 VAL A 83 -0.432 -1.006 1.821 1.00 60.32 H new ATOM 0 HG22 VAL A 83 0.635 -2.411 2.053 1.00 60.32 H new ATOM 0 HG23 VAL A 83 -1.121 -2.580 2.284 1.00 60.32 H new ATOM 1364 N ALA A 84 1.182 -2.943 6.939 1.00 3.21 N ATOM 1365 CA ALA A 84 1.388 -2.599 8.350 1.00 61.51 C ATOM 1366 C ALA A 84 2.352 -1.412 8.493 1.00 70.34 C ATOM 1367 O ALA A 84 3.501 -1.481 8.048 1.00 64.55 O ATOM 1368 CB ALA A 84 1.921 -3.810 9.112 1.00 51.42 C ATOM 0 H ALA A 84 1.858 -3.610 6.567 1.00 3.21 H new ATOM 0 HA ALA A 84 0.428 -2.306 8.775 1.00 61.51 H new ATOM 0 HB1 ALA A 84 2.071 -3.544 10.158 1.00 51.42 H new ATOM 0 HB2 ALA A 84 1.203 -4.627 9.044 1.00 51.42 H new ATOM 0 HB3 ALA A 84 2.870 -4.124 8.678 1.00 51.42 H new ATOM 1374 N ALA A 85 1.886 -0.327 9.117 1.00 3.13 N ATOM 1375 CA ALA A 85 2.702 0.885 9.280 1.00 41.52 C ATOM 1376 C ALA A 85 2.451 1.592 10.626 1.00 25.14 C ATOM 1377 O ALA A 85 1.475 1.311 11.324 1.00 41.11 O ATOM 1378 CB ALA A 85 2.442 1.847 8.121 1.00 24.15 C ATOM 0 H ALA A 85 0.950 -0.260 9.518 1.00 3.13 H new ATOM 0 HA ALA A 85 3.747 0.575 9.275 1.00 41.52 H new ATOM 0 HB1 ALA A 85 3.050 2.743 8.248 1.00 24.15 H new ATOM 0 HB2 ALA A 85 2.703 1.362 7.180 1.00 24.15 H new ATOM 0 HB3 ALA A 85 1.388 2.123 8.107 1.00 24.15 H new ATOM 1384 N ARG A 86 3.350 2.514 10.974 1.00 45.22 N ATOM 1385 CA ARG A 86 3.260 3.297 12.214 1.00 11.14 C ATOM 1386 C ARG A 86 3.551 4.781 11.943 1.00 62.14 C ATOM 1387 O ARG A 86 4.237 5.121 10.974 1.00 13.04 O ATOM 1388 CB ARG A 86 4.249 2.768 13.266 1.00 62.20 C ATOM 1389 CG ARG A 86 3.940 1.360 13.763 1.00 21.21 C ATOM 1390 CD ARG A 86 4.897 0.926 14.869 1.00 54.30 C ATOM 1391 NE ARG A 86 4.530 -0.374 15.428 1.00 23.43 N ATOM 1392 CZ ARG A 86 4.975 -0.846 16.561 1.00 23.41 C ATOM 1393 NH1 ARG A 86 5.830 -0.179 17.271 1.00 42.24 N ATOM 1394 NH2 ARG A 86 4.563 -1.997 16.982 1.00 75.32 N ATOM 0 H ARG A 86 4.165 2.742 10.404 1.00 45.22 H new ATOM 0 HA ARG A 86 2.244 3.196 12.596 1.00 11.14 H new ATOM 0 HB2 ARG A 86 5.253 2.779 12.842 1.00 62.20 H new ATOM 0 HB3 ARG A 86 4.255 3.449 14.117 1.00 62.20 H new ATOM 0 HG2 ARG A 86 2.916 1.322 14.133 1.00 21.21 H new ATOM 0 HG3 ARG A 86 4.004 0.659 12.931 1.00 21.21 H new ATOM 0 HD2 ARG A 86 5.911 0.878 14.473 1.00 54.30 H new ATOM 0 HD3 ARG A 86 4.899 1.674 15.661 1.00 54.30 H new ATOM 0 HE ARG A 86 3.881 -0.953 14.895 1.00 23.43 H new ATOM 0 HH11 ARG A 86 6.165 0.728 16.947 1.00 42.24 H new ATOM 0 HH12 ARG A 86 6.168 -0.561 18.154 1.00 42.24 H new ATOM 0 HH21 ARG A 86 3.893 -2.532 16.430 1.00 75.32 H new ATOM 0 HH22 ARG A 86 4.908 -2.370 17.867 1.00 75.32 H new ATOM 1408 N LEU A 87 3.055 5.659 12.814 1.00 14.33 N ATOM 1409 CA LEU A 87 3.232 7.107 12.640 1.00 23.43 C ATOM 1410 C LEU A 87 3.972 7.714 13.847 1.00 44.00 C ATOM 1411 O LEU A 87 3.385 7.922 14.916 1.00 41.02 O ATOM 1412 CB LEU A 87 1.860 7.775 12.437 1.00 51.52 C ATOM 1413 CG LEU A 87 1.866 9.156 11.749 1.00 25.22 C ATOM 1414 CD1 LEU A 87 0.457 9.516 11.290 1.00 71.30 C ATOM 1415 CD2 LEU A 87 2.423 10.246 12.669 1.00 11.33 C ATOM 0 H LEU A 87 2.528 5.397 13.647 1.00 14.33 H new ATOM 0 HA LEU A 87 3.842 7.288 11.755 1.00 23.43 H new ATOM 0 HB2 LEU A 87 1.236 7.102 11.848 1.00 51.52 H new ATOM 0 HB3 LEU A 87 1.384 7.881 13.412 1.00 51.52 H new ATOM 0 HG LEU A 87 2.523 9.095 10.881 1.00 25.22 H new ATOM 0 HD11 LEU A 87 0.470 10.492 10.805 1.00 71.30 H new ATOM 0 HD12 LEU A 87 0.101 8.765 10.584 1.00 71.30 H new ATOM 0 HD13 LEU A 87 -0.209 9.548 12.152 1.00 71.30 H new ATOM 0 HD21 LEU A 87 2.411 11.203 12.148 1.00 11.33 H new ATOM 0 HD22 LEU A 87 1.808 10.313 13.567 1.00 11.33 H new ATOM 0 HD23 LEU A 87 3.447 9.998 12.948 1.00 11.33 H new ATOM 1427 N LEU A 88 5.264 7.989 13.669 1.00 0.10 N ATOM 1428 CA LEU A 88 6.115 8.517 14.746 1.00 52.40 C ATOM 1429 C LEU A 88 6.584 9.948 14.431 1.00 2.30 C ATOM 1430 O LEU A 88 6.422 10.434 13.311 1.00 14.12 O ATOM 1431 CB LEU A 88 7.344 7.610 14.963 1.00 25.21 C ATOM 1432 CG LEU A 88 7.045 6.122 15.252 1.00 25.01 C ATOM 1433 CD1 LEU A 88 6.631 5.381 13.983 1.00 34.52 C ATOM 1434 CD2 LEU A 88 8.249 5.437 15.896 1.00 43.34 C ATOM 0 H LEU A 88 5.751 7.855 12.783 1.00 0.10 H new ATOM 0 HA LEU A 88 5.517 8.536 15.657 1.00 52.40 H new ATOM 0 HB2 LEU A 88 7.975 7.668 14.076 1.00 25.21 H new ATOM 0 HB3 LEU A 88 7.925 8.011 15.793 1.00 25.21 H new ATOM 0 HG LEU A 88 6.211 6.088 15.953 1.00 25.01 H new ATOM 0 HD11 LEU A 88 6.428 4.337 14.221 1.00 34.52 H new ATOM 0 HD12 LEU A 88 5.733 5.840 13.570 1.00 34.52 H new ATOM 0 HD13 LEU A 88 7.436 5.436 13.250 1.00 34.52 H new ATOM 0 HD21 LEU A 88 8.012 4.391 16.089 1.00 43.34 H new ATOM 0 HD22 LEU A 88 9.105 5.497 15.223 1.00 43.34 H new ATOM 0 HD23 LEU A 88 8.491 5.934 16.836 1.00 43.34 H new ATOM 1446 N ASP A 89 7.162 10.623 15.422 1.00 33.23 N ATOM 1447 CA ASP A 89 7.723 11.960 15.213 1.00 41.53 C ATOM 1448 C ASP A 89 9.195 11.859 14.759 1.00 52.20 C ATOM 1449 O ASP A 89 9.719 10.762 14.560 1.00 45.30 O ATOM 1450 CB ASP A 89 7.616 12.798 16.497 1.00 1.14 C ATOM 1451 CG ASP A 89 8.769 12.545 17.453 1.00 70.10 C ATOM 1452 OD1 ASP A 89 8.889 11.420 17.963 1.00 22.22 O ATOM 1453 OD2 ASP A 89 9.587 13.466 17.659 1.00 64.04 O ATOM 0 H ASP A 89 7.255 10.270 16.374 1.00 33.23 H new ATOM 0 HA ASP A 89 7.149 12.456 14.430 1.00 41.53 H new ATOM 0 HB2 ASP A 89 7.590 13.856 16.236 1.00 1.14 H new ATOM 0 HB3 ASP A 89 6.675 12.570 16.999 1.00 1.14 H new ATOM 1458 N ALA A 90 9.862 13.003 14.632 1.00 5.24 N ATOM 1459 CA ALA A 90 11.256 13.044 14.159 1.00 45.13 C ATOM 1460 C ALA A 90 12.242 12.337 15.114 1.00 64.32 C ATOM 1461 O ALA A 90 13.408 12.142 14.774 1.00 53.15 O ATOM 1462 CB ALA A 90 11.682 14.490 13.934 1.00 60.43 C ATOM 0 H ALA A 90 9.466 13.918 14.848 1.00 5.24 H new ATOM 0 HA ALA A 90 11.290 12.494 13.218 1.00 45.13 H new ATOM 0 HB1 ALA A 90 12.714 14.515 13.584 1.00 60.43 H new ATOM 0 HB2 ALA A 90 11.034 14.948 13.187 1.00 60.43 H new ATOM 0 HB3 ALA A 90 11.603 15.043 14.870 1.00 60.43 H new ATOM 1468 N HIS A 91 11.777 11.955 16.305 1.00 12.03 N ATOM 1469 CA HIS A 91 12.640 11.305 17.305 1.00 2.53 C ATOM 1470 C HIS A 91 12.154 9.888 17.665 1.00 64.42 C ATOM 1471 O HIS A 91 12.424 9.389 18.759 1.00 24.33 O ATOM 1472 CB HIS A 91 12.727 12.178 18.563 1.00 1.22 C ATOM 1473 CG HIS A 91 13.258 13.551 18.287 1.00 32.24 C ATOM 1474 ND1 HIS A 91 14.600 13.848 18.263 1.00 4.32 N ATOM 1475 CD2 HIS A 91 12.618 14.710 18.001 1.00 31.12 C ATOM 1476 CE1 HIS A 91 14.764 15.122 17.976 1.00 63.30 C ATOM 1477 NE2 HIS A 91 13.577 15.672 17.812 1.00 54.30 N ATOM 0 H HIS A 91 10.810 12.082 16.604 1.00 12.03 H new ATOM 0 HA HIS A 91 13.632 11.198 16.865 1.00 2.53 H new ATOM 0 HB2 HIS A 91 11.736 12.261 19.010 1.00 1.22 H new ATOM 0 HB3 HIS A 91 13.368 11.687 19.296 1.00 1.22 H new ATOM 0 HD2 HIS A 91 11.549 14.851 17.934 1.00 31.12 H new ATOM 0 HE1 HIS A 91 15.712 15.632 17.889 1.00 63.30 H new ATOM 0 HE2 HIS A 91 13.401 16.650 17.583 1.00 54.30 H new ATOM 1486 N ASN A 92 11.446 9.245 16.733 1.00 42.13 N ATOM 1487 CA ASN A 92 11.038 7.834 16.871 1.00 65.11 C ATOM 1488 C ASN A 92 10.060 7.596 18.042 1.00 12.43 C ATOM 1489 O ASN A 92 10.007 6.499 18.607 1.00 71.14 O ATOM 1490 CB ASN A 92 12.275 6.927 17.021 1.00 54.24 C ATOM 1491 CG ASN A 92 13.151 6.934 15.779 1.00 5.31 C ATOM 1492 OD1 ASN A 92 12.966 6.135 14.866 1.00 14.20 O ATOM 1493 ND2 ASN A 92 14.115 7.829 15.735 1.00 50.52 N ATOM 0 H ASN A 92 11.138 9.680 15.863 1.00 42.13 H new ATOM 0 HA ASN A 92 10.503 7.577 15.957 1.00 65.11 H new ATOM 0 HB2 ASN A 92 12.862 7.256 17.878 1.00 54.24 H new ATOM 0 HB3 ASN A 92 11.952 5.907 17.229 1.00 54.24 H new ATOM 0 HD21 ASN A 92 14.734 7.872 14.926 1.00 50.52 H new ATOM 0 HD22 ASN A 92 14.243 8.479 16.510 1.00 50.52 H new ATOM 1500 N ALA A 93 9.281 8.610 18.399 1.00 54.40 N ATOM 1501 CA ALA A 93 8.201 8.441 19.378 1.00 41.12 C ATOM 1502 C ALA A 93 6.841 8.411 18.666 1.00 1.24 C ATOM 1503 O ALA A 93 6.546 9.281 17.844 1.00 55.22 O ATOM 1504 CB ALA A 93 8.244 9.554 20.422 1.00 61.53 C ATOM 0 H ALA A 93 9.372 9.557 18.030 1.00 54.40 H new ATOM 0 HA ALA A 93 8.341 7.491 19.893 1.00 41.12 H new ATOM 0 HB1 ALA A 93 7.436 9.412 21.139 1.00 61.53 H new ATOM 0 HB2 ALA A 93 9.201 9.527 20.944 1.00 61.53 H new ATOM 0 HB3 ALA A 93 8.126 10.519 19.930 1.00 61.53 H new ATOM 1510 N GLU A 94 6.021 7.401 18.968 1.00 51.21 N ATOM 1511 CA GLU A 94 4.719 7.238 18.304 1.00 24.32 C ATOM 1512 C GLU A 94 3.813 8.467 18.508 1.00 71.41 C ATOM 1513 O GLU A 94 3.307 8.721 19.603 1.00 54.04 O ATOM 1514 CB GLU A 94 4.020 5.955 18.786 1.00 52.01 C ATOM 1515 CG GLU A 94 3.913 5.833 20.301 1.00 43.43 C ATOM 1516 CD GLU A 94 3.229 4.546 20.736 1.00 1.23 C ATOM 1517 OE1 GLU A 94 3.680 3.459 20.317 1.00 61.21 O ATOM 1518 OE2 GLU A 94 2.253 4.612 21.514 1.00 73.42 O ATOM 0 H GLU A 94 6.231 6.686 19.664 1.00 51.21 H new ATOM 0 HA GLU A 94 4.906 7.149 17.234 1.00 24.32 H new ATOM 0 HB2 GLU A 94 3.018 5.918 18.358 1.00 52.01 H new ATOM 0 HB3 GLU A 94 4.563 5.092 18.401 1.00 52.01 H new ATOM 0 HG2 GLU A 94 4.911 5.875 20.737 1.00 43.43 H new ATOM 0 HG3 GLU A 94 3.358 6.686 20.692 1.00 43.43 H new ATOM 1525 N LEU A 95 3.627 9.228 17.433 1.00 32.34 N ATOM 1526 CA LEU A 95 2.801 10.440 17.460 1.00 62.02 C ATOM 1527 C LEU A 95 1.317 10.070 17.321 1.00 33.14 C ATOM 1528 O LEU A 95 0.461 10.573 18.052 1.00 13.32 O ATOM 1529 CB LEU A 95 3.251 11.389 16.322 1.00 74.20 C ATOM 1530 CG LEU A 95 2.774 12.860 16.407 1.00 52.03 C ATOM 1531 CD1 LEU A 95 1.280 12.997 16.109 1.00 62.30 C ATOM 1532 CD2 LEU A 95 3.110 13.455 17.776 1.00 5.23 C ATOM 0 H LEU A 95 4.040 9.027 16.522 1.00 32.34 H new ATOM 0 HA LEU A 95 2.928 10.953 18.413 1.00 62.02 H new ATOM 0 HB2 LEU A 95 4.341 11.387 16.289 1.00 74.20 H new ATOM 0 HB3 LEU A 95 2.903 10.974 15.376 1.00 74.20 H new ATOM 0 HG LEU A 95 3.308 13.421 15.640 1.00 52.03 H new ATOM 0 HD11 LEU A 95 0.989 14.045 16.180 1.00 62.30 H new ATOM 0 HD12 LEU A 95 1.075 12.631 15.103 1.00 62.30 H new ATOM 0 HD13 LEU A 95 0.710 12.413 16.831 1.00 62.30 H new ATOM 0 HD21 LEU A 95 2.767 14.489 17.817 1.00 5.23 H new ATOM 0 HD22 LEU A 95 2.614 12.877 18.556 1.00 5.23 H new ATOM 0 HD23 LEU A 95 4.188 13.424 17.932 1.00 5.23 H new ATOM 1544 N ALA A 96 1.024 9.178 16.381 1.00 11.51 N ATOM 1545 CA ALA A 96 -0.346 8.724 16.138 1.00 51.13 C ATOM 1546 C ALA A 96 -0.397 7.205 15.932 1.00 52.03 C ATOM 1547 O ALA A 96 0.334 6.655 15.106 1.00 3.20 O ATOM 1548 CB ALA A 96 -0.932 9.446 14.929 1.00 0.31 C ATOM 0 H ALA A 96 1.720 8.751 15.770 1.00 11.51 H new ATOM 0 HA ALA A 96 -0.945 8.963 17.017 1.00 51.13 H new ATOM 0 HB1 ALA A 96 -1.951 9.100 14.758 1.00 0.31 H new ATOM 0 HB2 ALA A 96 -0.939 10.520 15.115 1.00 0.31 H new ATOM 0 HB3 ALA A 96 -0.324 9.234 14.049 1.00 0.31 H new ATOM 1554 N SER A 97 -1.259 6.527 16.690 1.00 72.13 N ATOM 1555 CA SER A 97 -1.411 5.070 16.569 1.00 51.12 C ATOM 1556 C SER A 97 -1.984 4.673 15.202 1.00 14.30 C ATOM 1557 O SER A 97 -3.197 4.527 15.037 1.00 63.24 O ATOM 1558 CB SER A 97 -2.303 4.516 17.693 1.00 63.30 C ATOM 1559 OG SER A 97 -1.702 4.695 18.970 1.00 71.31 O ATOM 0 H SER A 97 -1.861 6.957 17.392 1.00 72.13 H new ATOM 0 HA SER A 97 -0.416 4.634 16.660 1.00 51.12 H new ATOM 0 HB2 SER A 97 -3.271 5.017 17.672 1.00 63.30 H new ATOM 0 HB3 SER A 97 -2.489 3.456 17.522 1.00 63.30 H new ATOM 0 HG SER A 97 -2.293 4.335 19.663 1.00 71.31 H new ATOM 1565 N LEU A 98 -1.101 4.518 14.223 1.00 51.04 N ATOM 1566 CA LEU A 98 -1.493 4.107 12.870 1.00 14.11 C ATOM 1567 C LEU A 98 -1.863 2.610 12.855 1.00 3.41 C ATOM 1568 O LEU A 98 -1.484 1.862 13.762 1.00 32.53 O ATOM 1569 CB LEU A 98 -0.348 4.421 11.889 1.00 61.24 C ATOM 1570 CG LEU A 98 -0.669 4.274 10.388 1.00 24.22 C ATOM 1571 CD1 LEU A 98 -1.936 5.039 10.019 1.00 1.24 C ATOM 1572 CD2 LEU A 98 0.506 4.763 9.542 1.00 64.15 C ATOM 0 H LEU A 98 -0.099 4.671 14.337 1.00 51.04 H new ATOM 0 HA LEU A 98 -2.375 4.664 12.555 1.00 14.11 H new ATOM 0 HB2 LEU A 98 -0.016 5.444 12.068 1.00 61.24 H new ATOM 0 HB3 LEU A 98 0.492 3.767 12.124 1.00 61.24 H new ATOM 0 HG LEU A 98 -0.838 3.217 10.183 1.00 24.22 H new ATOM 0 HD11 LEU A 98 -2.138 4.917 8.955 1.00 1.24 H new ATOM 0 HD12 LEU A 98 -2.776 4.650 10.594 1.00 1.24 H new ATOM 0 HD13 LEU A 98 -1.801 6.097 10.244 1.00 1.24 H new ATOM 0 HD21 LEU A 98 0.264 4.653 8.485 1.00 64.15 H new ATOM 0 HD22 LEU A 98 0.701 5.813 9.762 1.00 64.15 H new ATOM 0 HD23 LEU A 98 1.392 4.173 9.775 1.00 64.15 H new ATOM 1584 N GLN A 99 -2.616 2.169 11.849 1.00 52.35 N ATOM 1585 CA GLN A 99 -3.117 0.786 11.821 1.00 30.03 C ATOM 1586 C GLN A 99 -2.784 0.057 10.510 1.00 12.11 C ATOM 1587 O GLN A 99 -2.228 0.637 9.577 1.00 4.24 O ATOM 1588 CB GLN A 99 -4.635 0.774 12.054 1.00 32.10 C ATOM 1589 CG GLN A 99 -5.431 1.532 10.996 1.00 11.42 C ATOM 1590 CD GLN A 99 -6.927 1.493 11.253 1.00 11.24 C ATOM 1591 OE1 GLN A 99 -7.474 2.350 11.939 1.00 12.52 O ATOM 1592 NE2 GLN A 99 -7.599 0.501 10.703 1.00 1.11 N ATOM 0 H GLN A 99 -2.893 2.738 11.049 1.00 52.35 H new ATOM 0 HA GLN A 99 -2.611 0.248 12.623 1.00 30.03 H new ATOM 0 HB2 GLN A 99 -4.980 -0.260 12.082 1.00 32.10 H new ATOM 0 HB3 GLN A 99 -4.846 1.207 13.032 1.00 32.10 H new ATOM 0 HG2 GLN A 99 -5.097 2.569 10.969 1.00 11.42 H new ATOM 0 HG3 GLN A 99 -5.223 1.105 10.015 1.00 11.42 H new ATOM 0 HE21 GLN A 99 -7.111 -0.194 10.138 1.00 1.11 H new ATOM 0 HE22 GLN A 99 -8.607 0.429 10.842 1.00 1.11 H new ATOM 1601 N GLU A 100 -3.138 -1.228 10.461 1.00 4.35 N ATOM 1602 CA GLU A 100 -2.889 -2.073 9.288 1.00 43.20 C ATOM 1603 C GLU A 100 -3.931 -1.831 8.181 1.00 63.33 C ATOM 1604 O GLU A 100 -5.120 -1.630 8.458 1.00 22.21 O ATOM 1605 CB GLU A 100 -2.902 -3.553 9.712 1.00 44.21 C ATOM 1606 CG GLU A 100 -4.234 -4.013 10.308 1.00 43.11 C ATOM 1607 CD GLU A 100 -4.176 -5.422 10.882 1.00 12.02 C ATOM 1608 OE1 GLU A 100 -4.385 -6.395 10.123 1.00 22.10 O ATOM 1609 OE2 GLU A 100 -3.929 -5.562 12.100 1.00 21.34 O ATOM 0 H GLU A 100 -3.603 -1.712 11.229 1.00 4.35 H new ATOM 0 HA GLU A 100 -1.912 -1.812 8.881 1.00 43.20 H new ATOM 0 HB2 GLU A 100 -2.670 -4.172 8.845 1.00 44.21 H new ATOM 0 HB3 GLU A 100 -2.111 -3.719 10.443 1.00 44.21 H new ATOM 0 HG2 GLU A 100 -4.533 -3.319 11.094 1.00 43.11 H new ATOM 0 HG3 GLU A 100 -5.004 -3.972 9.537 1.00 43.11 H new ATOM 1616 N ILE A 101 -3.481 -1.843 6.931 1.00 71.33 N ATOM 1617 CA ILE A 101 -4.372 -1.702 5.777 1.00 24.31 C ATOM 1618 C ILE A 101 -4.701 -3.075 5.171 1.00 51.11 C ATOM 1619 O ILE A 101 -3.848 -3.711 4.550 1.00 42.35 O ATOM 1620 CB ILE A 101 -3.741 -0.799 4.687 1.00 71.02 C ATOM 1621 CG1 ILE A 101 -3.419 0.591 5.264 1.00 23.23 C ATOM 1622 CG2 ILE A 101 -4.662 -0.686 3.468 1.00 2.22 C ATOM 1623 CD1 ILE A 101 -2.767 1.533 4.274 1.00 54.24 C ATOM 0 H ILE A 101 -2.497 -1.950 6.686 1.00 71.33 H new ATOM 0 HA ILE A 101 -5.291 -1.235 6.132 1.00 24.31 H new ATOM 0 HB ILE A 101 -2.809 -1.259 4.358 1.00 71.02 H new ATOM 0 HG12 ILE A 101 -4.341 1.044 5.628 1.00 23.23 H new ATOM 0 HG13 ILE A 101 -2.761 0.472 6.125 1.00 23.23 H new ATOM 0 HG21 ILE A 101 -4.196 -0.047 2.718 1.00 2.22 H new ATOM 0 HG22 ILE A 101 -4.831 -1.677 3.046 1.00 2.22 H new ATOM 0 HG23 ILE A 101 -5.615 -0.254 3.771 1.00 2.22 H new ATOM 0 HD11 ILE A 101 -2.572 2.491 4.757 1.00 54.24 H new ATOM 0 HD12 ILE A 101 -1.827 1.103 3.928 1.00 54.24 H new ATOM 0 HD13 ILE A 101 -3.432 1.684 3.424 1.00 54.24 H new ATOM 1635 N ARG A 102 -5.935 -3.531 5.373 1.00 34.34 N ATOM 1636 CA ARG A 102 -6.387 -4.826 4.852 1.00 60.11 C ATOM 1637 C ARG A 102 -7.092 -4.658 3.495 1.00 41.44 C ATOM 1638 O ARG A 102 -8.086 -3.941 3.386 1.00 34.41 O ATOM 1639 CB ARG A 102 -7.333 -5.489 5.866 1.00 74.23 C ATOM 1640 CG ARG A 102 -7.833 -6.868 5.452 1.00 75.12 C ATOM 1641 CD ARG A 102 -8.761 -7.470 6.504 1.00 14.12 C ATOM 1642 NE ARG A 102 -9.942 -6.640 6.742 1.00 71.23 N ATOM 1643 CZ ARG A 102 -11.147 -7.114 6.907 1.00 2.34 C ATOM 1644 NH1 ARG A 102 -11.357 -8.392 6.881 1.00 14.23 N ATOM 1645 NH2 ARG A 102 -12.139 -6.309 7.112 1.00 13.03 N ATOM 0 H ARG A 102 -6.647 -3.022 5.897 1.00 34.34 H new ATOM 0 HA ARG A 102 -5.516 -5.464 4.701 1.00 60.11 H new ATOM 0 HB2 ARG A 102 -6.818 -5.575 6.823 1.00 74.23 H new ATOM 0 HB3 ARG A 102 -8.192 -4.837 6.024 1.00 74.23 H new ATOM 0 HG2 ARG A 102 -8.360 -6.794 4.501 1.00 75.12 H new ATOM 0 HG3 ARG A 102 -6.983 -7.531 5.294 1.00 75.12 H new ATOM 0 HD2 ARG A 102 -9.076 -8.463 6.182 1.00 14.12 H new ATOM 0 HD3 ARG A 102 -8.214 -7.596 7.438 1.00 14.12 H new ATOM 0 HE ARG A 102 -9.816 -5.629 6.781 1.00 71.23 H new ATOM 0 HH11 ARG A 102 -10.579 -9.034 6.731 1.00 14.23 H new ATOM 0 HH12 ARG A 102 -12.301 -8.756 7.011 1.00 14.23 H new ATOM 0 HH21 ARG A 102 -11.980 -5.302 7.145 1.00 13.03 H new ATOM 0 HH22 ARG A 102 -13.080 -6.681 7.241 1.00 13.03 H new ATOM 1659 N LEU A 103 -6.566 -5.320 2.466 1.00 14.13 N ATOM 1660 CA LEU A 103 -7.108 -5.220 1.100 1.00 3.21 C ATOM 1661 C LEU A 103 -7.453 -6.601 0.517 1.00 75.43 C ATOM 1662 O LEU A 103 -6.759 -7.585 0.769 1.00 21.14 O ATOM 1663 CB LEU A 103 -6.090 -4.522 0.185 1.00 55.12 C ATOM 1664 CG LEU A 103 -5.818 -3.043 0.496 1.00 13.14 C ATOM 1665 CD1 LEU A 103 -4.672 -2.520 -0.365 1.00 51.00 C ATOM 1666 CD2 LEU A 103 -7.081 -2.210 0.278 1.00 1.34 C ATOM 0 H LEU A 103 -5.758 -5.938 2.548 1.00 14.13 H new ATOM 0 HA LEU A 103 -8.027 -4.637 1.154 1.00 3.21 H new ATOM 0 HB2 LEU A 103 -5.147 -5.065 0.241 1.00 55.12 H new ATOM 0 HB3 LEU A 103 -6.442 -4.599 -0.844 1.00 55.12 H new ATOM 0 HG LEU A 103 -5.528 -2.956 1.543 1.00 13.14 H new ATOM 0 HD11 LEU A 103 -4.492 -1.470 -0.132 1.00 51.00 H new ATOM 0 HD12 LEU A 103 -3.770 -3.097 -0.160 1.00 51.00 H new ATOM 0 HD13 LEU A 103 -4.934 -2.618 -1.418 1.00 51.00 H new ATOM 0 HD21 LEU A 103 -6.871 -1.164 0.503 1.00 1.34 H new ATOM 0 HD22 LEU A 103 -7.402 -2.300 -0.760 1.00 1.34 H new ATOM 0 HD23 LEU A 103 -7.872 -2.570 0.935 1.00 1.34 H new ATOM 1678 N THR A 104 -8.530 -6.658 -0.269 1.00 1.22 N ATOM 1679 CA THR A 104 -8.935 -7.886 -0.977 1.00 21.05 C ATOM 1680 C THR A 104 -9.411 -7.570 -2.406 1.00 11.44 C ATOM 1681 O THR A 104 -10.351 -6.801 -2.605 1.00 54.21 O ATOM 1682 CB THR A 104 -10.066 -8.648 -0.228 1.00 53.43 C ATOM 1683 OG1 THR A 104 -11.138 -7.748 0.118 1.00 73.21 O ATOM 1684 CG2 THR A 104 -9.539 -9.330 1.032 1.00 3.15 C ATOM 0 H THR A 104 -9.146 -5.862 -0.436 1.00 1.22 H new ATOM 0 HA THR A 104 -8.051 -8.523 -1.015 1.00 21.05 H new ATOM 0 HB THR A 104 -10.445 -9.417 -0.901 1.00 53.43 H new ATOM 0 HG1 THR A 104 -11.294 -7.125 -0.622 1.00 73.21 H new ATOM 0 HG21 THR A 104 -10.355 -9.853 1.531 1.00 3.15 H new ATOM 0 HG22 THR A 104 -8.762 -10.045 0.761 1.00 3.15 H new ATOM 0 HG23 THR A 104 -9.123 -8.580 1.705 1.00 3.15 H new ATOM 1692 N ARG A 105 -8.755 -8.172 -3.398 1.00 32.42 N ATOM 1693 CA ARG A 105 -9.065 -7.922 -4.815 1.00 63.53 C ATOM 1694 C ARG A 105 -9.360 -9.248 -5.538 1.00 12.24 C ATOM 1695 O ARG A 105 -8.632 -10.222 -5.370 1.00 21.12 O ATOM 1696 CB ARG A 105 -7.876 -7.197 -5.475 1.00 53.45 C ATOM 1697 CG ARG A 105 -8.257 -6.262 -6.621 1.00 13.44 C ATOM 1698 CD ARG A 105 -9.171 -5.136 -6.143 1.00 12.43 C ATOM 1699 NE ARG A 105 -9.299 -4.066 -7.131 1.00 11.03 N ATOM 1700 CZ ARG A 105 -10.399 -3.782 -7.775 1.00 13.24 C ATOM 1701 NH1 ARG A 105 -11.460 -4.504 -7.632 1.00 4.31 N ATOM 1702 NH2 ARG A 105 -10.432 -2.775 -8.579 1.00 15.41 N ATOM 0 H ARG A 105 -8.000 -8.841 -3.250 1.00 32.42 H new ATOM 0 HA ARG A 105 -9.952 -7.292 -4.887 1.00 63.53 H new ATOM 0 HB2 ARG A 105 -7.351 -6.621 -4.713 1.00 53.45 H new ATOM 0 HB3 ARG A 105 -7.175 -7.943 -5.850 1.00 53.45 H new ATOM 0 HG2 ARG A 105 -7.355 -5.838 -7.061 1.00 13.44 H new ATOM 0 HG3 ARG A 105 -8.757 -6.830 -7.405 1.00 13.44 H new ATOM 0 HD2 ARG A 105 -10.158 -5.542 -5.921 1.00 12.43 H new ATOM 0 HD3 ARG A 105 -8.779 -4.724 -5.213 1.00 12.43 H new ATOM 0 HE ARG A 105 -8.472 -3.503 -7.331 1.00 11.03 H new ATOM 0 HH11 ARG A 105 -11.448 -5.311 -7.008 1.00 4.31 H new ATOM 0 HH12 ARG A 105 -12.311 -4.267 -8.143 1.00 4.31 H new ATOM 0 HH21 ARG A 105 -9.599 -2.201 -8.712 1.00 15.41 H new ATOM 0 HH22 ARG A 105 -11.291 -2.552 -9.083 1.00 15.41 H new ATOM 1716 N ILE A 106 -10.426 -9.291 -6.335 1.00 21.32 N ATOM 1717 CA ILE A 106 -10.855 -10.546 -6.975 1.00 11.14 C ATOM 1718 C ILE A 106 -10.369 -10.664 -8.433 1.00 2.34 C ATOM 1719 O ILE A 106 -10.744 -9.870 -9.298 1.00 71.02 O ATOM 1720 CB ILE A 106 -12.398 -10.703 -6.928 1.00 31.13 C ATOM 1721 CG1 ILE A 106 -12.899 -10.635 -5.472 1.00 71.32 C ATOM 1722 CG2 ILE A 106 -12.833 -12.014 -7.591 1.00 12.45 C ATOM 1723 CD1 ILE A 106 -12.294 -11.686 -4.561 1.00 31.30 C ATOM 0 H ILE A 106 -11.008 -8.483 -6.555 1.00 21.32 H new ATOM 0 HA ILE A 106 -10.393 -11.350 -6.402 1.00 11.14 H new ATOM 0 HB ILE A 106 -12.845 -9.880 -7.486 1.00 31.13 H new ATOM 0 HG12 ILE A 106 -12.677 -9.647 -5.068 1.00 71.32 H new ATOM 0 HG13 ILE A 106 -13.983 -10.745 -5.466 1.00 71.32 H new ATOM 0 HG21 ILE A 106 -13.919 -12.102 -7.546 1.00 12.45 H new ATOM 0 HG22 ILE A 106 -12.512 -12.019 -8.632 1.00 12.45 H new ATOM 0 HG23 ILE A 106 -12.379 -12.855 -7.067 1.00 12.45 H new ATOM 0 HD11 ILE A 106 -12.697 -11.571 -3.555 1.00 31.30 H new ATOM 0 HD12 ILE A 106 -12.538 -12.679 -4.939 1.00 31.30 H new ATOM 0 HD13 ILE A 106 -11.211 -11.564 -4.534 1.00 31.30 H new ATOM 1735 N LEU A 107 -9.528 -11.668 -8.686 1.00 40.04 N ATOM 1736 CA LEU A 107 -9.021 -11.960 -10.034 1.00 35.41 C ATOM 1737 C LEU A 107 -9.841 -13.097 -10.679 1.00 64.01 C ATOM 1738 O LEU A 107 -9.791 -14.239 -10.222 1.00 51.21 O ATOM 1739 CB LEU A 107 -7.523 -12.339 -9.945 1.00 64.21 C ATOM 1740 CG LEU A 107 -6.742 -12.472 -11.276 1.00 11.12 C ATOM 1741 CD1 LEU A 107 -7.104 -13.752 -12.029 1.00 22.22 C ATOM 1742 CD2 LEU A 107 -6.969 -11.247 -12.157 1.00 34.14 C ATOM 0 H LEU A 107 -9.178 -12.302 -7.967 1.00 40.04 H new ATOM 0 HA LEU A 107 -9.124 -11.076 -10.663 1.00 35.41 H new ATOM 0 HB2 LEU A 107 -7.021 -11.589 -9.333 1.00 64.21 H new ATOM 0 HB3 LEU A 107 -7.446 -13.287 -9.413 1.00 64.21 H new ATOM 0 HG LEU A 107 -5.683 -12.533 -11.025 1.00 11.12 H new ATOM 0 HD11 LEU A 107 -6.532 -13.803 -12.956 1.00 22.22 H new ATOM 0 HD12 LEU A 107 -6.869 -14.617 -11.410 1.00 22.22 H new ATOM 0 HD13 LEU A 107 -8.169 -13.750 -12.259 1.00 22.22 H new ATOM 0 HD21 LEU A 107 -6.412 -11.360 -13.087 1.00 34.14 H new ATOM 0 HD22 LEU A 107 -8.032 -11.151 -12.380 1.00 34.14 H new ATOM 0 HD23 LEU A 107 -6.626 -10.354 -11.634 1.00 34.14 H new ATOM 1754 N PRO A 108 -10.617 -12.799 -11.740 1.00 64.34 N ATOM 1755 CA PRO A 108 -11.432 -13.812 -12.433 1.00 40.35 C ATOM 1756 C PRO A 108 -10.621 -14.687 -13.414 1.00 35.20 C ATOM 1757 O PRO A 108 -10.021 -14.188 -14.370 1.00 61.31 O ATOM 1758 CB PRO A 108 -12.461 -12.959 -13.182 1.00 11.32 C ATOM 1759 CG PRO A 108 -11.743 -11.681 -13.480 1.00 62.02 C ATOM 1760 CD PRO A 108 -10.783 -11.455 -12.336 1.00 31.25 C ATOM 0 HA PRO A 108 -11.864 -14.532 -11.738 1.00 40.35 H new ATOM 0 HB2 PRO A 108 -12.793 -13.450 -14.097 1.00 11.32 H new ATOM 0 HB3 PRO A 108 -13.349 -12.783 -12.574 1.00 11.32 H new ATOM 0 HG2 PRO A 108 -11.209 -11.747 -14.428 1.00 62.02 H new ATOM 0 HG3 PRO A 108 -12.445 -10.852 -13.567 1.00 62.02 H new ATOM 0 HD2 PRO A 108 -9.832 -11.053 -12.686 1.00 31.25 H new ATOM 0 HD3 PRO A 108 -11.183 -10.744 -11.613 1.00 31.25 H new ATOM 1768 N PHE A 109 -10.604 -15.994 -13.167 1.00 61.51 N ATOM 1769 CA PHE A 109 -9.917 -16.947 -14.048 1.00 54.24 C ATOM 1770 C PHE A 109 -10.877 -17.510 -15.110 1.00 22.00 C ATOM 1771 O PHE A 109 -11.911 -18.095 -14.780 1.00 23.40 O ATOM 1772 CB PHE A 109 -9.311 -18.092 -13.217 1.00 64.25 C ATOM 1773 CG PHE A 109 -8.656 -19.179 -14.041 1.00 30.14 C ATOM 1774 CD1 PHE A 109 -7.374 -19.017 -14.544 1.00 22.44 C ATOM 1775 CD2 PHE A 109 -9.329 -20.362 -14.316 1.00 14.20 C ATOM 1776 CE1 PHE A 109 -6.778 -20.008 -15.301 1.00 43.12 C ATOM 1777 CE2 PHE A 109 -8.738 -21.356 -15.073 1.00 15.44 C ATOM 1778 CZ PHE A 109 -7.462 -21.178 -15.567 1.00 32.50 C ATOM 0 H PHE A 109 -11.059 -16.423 -12.361 1.00 61.51 H new ATOM 0 HA PHE A 109 -9.116 -16.418 -14.564 1.00 54.24 H new ATOM 0 HB2 PHE A 109 -8.572 -17.677 -12.532 1.00 64.25 H new ATOM 0 HB3 PHE A 109 -10.097 -18.538 -12.607 1.00 64.25 H new ATOM 0 HD1 PHE A 109 -6.834 -18.104 -14.341 1.00 22.44 H new ATOM 0 HD2 PHE A 109 -10.328 -20.507 -13.933 1.00 14.20 H new ATOM 0 HE1 PHE A 109 -5.778 -19.868 -15.684 1.00 43.12 H new ATOM 0 HE2 PHE A 109 -9.274 -22.271 -15.278 1.00 15.44 H new ATOM 0 HZ PHE A 109 -6.999 -21.952 -16.161 1.00 32.50 H new ATOM 1788 N LEU A 110 -10.537 -17.324 -16.387 1.00 74.02 N ATOM 1789 CA LEU A 110 -11.336 -17.879 -17.486 1.00 71.33 C ATOM 1790 C LEU A 110 -10.435 -18.277 -18.669 1.00 73.24 C ATOM 1791 O LEU A 110 -9.557 -17.516 -19.081 1.00 32.14 O ATOM 1792 CB LEU A 110 -12.409 -16.871 -17.929 1.00 12.43 C ATOM 1793 CG LEU A 110 -13.514 -17.440 -18.840 1.00 22.31 C ATOM 1794 CD1 LEU A 110 -14.212 -18.624 -18.170 1.00 20.10 C ATOM 1795 CD2 LEU A 110 -14.529 -16.356 -19.199 1.00 63.22 C ATOM 0 H LEU A 110 -9.718 -16.796 -16.687 1.00 74.02 H new ATOM 0 HA LEU A 110 -11.837 -18.779 -17.129 1.00 71.33 H new ATOM 0 HB2 LEU A 110 -12.877 -16.449 -17.039 1.00 12.43 H new ATOM 0 HB3 LEU A 110 -11.918 -16.050 -18.451 1.00 12.43 H new ATOM 0 HG LEU A 110 -13.047 -17.792 -19.760 1.00 22.31 H new ATOM 0 HD11 LEU A 110 -14.988 -19.010 -18.831 1.00 20.10 H new ATOM 0 HD12 LEU A 110 -13.483 -19.409 -17.968 1.00 20.10 H new ATOM 0 HD13 LEU A 110 -14.663 -18.298 -17.233 1.00 20.10 H new ATOM 0 HD21 LEU A 110 -15.300 -16.779 -19.843 1.00 63.22 H new ATOM 0 HD22 LEU A 110 -14.987 -15.971 -18.288 1.00 63.22 H new ATOM 0 HD23 LEU A 110 -14.024 -15.544 -19.723 1.00 63.22 H new ATOM 1807 N ASP A 111 -10.675 -19.469 -19.213 1.00 64.15 N ATOM 1808 CA ASP A 111 -9.805 -20.076 -20.231 1.00 40.03 C ATOM 1809 C ASP A 111 -9.684 -19.230 -21.517 1.00 41.53 C ATOM 1810 O ASP A 111 -8.580 -18.846 -21.918 1.00 3.23 O ATOM 1811 CB ASP A 111 -10.333 -21.476 -20.565 1.00 52.11 C ATOM 1812 CG ASP A 111 -9.504 -22.180 -21.624 1.00 11.43 C ATOM 1813 OD1 ASP A 111 -8.411 -22.679 -21.292 1.00 60.32 O ATOM 1814 OD2 ASP A 111 -9.950 -22.250 -22.787 1.00 50.24 O ATOM 0 H ASP A 111 -11.478 -20.046 -18.963 1.00 64.15 H new ATOM 0 HA ASP A 111 -8.801 -20.132 -19.811 1.00 40.03 H new ATOM 0 HB2 ASP A 111 -10.345 -22.081 -19.658 1.00 52.11 H new ATOM 0 HB3 ASP A 111 -11.364 -21.398 -20.910 1.00 52.11 H new ATOM 1819 N ALA A 112 -10.818 -18.944 -22.157 1.00 35.14 N ATOM 1820 CA ALA A 112 -10.830 -18.223 -23.439 1.00 43.32 C ATOM 1821 C ALA A 112 -10.409 -16.749 -23.295 1.00 74.43 C ATOM 1822 O ALA A 112 -10.131 -16.072 -24.287 1.00 22.31 O ATOM 1823 CB ALA A 112 -12.212 -18.311 -24.076 1.00 11.25 C ATOM 0 H ALA A 112 -11.743 -19.199 -21.812 1.00 35.14 H new ATOM 0 HA ALA A 112 -10.094 -18.705 -24.083 1.00 43.32 H new ATOM 0 HB1 ALA A 112 -12.210 -17.774 -25.025 1.00 11.25 H new ATOM 0 HB2 ALA A 112 -12.466 -19.356 -24.251 1.00 11.25 H new ATOM 0 HB3 ALA A 112 -12.949 -17.866 -23.408 1.00 11.25 H new ATOM 1829 N GLN A 113 -10.356 -16.257 -22.060 1.00 63.30 N ATOM 1830 CA GLN A 113 -10.002 -14.855 -21.799 1.00 13.15 C ATOM 1831 C GLN A 113 -8.544 -14.714 -21.334 1.00 32.13 C ATOM 1832 O GLN A 113 -8.227 -13.867 -20.499 1.00 0.32 O ATOM 1833 CB GLN A 113 -10.957 -14.258 -20.756 1.00 54.14 C ATOM 1834 CG GLN A 113 -12.424 -14.290 -21.174 1.00 33.24 C ATOM 1835 CD GLN A 113 -12.686 -13.585 -22.495 1.00 41.41 C ATOM 1836 OE1 GLN A 113 -11.990 -12.647 -22.863 1.00 33.14 O ATOM 1837 NE2 GLN A 113 -13.699 -14.026 -23.213 1.00 75.43 N ATOM 0 H GLN A 113 -10.553 -16.804 -21.222 1.00 63.30 H new ATOM 0 HA GLN A 113 -10.102 -14.304 -22.734 1.00 13.15 H new ATOM 0 HB2 GLN A 113 -10.844 -14.804 -19.819 1.00 54.14 H new ATOM 0 HB3 GLN A 113 -10.667 -13.226 -20.561 1.00 54.14 H new ATOM 0 HG2 GLN A 113 -12.750 -15.327 -21.252 1.00 33.24 H new ATOM 0 HG3 GLN A 113 -13.027 -13.824 -20.395 1.00 33.24 H new ATOM 0 HE21 GLN A 113 -14.259 -14.810 -22.877 1.00 75.43 H new ATOM 0 HE22 GLN A 113 -13.923 -13.584 -24.104 1.00 75.43 H new ATOM 1846 N GLU A 114 -7.658 -15.523 -21.907 1.00 73.50 N ATOM 1847 CA GLU A 114 -6.229 -15.494 -21.561 1.00 72.23 C ATOM 1848 C GLU A 114 -5.600 -14.098 -21.762 1.00 73.22 C ATOM 1849 O GLU A 114 -4.759 -13.672 -20.968 1.00 54.21 O ATOM 1850 CB GLU A 114 -5.467 -16.544 -22.380 1.00 11.14 C ATOM 1851 CG GLU A 114 -5.695 -16.439 -23.883 1.00 12.31 C ATOM 1852 CD GLU A 114 -4.895 -17.461 -24.673 1.00 54.41 C ATOM 1853 OE1 GLU A 114 -3.738 -17.166 -25.039 1.00 62.44 O ATOM 1854 OE2 GLU A 114 -5.416 -18.568 -24.923 1.00 73.53 O ATOM 0 H GLU A 114 -7.900 -16.213 -22.618 1.00 73.50 H new ATOM 0 HA GLU A 114 -6.149 -15.730 -20.500 1.00 72.23 H new ATOM 0 HB2 GLU A 114 -4.401 -16.446 -22.176 1.00 11.14 H new ATOM 0 HB3 GLU A 114 -5.765 -17.538 -22.046 1.00 11.14 H new ATOM 0 HG2 GLU A 114 -6.756 -16.572 -24.095 1.00 12.31 H new ATOM 0 HG3 GLU A 114 -5.426 -15.437 -24.217 1.00 12.31 H new ATOM 1861 N LEU A 115 -5.994 -13.390 -22.820 1.00 71.34 N ATOM 1862 CA LEU A 115 -5.519 -12.016 -23.041 1.00 62.11 C ATOM 1863 C LEU A 115 -6.070 -11.066 -21.967 1.00 45.11 C ATOM 1864 O LEU A 115 -5.364 -10.180 -21.480 1.00 51.34 O ATOM 1865 CB LEU A 115 -5.905 -11.510 -24.443 1.00 24.44 C ATOM 1866 CG LEU A 115 -4.982 -11.951 -25.596 1.00 73.10 C ATOM 1867 CD1 LEU A 115 -3.545 -11.496 -25.347 1.00 50.21 C ATOM 1868 CD2 LEU A 115 -5.042 -13.460 -25.809 1.00 31.01 C ATOM 0 H LEU A 115 -6.635 -13.737 -23.534 1.00 71.34 H new ATOM 0 HA LEU A 115 -4.431 -12.031 -22.970 1.00 62.11 H new ATOM 0 HB2 LEU A 115 -6.917 -11.848 -24.664 1.00 24.44 H new ATOM 0 HB3 LEU A 115 -5.931 -10.421 -24.420 1.00 24.44 H new ATOM 0 HG LEU A 115 -5.339 -11.472 -26.507 1.00 73.10 H new ATOM 0 HD11 LEU A 115 -2.913 -11.819 -26.174 1.00 50.21 H new ATOM 0 HD12 LEU A 115 -3.516 -10.409 -25.271 1.00 50.21 H new ATOM 0 HD13 LEU A 115 -3.180 -11.935 -24.418 1.00 50.21 H new ATOM 0 HD21 LEU A 115 -4.380 -13.738 -26.629 1.00 31.01 H new ATOM 0 HD22 LEU A 115 -4.726 -13.969 -24.898 1.00 31.01 H new ATOM 0 HD23 LEU A 115 -6.063 -13.753 -26.052 1.00 31.01 H new ATOM 1880 N ALA A 116 -7.338 -11.259 -21.607 1.00 53.42 N ATOM 1881 CA ALA A 116 -7.961 -10.478 -20.535 1.00 51.21 C ATOM 1882 C ALA A 116 -7.272 -10.737 -19.187 1.00 52.33 C ATOM 1883 O ALA A 116 -7.141 -9.833 -18.364 1.00 3.21 O ATOM 1884 CB ALA A 116 -9.447 -10.795 -20.447 1.00 71.23 C ATOM 0 H ALA A 116 -7.954 -11.947 -22.040 1.00 53.42 H new ATOM 0 HA ALA A 116 -7.842 -9.421 -20.772 1.00 51.21 H new ATOM 0 HB1 ALA A 116 -9.897 -10.208 -19.647 1.00 71.23 H new ATOM 0 HB2 ALA A 116 -9.928 -10.548 -21.393 1.00 71.23 H new ATOM 0 HB3 ALA A 116 -9.581 -11.856 -20.238 1.00 71.23 H new ATOM 1890 N LYS A 117 -6.829 -11.975 -18.973 1.00 55.23 N ATOM 1891 CA LYS A 117 -6.090 -12.340 -17.756 1.00 21.33 C ATOM 1892 C LYS A 117 -4.721 -11.653 -17.701 1.00 44.15 C ATOM 1893 O LYS A 117 -4.356 -11.067 -16.682 1.00 64.52 O ATOM 1894 CB LYS A 117 -5.915 -13.855 -17.661 1.00 54.43 C ATOM 1895 CG LYS A 117 -7.227 -14.599 -17.449 1.00 53.54 C ATOM 1896 CD LYS A 117 -7.014 -15.969 -16.813 1.00 11.40 C ATOM 1897 CE LYS A 117 -6.320 -15.859 -15.454 1.00 61.34 C ATOM 1898 NZ LYS A 117 -4.834 -15.889 -15.563 1.00 22.20 N ATOM 0 H LYS A 117 -6.967 -12.747 -19.626 1.00 55.23 H new ATOM 0 HA LYS A 117 -6.678 -11.996 -16.905 1.00 21.33 H new ATOM 0 HB2 LYS A 117 -5.443 -14.218 -18.574 1.00 54.43 H new ATOM 0 HB3 LYS A 117 -5.237 -14.085 -16.839 1.00 54.43 H new ATOM 0 HG2 LYS A 117 -7.883 -14.003 -16.814 1.00 53.54 H new ATOM 0 HG3 LYS A 117 -7.734 -14.719 -18.406 1.00 53.54 H new ATOM 0 HD2 LYS A 117 -7.976 -16.467 -16.691 1.00 11.40 H new ATOM 0 HD3 LYS A 117 -6.415 -16.590 -17.479 1.00 11.40 H new ATOM 0 HE2 LYS A 117 -6.626 -14.932 -14.968 1.00 61.34 H new ATOM 0 HE3 LYS A 117 -6.650 -16.678 -14.815 1.00 61.34 H new ATOM 0 HZ1 LYS A 117 -4.442 -16.487 -14.807 1.00 22.20 H new ATOM 0 HZ2 LYS A 117 -4.562 -16.278 -16.488 1.00 22.20 H new ATOM 0 HZ3 LYS A 117 -4.460 -14.923 -15.470 1.00 22.20 H new ATOM 1912 N ALA A 118 -3.974 -11.719 -18.805 1.00 5.53 N ATOM 1913 CA ALA A 118 -2.650 -11.087 -18.892 1.00 3.43 C ATOM 1914 C ALA A 118 -2.707 -9.595 -18.528 1.00 13.50 C ATOM 1915 O ALA A 118 -1.756 -9.032 -17.981 1.00 32.02 O ATOM 1916 CB ALA A 118 -2.077 -11.270 -20.294 1.00 24.22 C ATOM 0 H ALA A 118 -4.262 -12.204 -19.655 1.00 5.53 H new ATOM 0 HA ALA A 118 -1.997 -11.576 -18.169 1.00 3.43 H new ATOM 0 HB1 ALA A 118 -1.096 -10.799 -20.350 1.00 24.22 H new ATOM 0 HB2 ALA A 118 -1.982 -12.334 -20.512 1.00 24.22 H new ATOM 0 HB3 ALA A 118 -2.743 -10.808 -21.023 1.00 24.22 H new ATOM 1922 N ALA A 119 -3.830 -8.960 -18.848 1.00 52.42 N ATOM 1923 CA ALA A 119 -4.053 -7.557 -18.500 1.00 12.44 C ATOM 1924 C ALA A 119 -4.575 -7.410 -17.060 1.00 1.44 C ATOM 1925 O ALA A 119 -3.989 -6.695 -16.248 1.00 62.13 O ATOM 1926 CB ALA A 119 -5.028 -6.924 -19.486 1.00 24.41 C ATOM 0 H ALA A 119 -4.604 -9.395 -19.350 1.00 52.42 H new ATOM 0 HA ALA A 119 -3.096 -7.038 -18.559 1.00 12.44 H new ATOM 0 HB1 ALA A 119 -5.188 -5.879 -19.219 1.00 24.41 H new ATOM 0 HB2 ALA A 119 -4.616 -6.982 -20.493 1.00 24.41 H new ATOM 0 HB3 ALA A 119 -5.978 -7.457 -19.451 1.00 24.41 H new ATOM 1932 N GLU A 120 -5.668 -8.114 -16.747 1.00 52.31 N ATOM 1933 CA GLU A 120 -6.349 -7.993 -15.445 1.00 70.22 C ATOM 1934 C GLU A 120 -5.411 -8.302 -14.260 1.00 42.40 C ATOM 1935 O GLU A 120 -5.380 -7.560 -13.278 1.00 61.54 O ATOM 1936 CB GLU A 120 -7.572 -8.927 -15.392 1.00 42.21 C ATOM 1937 CG GLU A 120 -8.485 -8.695 -14.187 1.00 54.35 C ATOM 1938 CD GLU A 120 -9.330 -7.432 -14.306 1.00 41.01 C ATOM 1939 OE1 GLU A 120 -8.783 -6.317 -14.176 1.00 61.41 O ATOM 1940 OE2 GLU A 120 -10.558 -7.554 -14.524 1.00 3.24 O ATOM 0 H GLU A 120 -6.107 -8.781 -17.382 1.00 52.31 H new ATOM 0 HA GLU A 120 -6.671 -6.956 -15.351 1.00 70.22 H new ATOM 0 HB2 GLU A 120 -8.154 -8.798 -16.305 1.00 42.21 H new ATOM 0 HB3 GLU A 120 -7.226 -9.960 -15.378 1.00 42.21 H new ATOM 0 HG2 GLU A 120 -9.144 -9.555 -14.068 1.00 54.35 H new ATOM 0 HG3 GLU A 120 -7.876 -8.633 -13.285 1.00 54.35 H new ATOM 1947 N GLU A 121 -4.647 -9.396 -14.358 1.00 54.24 N ATOM 1948 CA GLU A 121 -3.705 -9.783 -13.293 1.00 20.34 C ATOM 1949 C GLU A 121 -2.732 -8.637 -12.963 1.00 21.01 C ATOM 1950 O GLU A 121 -2.344 -8.449 -11.811 1.00 12.41 O ATOM 1951 CB GLU A 121 -2.929 -11.052 -13.697 1.00 61.43 C ATOM 1952 CG GLU A 121 -3.804 -12.304 -13.783 1.00 75.34 C ATOM 1953 CD GLU A 121 -3.044 -13.541 -14.246 1.00 51.24 C ATOM 1954 OE1 GLU A 121 -2.382 -14.196 -13.413 1.00 51.12 O ATOM 1955 OE2 GLU A 121 -3.119 -13.878 -15.449 1.00 70.51 O ATOM 0 H GLU A 121 -4.660 -10.028 -15.158 1.00 54.24 H new ATOM 0 HA GLU A 121 -4.284 -9.997 -12.395 1.00 20.34 H new ATOM 0 HB2 GLU A 121 -2.453 -10.884 -14.663 1.00 61.43 H new ATOM 0 HB3 GLU A 121 -2.131 -11.225 -12.975 1.00 61.43 H new ATOM 0 HG2 GLU A 121 -4.242 -12.500 -12.804 1.00 75.34 H new ATOM 0 HG3 GLU A 121 -4.629 -12.115 -14.469 1.00 75.34 H new ATOM 1962 N GLU A 122 -2.360 -7.865 -13.983 1.00 63.11 N ATOM 1963 CA GLU A 122 -1.491 -6.698 -13.800 1.00 34.41 C ATOM 1964 C GLU A 122 -2.291 -5.492 -13.282 1.00 33.32 C ATOM 1965 O GLU A 122 -1.880 -4.811 -12.336 1.00 0.42 O ATOM 1966 CB GLU A 122 -0.816 -6.341 -15.132 1.00 4.51 C ATOM 1967 CG GLU A 122 0.145 -5.159 -15.044 1.00 13.22 C ATOM 1968 CD GLU A 122 0.770 -4.806 -16.388 1.00 32.03 C ATOM 1969 OE1 GLU A 122 1.527 -5.639 -16.933 1.00 44.00 O ATOM 1970 OE2 GLU A 122 0.508 -3.699 -16.905 1.00 73.54 O ATOM 0 H GLU A 122 -2.647 -8.026 -14.949 1.00 63.11 H new ATOM 0 HA GLU A 122 -0.731 -6.948 -13.060 1.00 34.41 H new ATOM 0 HB2 GLU A 122 -0.272 -7.212 -15.497 1.00 4.51 H new ATOM 0 HB3 GLU A 122 -1.587 -6.115 -15.869 1.00 4.51 H new ATOM 0 HG2 GLU A 122 -0.388 -4.291 -14.657 1.00 13.22 H new ATOM 0 HG3 GLU A 122 0.936 -5.391 -14.330 1.00 13.22 H new ATOM 1977 N MET A 123 -3.446 -5.249 -13.901 1.00 61.12 N ATOM 1978 CA MET A 123 -4.297 -4.101 -13.573 1.00 42.21 C ATOM 1979 C MET A 123 -4.771 -4.121 -12.111 1.00 73.41 C ATOM 1980 O MET A 123 -4.778 -3.088 -11.445 1.00 34.22 O ATOM 1981 CB MET A 123 -5.499 -4.049 -14.525 1.00 34.24 C ATOM 1982 CG MET A 123 -5.108 -3.813 -15.979 1.00 42.44 C ATOM 1983 SD MET A 123 -6.522 -3.829 -17.098 1.00 5.25 S ATOM 1984 CE MET A 123 -7.497 -2.485 -16.427 1.00 41.41 C ATOM 0 H MET A 123 -3.819 -5.840 -14.643 1.00 61.12 H new ATOM 0 HA MET A 123 -3.694 -3.202 -13.699 1.00 42.21 H new ATOM 0 HB2 MET A 123 -6.052 -4.986 -14.452 1.00 34.24 H new ATOM 0 HB3 MET A 123 -6.173 -3.255 -14.204 1.00 34.24 H new ATOM 0 HG2 MET A 123 -4.597 -2.854 -16.061 1.00 42.44 H new ATOM 0 HG3 MET A 123 -4.398 -4.580 -16.288 1.00 42.44 H new ATOM 0 HE1 MET A 123 -8.200 -2.133 -17.182 1.00 41.41 H new ATOM 0 HE2 MET A 123 -8.047 -2.835 -15.554 1.00 41.41 H new ATOM 0 HE3 MET A 123 -6.838 -1.667 -16.136 1.00 41.41 H new ATOM 1994 N LEU A 124 -5.168 -5.290 -11.616 1.00 43.24 N ATOM 1995 CA LEU A 124 -5.598 -5.429 -10.221 1.00 20.24 C ATOM 1996 C LEU A 124 -4.420 -5.282 -9.248 1.00 4.24 C ATOM 1997 O LEU A 124 -4.583 -4.776 -8.140 1.00 70.33 O ATOM 1998 CB LEU A 124 -6.295 -6.777 -10.000 1.00 44.44 C ATOM 1999 CG LEU A 124 -7.601 -6.979 -10.786 1.00 25.01 C ATOM 2000 CD1 LEU A 124 -8.234 -8.320 -10.439 1.00 31.25 C ATOM 2001 CD2 LEU A 124 -8.576 -5.834 -10.518 1.00 50.11 C ATOM 0 H LEU A 124 -5.202 -6.155 -12.156 1.00 43.24 H new ATOM 0 HA LEU A 124 -6.306 -4.625 -10.019 1.00 20.24 H new ATOM 0 HB2 LEU A 124 -5.602 -7.574 -10.269 1.00 44.44 H new ATOM 0 HB3 LEU A 124 -6.510 -6.886 -8.937 1.00 44.44 H new ATOM 0 HG LEU A 124 -7.363 -6.979 -11.850 1.00 25.01 H new ATOM 0 HD11 LEU A 124 -9.157 -8.444 -11.005 1.00 31.25 H new ATOM 0 HD12 LEU A 124 -7.543 -9.125 -10.691 1.00 31.25 H new ATOM 0 HD13 LEU A 124 -8.456 -8.353 -9.372 1.00 31.25 H new ATOM 0 HD21 LEU A 124 -9.493 -5.997 -11.084 1.00 50.11 H new ATOM 0 HD22 LEU A 124 -8.808 -5.796 -9.454 1.00 50.11 H new ATOM 0 HD23 LEU A 124 -8.123 -4.891 -10.825 1.00 50.11 H new ATOM 2013 N TYR A 125 -3.234 -5.725 -9.668 1.00 42.42 N ATOM 2014 CA TYR A 125 -2.030 -5.605 -8.838 1.00 44.24 C ATOM 2015 C TYR A 125 -1.637 -4.129 -8.647 1.00 13.20 C ATOM 2016 O TYR A 125 -1.421 -3.671 -7.522 1.00 72.13 O ATOM 2017 CB TYR A 125 -0.868 -6.391 -9.468 1.00 34.53 C ATOM 2018 CG TYR A 125 0.409 -6.365 -8.644 1.00 34.12 C ATOM 2019 CD1 TYR A 125 0.532 -7.136 -7.492 1.00 10.13 C ATOM 2020 CD2 TYR A 125 1.488 -5.565 -9.013 1.00 60.42 C ATOM 2021 CE1 TYR A 125 1.687 -7.114 -6.734 1.00 0.31 C ATOM 2022 CE2 TYR A 125 2.647 -5.536 -8.260 1.00 15.13 C ATOM 2023 CZ TYR A 125 2.742 -6.313 -7.121 1.00 4.21 C ATOM 2024 OH TYR A 125 3.899 -6.287 -6.368 1.00 75.51 O ATOM 0 H TYR A 125 -3.079 -6.168 -10.573 1.00 42.42 H new ATOM 0 HA TYR A 125 -2.249 -6.027 -7.857 1.00 44.24 H new ATOM 0 HB2 TYR A 125 -1.177 -7.427 -9.609 1.00 34.53 H new ATOM 0 HB3 TYR A 125 -0.660 -5.983 -10.457 1.00 34.53 H new ATOM 0 HD1 TYR A 125 -0.291 -7.764 -7.185 1.00 10.13 H new ATOM 0 HD2 TYR A 125 1.418 -4.957 -9.903 1.00 60.42 H new ATOM 0 HE1 TYR A 125 1.764 -7.720 -5.844 1.00 0.31 H new ATOM 0 HE2 TYR A 125 3.474 -4.909 -8.560 1.00 15.13 H new ATOM 0 HH TYR A 125 4.543 -5.673 -6.779 1.00 75.51 H new ATOM 2034 N LYS A 126 -1.549 -3.389 -9.755 1.00 55.01 N ATOM 2035 CA LYS A 126 -1.229 -1.957 -9.702 1.00 65.34 C ATOM 2036 C LYS A 126 -2.374 -1.152 -9.056 1.00 24.14 C ATOM 2037 O LYS A 126 -2.136 -0.146 -8.387 1.00 72.32 O ATOM 2038 CB LYS A 126 -0.913 -1.430 -11.114 1.00 2.04 C ATOM 2039 CG LYS A 126 -2.049 -1.614 -12.118 1.00 10.23 C ATOM 2040 CD LYS A 126 -1.601 -1.353 -13.557 1.00 3.24 C ATOM 2041 CE LYS A 126 -1.181 0.093 -13.782 1.00 51.10 C ATOM 2042 NZ LYS A 126 -0.690 0.311 -15.168 1.00 45.24 N ATOM 0 H LYS A 126 -1.694 -3.754 -10.696 1.00 55.01 H new ATOM 0 HA LYS A 126 -0.345 -1.827 -9.077 1.00 65.34 H new ATOM 0 HB2 LYS A 126 -0.669 -0.370 -11.048 1.00 2.04 H new ATOM 0 HB3 LYS A 126 -0.025 -1.938 -11.489 1.00 2.04 H new ATOM 0 HG2 LYS A 126 -2.439 -2.629 -12.040 1.00 10.23 H new ATOM 0 HG3 LYS A 126 -2.866 -0.938 -11.866 1.00 10.23 H new ATOM 0 HD2 LYS A 126 -0.768 -2.012 -13.800 1.00 3.24 H new ATOM 0 HD3 LYS A 126 -2.414 -1.602 -14.239 1.00 3.24 H new ATOM 0 HE2 LYS A 126 -2.027 0.753 -13.587 1.00 51.10 H new ATOM 0 HE3 LYS A 126 -0.398 0.360 -13.072 1.00 51.10 H new ATOM 0 HZ1 LYS A 126 -0.413 1.306 -15.286 1.00 45.24 H new ATOM 0 HZ2 LYS A 126 0.132 -0.301 -15.345 1.00 45.24 H new ATOM 0 HZ3 LYS A 126 -1.446 0.080 -15.844 1.00 45.24 H new ATOM 2056 N ASP A 127 -3.610 -1.611 -9.252 1.00 10.44 N ATOM 2057 CA ASP A 127 -4.784 -0.999 -8.614 1.00 5.41 C ATOM 2058 C ASP A 127 -4.734 -1.187 -7.087 1.00 31.42 C ATOM 2059 O ASP A 127 -4.953 -0.247 -6.324 1.00 72.21 O ATOM 2060 CB ASP A 127 -6.062 -1.622 -9.191 1.00 12.54 C ATOM 2061 CG ASP A 127 -7.337 -0.996 -8.649 1.00 34.53 C ATOM 2062 OD1 ASP A 127 -7.696 0.115 -9.090 1.00 73.42 O ATOM 2063 OD2 ASP A 127 -8.002 -1.622 -7.797 1.00 72.45 O ATOM 0 H ASP A 127 -3.829 -2.408 -9.850 1.00 10.44 H new ATOM 0 HA ASP A 127 -4.782 0.071 -8.820 1.00 5.41 H new ATOM 0 HB2 ASP A 127 -6.049 -1.520 -10.276 1.00 12.54 H new ATOM 0 HB3 ASP A 127 -6.068 -2.690 -8.971 1.00 12.54 H new ATOM 2068 N MET A 128 -4.422 -2.410 -6.655 1.00 11.02 N ATOM 2069 CA MET A 128 -4.311 -2.730 -5.227 1.00 54.14 C ATOM 2070 C MET A 128 -3.219 -1.878 -4.557 1.00 22.24 C ATOM 2071 O MET A 128 -3.410 -1.348 -3.459 1.00 23.44 O ATOM 2072 CB MET A 128 -4.000 -4.227 -5.046 1.00 64.24 C ATOM 2073 CG MET A 128 -4.145 -4.738 -3.613 1.00 2.20 C ATOM 2074 SD MET A 128 -5.814 -5.319 -3.221 1.00 75.42 S ATOM 2075 CE MET A 128 -6.786 -3.817 -3.329 1.00 33.42 C ATOM 0 H MET A 128 -4.241 -3.199 -7.275 1.00 11.02 H new ATOM 0 HA MET A 128 -5.263 -2.502 -4.749 1.00 54.14 H new ATOM 0 HB2 MET A 128 -4.663 -4.803 -5.692 1.00 64.24 H new ATOM 0 HB3 MET A 128 -2.981 -4.417 -5.384 1.00 64.24 H new ATOM 0 HG2 MET A 128 -3.438 -5.552 -3.452 1.00 2.20 H new ATOM 0 HG3 MET A 128 -3.875 -3.940 -2.922 1.00 2.20 H new ATOM 0 HE1 MET A 128 -7.678 -3.916 -2.710 1.00 33.42 H new ATOM 0 HE2 MET A 128 -6.192 -2.973 -2.977 1.00 33.42 H new ATOM 0 HE3 MET A 128 -7.080 -3.647 -4.365 1.00 33.42 H new ATOM 2085 N GLN A 129 -2.072 -1.761 -5.227 1.00 73.13 N ATOM 2086 CA GLN A 129 -0.982 -0.887 -4.769 1.00 44.31 C ATOM 2087 C GLN A 129 -1.439 0.581 -4.723 1.00 21.44 C ATOM 2088 O GLN A 129 -1.128 1.313 -3.780 1.00 13.44 O ATOM 2089 CB GLN A 129 0.233 -1.035 -5.704 1.00 4.02 C ATOM 2090 CG GLN A 129 1.368 -0.045 -5.437 1.00 51.04 C ATOM 2091 CD GLN A 129 1.971 -0.174 -4.045 1.00 25.44 C ATOM 2092 OE1 GLN A 129 2.477 0.919 -3.513 1.00 34.02 O flip ATOM 2093 NE2 GLN A 129 1.994 -1.248 -3.457 1.00 34.30 N flip ATOM 0 H GLN A 129 -1.870 -2.261 -6.093 1.00 73.13 H new ATOM 0 HA GLN A 129 -0.699 -1.187 -3.760 1.00 44.31 H new ATOM 0 HB2 GLN A 129 0.624 -2.048 -5.612 1.00 4.02 H new ATOM 0 HB3 GLN A 129 -0.102 -0.914 -6.734 1.00 4.02 H new ATOM 0 HG2 GLN A 129 2.152 -0.194 -6.179 1.00 51.04 H new ATOM 0 HG3 GLN A 129 0.993 0.970 -5.569 1.00 51.04 H new ATOM 0 HE21 GLN A 129 1.594 -2.078 -3.895 1.00 34.30 H new ATOM 0 HE22 GLN A 129 2.413 -1.313 -2.529 1.00 34.30 H new ATOM 2102 N LYS A 130 -2.182 0.991 -5.748 1.00 42.24 N ATOM 2103 CA LYS A 130 -2.712 2.352 -5.848 1.00 30.25 C ATOM 2104 C LYS A 130 -3.576 2.715 -4.625 1.00 71.40 C ATOM 2105 O LYS A 130 -3.343 3.736 -3.978 1.00 63.04 O ATOM 2106 CB LYS A 130 -3.512 2.495 -7.152 1.00 21.11 C ATOM 2107 CG LYS A 130 -4.252 3.820 -7.307 1.00 33.40 C ATOM 2108 CD LYS A 130 -4.862 3.957 -8.702 1.00 34.05 C ATOM 2109 CE LYS A 130 -5.945 5.029 -8.745 1.00 61.32 C ATOM 2110 NZ LYS A 130 -7.131 4.643 -7.938 1.00 44.24 N ATOM 0 H LYS A 130 -2.435 0.391 -6.533 1.00 42.24 H new ATOM 0 HA LYS A 130 -1.876 3.051 -5.864 1.00 30.25 H new ATOM 0 HB2 LYS A 130 -2.831 2.375 -7.995 1.00 21.11 H new ATOM 0 HB3 LYS A 130 -4.236 1.682 -7.209 1.00 21.11 H new ATOM 0 HG2 LYS A 130 -5.039 3.889 -6.556 1.00 33.40 H new ATOM 0 HG3 LYS A 130 -3.564 4.646 -7.126 1.00 33.40 H new ATOM 0 HD2 LYS A 130 -4.078 4.203 -9.418 1.00 34.05 H new ATOM 0 HD3 LYS A 130 -5.285 3.001 -9.009 1.00 34.05 H new ATOM 0 HE2 LYS A 130 -5.541 5.970 -8.371 1.00 61.32 H new ATOM 0 HE3 LYS A 130 -6.247 5.200 -9.778 1.00 61.32 H new ATOM 0 HZ1 LYS A 130 -7.970 4.601 -8.552 1.00 44.24 H new ATOM 0 HZ2 LYS A 130 -6.970 3.710 -7.508 1.00 44.24 H new ATOM 0 HZ3 LYS A 130 -7.285 5.347 -7.189 1.00 44.24 H new ATOM 2124 N ASP A 131 -4.563 1.877 -4.300 1.00 2.23 N ATOM 2125 CA ASP A 131 -5.386 2.095 -3.102 1.00 41.24 C ATOM 2126 C ASP A 131 -4.530 2.073 -1.822 1.00 15.11 C ATOM 2127 O ASP A 131 -4.631 2.967 -0.980 1.00 45.11 O ATOM 2128 CB ASP A 131 -6.489 1.037 -2.999 1.00 31.42 C ATOM 2129 CG ASP A 131 -7.530 1.171 -4.095 1.00 62.22 C ATOM 2130 OD1 ASP A 131 -8.453 1.997 -3.950 1.00 31.22 O ATOM 2131 OD2 ASP A 131 -7.439 0.443 -5.100 1.00 54.43 O ATOM 0 H ASP A 131 -4.812 1.049 -4.841 1.00 2.23 H new ATOM 0 HA ASP A 131 -5.843 3.080 -3.198 1.00 41.24 H new ATOM 0 HB2 ASP A 131 -6.041 0.044 -3.048 1.00 31.42 H new ATOM 0 HB3 ASP A 131 -6.977 1.119 -2.028 1.00 31.42 H new ATOM 2136 N ALA A 132 -3.684 1.050 -1.690 1.00 25.31 N ATOM 2137 CA ALA A 132 -2.840 0.875 -0.502 1.00 30.43 C ATOM 2138 C ALA A 132 -2.023 2.134 -0.172 1.00 12.04 C ATOM 2139 O ALA A 132 -2.140 2.691 0.923 1.00 53.13 O ATOM 2140 CB ALA A 132 -1.907 -0.315 -0.698 1.00 74.14 C ATOM 0 H ALA A 132 -3.563 0.324 -2.396 1.00 25.31 H new ATOM 0 HA ALA A 132 -3.504 0.690 0.343 1.00 30.43 H new ATOM 0 HB1 ALA A 132 -1.284 -0.439 0.188 1.00 74.14 H new ATOM 0 HB2 ALA A 132 -2.497 -1.218 -0.855 1.00 74.14 H new ATOM 0 HB3 ALA A 132 -1.272 -0.140 -1.567 1.00 74.14 H new ATOM 2146 N VAL A 133 -1.206 2.584 -1.125 1.00 32.42 N ATOM 2147 CA VAL A 133 -0.328 3.739 -0.906 1.00 22.32 C ATOM 2148 C VAL A 133 -1.126 5.015 -0.568 1.00 2.11 C ATOM 2149 O VAL A 133 -0.709 5.814 0.278 1.00 5.33 O ATOM 2150 CB VAL A 133 0.586 3.998 -2.135 1.00 40.40 C ATOM 2151 CG1 VAL A 133 -0.231 4.374 -3.369 1.00 40.14 C ATOM 2152 CG2 VAL A 133 1.625 5.072 -1.820 1.00 33.42 C ATOM 0 H VAL A 133 -1.132 2.169 -2.054 1.00 32.42 H new ATOM 0 HA VAL A 133 0.299 3.493 -0.049 1.00 22.32 H new ATOM 0 HB VAL A 133 1.111 3.070 -2.359 1.00 40.40 H new ATOM 0 HG11 VAL A 133 0.440 4.548 -4.210 1.00 40.14 H new ATOM 0 HG12 VAL A 133 -0.916 3.562 -3.613 1.00 40.14 H new ATOM 0 HG13 VAL A 133 -0.801 5.281 -3.166 1.00 40.14 H new ATOM 0 HG21 VAL A 133 2.254 5.237 -2.695 1.00 33.42 H new ATOM 0 HG22 VAL A 133 1.120 6.001 -1.556 1.00 33.42 H new ATOM 0 HG23 VAL A 133 2.244 4.745 -0.984 1.00 33.42 H new ATOM 2162 N GLN A 134 -2.281 5.194 -1.211 1.00 2.52 N ATOM 2163 CA GLN A 134 -3.129 6.365 -0.957 1.00 32.34 C ATOM 2164 C GLN A 134 -3.762 6.309 0.440 1.00 22.34 C ATOM 2165 O GLN A 134 -3.921 7.338 1.097 1.00 22.33 O ATOM 2166 CB GLN A 134 -4.228 6.487 -2.026 1.00 42.01 C ATOM 2167 CG GLN A 134 -3.699 6.647 -3.449 1.00 21.44 C ATOM 2168 CD GLN A 134 -2.823 7.875 -3.641 1.00 12.44 C ATOM 2169 OE1 GLN A 134 -2.990 8.893 -2.978 1.00 13.54 O ATOM 2170 NE2 GLN A 134 -1.883 7.789 -4.561 1.00 73.43 N ATOM 0 H GLN A 134 -2.651 4.548 -1.908 1.00 2.52 H new ATOM 0 HA GLN A 134 -2.488 7.245 -1.006 1.00 32.34 H new ATOM 0 HB2 GLN A 134 -4.862 5.601 -1.983 1.00 42.01 H new ATOM 0 HB3 GLN A 134 -4.860 7.342 -1.786 1.00 42.01 H new ATOM 0 HG2 GLN A 134 -3.127 5.758 -3.717 1.00 21.44 H new ATOM 0 HG3 GLN A 134 -4.543 6.702 -4.137 1.00 21.44 H new ATOM 0 HE21 GLN A 134 -1.770 6.928 -5.096 1.00 73.43 H new ATOM 0 HE22 GLN A 134 -1.269 8.584 -4.738 1.00 73.43 H new ATOM 2179 N GLN A 135 -4.118 5.105 0.900 1.00 25.24 N ATOM 2180 CA GLN A 135 -4.702 4.941 2.238 1.00 71.20 C ATOM 2181 C GLN A 135 -3.683 5.269 3.341 1.00 61.03 C ATOM 2182 O GLN A 135 -4.056 5.773 4.403 1.00 45.12 O ATOM 2183 CB GLN A 135 -5.259 3.525 2.441 1.00 54.22 C ATOM 2184 CG GLN A 135 -6.426 3.178 1.519 1.00 31.14 C ATOM 2185 CD GLN A 135 -7.200 1.956 1.985 1.00 34.32 C ATOM 2186 OE1 GLN A 135 -6.797 0.787 1.538 1.00 14.00 O flip ATOM 2187 NE2 GLN A 135 -8.158 2.065 2.743 1.00 23.33 N flip ATOM 0 H GLN A 135 -4.014 4.238 0.373 1.00 25.24 H new ATOM 0 HA GLN A 135 -5.528 5.648 2.310 1.00 71.20 H new ATOM 0 HB2 GLN A 135 -4.457 2.804 2.282 1.00 54.22 H new ATOM 0 HB3 GLN A 135 -5.583 3.418 3.476 1.00 54.22 H new ATOM 0 HG2 GLN A 135 -7.103 4.031 1.460 1.00 31.14 H new ATOM 0 HG3 GLN A 135 -6.048 3.001 0.512 1.00 31.14 H new ATOM 0 HE21 GLN A 135 -8.446 2.987 3.072 1.00 23.33 H new ATOM 0 HE22 GLN A 135 -8.667 1.234 3.044 1.00 23.33 H new ATOM 2196 N ILE A 136 -2.403 4.986 3.088 1.00 74.32 N ATOM 2197 CA ILE A 136 -1.334 5.360 4.024 1.00 63.12 C ATOM 2198 C ILE A 136 -1.319 6.882 4.242 1.00 55.53 C ATOM 2199 O ILE A 136 -1.537 7.369 5.353 1.00 15.44 O ATOM 2200 CB ILE A 136 0.063 4.916 3.513 1.00 21.34 C ATOM 2201 CG1 ILE A 136 0.089 3.403 3.237 1.00 4.12 C ATOM 2202 CG2 ILE A 136 1.151 5.300 4.519 1.00 31.11 C ATOM 2203 CD1 ILE A 136 1.400 2.909 2.655 1.00 72.12 C ATOM 0 H ILE A 136 -2.080 4.503 2.250 1.00 74.32 H new ATOM 0 HA ILE A 136 -1.542 4.848 4.964 1.00 63.12 H new ATOM 0 HB ILE A 136 0.263 5.435 2.576 1.00 21.34 H new ATOM 0 HG12 ILE A 136 -0.109 2.870 4.167 1.00 4.12 H new ATOM 0 HG13 ILE A 136 -0.719 3.155 2.549 1.00 4.12 H new ATOM 0 HG21 ILE A 136 2.123 4.981 4.143 1.00 31.11 H new ATOM 0 HG22 ILE A 136 1.153 6.381 4.658 1.00 31.11 H new ATOM 0 HG23 ILE A 136 0.953 4.812 5.473 1.00 31.11 H new ATOM 0 HD11 ILE A 136 1.342 1.833 2.488 1.00 72.12 H new ATOM 0 HD12 ILE A 136 1.591 3.414 1.708 1.00 72.12 H new ATOM 0 HD13 ILE A 136 2.211 3.125 3.351 1.00 72.12 H new ATOM 2215 N LEU A 137 -1.077 7.622 3.158 1.00 52.14 N ATOM 2216 CA LEU A 137 -1.081 9.090 3.191 1.00 41.05 C ATOM 2217 C LEU A 137 -2.413 9.631 3.738 1.00 14.30 C ATOM 2218 O LEU A 137 -2.439 10.581 4.522 1.00 43.45 O ATOM 2219 CB LEU A 137 -0.829 9.640 1.781 1.00 73.33 C ATOM 2220 CG LEU A 137 -0.947 11.164 1.640 1.00 25.32 C ATOM 2221 CD1 LEU A 137 0.045 11.870 2.563 1.00 4.13 C ATOM 2222 CD2 LEU A 137 -0.733 11.586 0.189 1.00 54.10 C ATOM 0 H LEU A 137 -0.874 7.227 2.240 1.00 52.14 H new ATOM 0 HA LEU A 137 -0.285 9.420 3.858 1.00 41.05 H new ATOM 0 HB2 LEU A 137 0.170 9.339 1.465 1.00 73.33 H new ATOM 0 HB3 LEU A 137 -1.535 9.172 1.095 1.00 73.33 H new ATOM 0 HG LEU A 137 -1.954 11.459 1.936 1.00 25.32 H new ATOM 0 HD11 LEU A 137 -0.055 12.949 2.447 1.00 4.13 H new ATOM 0 HD12 LEU A 137 -0.161 11.595 3.597 1.00 4.13 H new ATOM 0 HD13 LEU A 137 1.060 11.570 2.304 1.00 4.13 H new ATOM 0 HD21 LEU A 137 -0.820 12.670 0.109 1.00 54.10 H new ATOM 0 HD22 LEU A 137 0.260 11.277 -0.137 1.00 54.10 H new ATOM 0 HD23 LEU A 137 -1.486 11.113 -0.442 1.00 54.10 H new ATOM 2234 N ARG A 138 -3.509 9.014 3.311 1.00 50.42 N ATOM 2235 CA ARG A 138 -4.850 9.371 3.783 1.00 11.42 C ATOM 2236 C ARG A 138 -4.927 9.406 5.317 1.00 40.22 C ATOM 2237 O ARG A 138 -5.221 10.446 5.900 1.00 3.43 O ATOM 2238 CB ARG A 138 -5.869 8.375 3.217 1.00 53.34 C ATOM 2239 CG ARG A 138 -7.255 8.442 3.852 1.00 2.54 C ATOM 2240 CD ARG A 138 -8.194 7.402 3.244 1.00 61.03 C ATOM 2241 NE ARG A 138 -9.419 7.236 4.019 1.00 31.14 N ATOM 2242 CZ ARG A 138 -10.494 6.640 3.579 1.00 44.14 C ATOM 2243 NH1 ARG A 138 -10.560 6.214 2.355 1.00 33.51 N ATOM 2244 NH2 ARG A 138 -11.510 6.487 4.365 1.00 34.32 N ATOM 0 H ARG A 138 -3.498 8.254 2.630 1.00 50.42 H new ATOM 0 HA ARG A 138 -5.081 10.375 3.428 1.00 11.42 H new ATOM 0 HB2 ARG A 138 -5.968 8.548 2.145 1.00 53.34 H new ATOM 0 HB3 ARG A 138 -5.477 7.366 3.342 1.00 53.34 H new ATOM 0 HG2 ARG A 138 -7.174 8.278 4.926 1.00 2.54 H new ATOM 0 HG3 ARG A 138 -7.674 9.439 3.713 1.00 2.54 H new ATOM 0 HD2 ARG A 138 -8.449 7.698 2.226 1.00 61.03 H new ATOM 0 HD3 ARG A 138 -7.677 6.445 3.178 1.00 61.03 H new ATOM 0 HE ARG A 138 -9.437 7.610 4.968 1.00 31.14 H new ATOM 0 HH11 ARG A 138 -9.767 6.343 1.726 1.00 33.51 H new ATOM 0 HH12 ARG A 138 -11.405 5.750 2.021 1.00 33.51 H new ATOM 0 HH21 ARG A 138 -11.469 6.831 5.324 1.00 34.32 H new ATOM 0 HH22 ARG A 138 -12.352 6.022 4.026 1.00 34.32 H new ATOM 2258 N GLN A 139 -4.642 8.277 5.969 1.00 10.45 N ATOM 2259 CA GLN A 139 -4.712 8.202 7.437 1.00 22.34 C ATOM 2260 C GLN A 139 -3.725 9.182 8.096 1.00 10.24 C ATOM 2261 O GLN A 139 -4.098 9.946 8.989 1.00 50.54 O ATOM 2262 CB GLN A 139 -4.434 6.771 7.923 1.00 10.43 C ATOM 2263 CG GLN A 139 -5.350 5.719 7.308 1.00 51.20 C ATOM 2264 CD GLN A 139 -5.162 4.338 7.918 1.00 5.12 C ATOM 2265 OE1 GLN A 139 -4.872 4.197 9.099 1.00 4.53 O ATOM 2266 NE2 GLN A 139 -5.325 3.304 7.116 1.00 2.10 N ATOM 0 H GLN A 139 -4.363 7.408 5.513 1.00 10.45 H new ATOM 0 HA GLN A 139 -5.723 8.485 7.731 1.00 22.34 H new ATOM 0 HB2 GLN A 139 -3.399 6.515 7.695 1.00 10.43 H new ATOM 0 HB3 GLN A 139 -4.538 6.740 9.008 1.00 10.43 H new ATOM 0 HG2 GLN A 139 -6.387 6.029 7.436 1.00 51.20 H new ATOM 0 HG3 GLN A 139 -5.164 5.665 6.235 1.00 51.20 H new ATOM 0 HE21 GLN A 139 -5.567 3.452 6.136 1.00 2.10 H new ATOM 0 HE22 GLN A 139 -5.210 2.356 7.476 1.00 2.10 H new ATOM 2275 N VAL A 140 -2.472 9.164 7.635 1.00 72.40 N ATOM 2276 CA VAL A 140 -1.427 10.057 8.165 1.00 20.10 C ATOM 2277 C VAL A 140 -1.866 11.532 8.142 1.00 41.52 C ATOM 2278 O VAL A 140 -1.682 12.265 9.116 1.00 24.24 O ATOM 2279 CB VAL A 140 -0.100 9.899 7.368 1.00 25.04 C ATOM 2280 CG1 VAL A 140 0.946 10.925 7.811 1.00 13.41 C ATOM 2281 CG2 VAL A 140 0.445 8.480 7.514 1.00 63.12 C ATOM 0 H VAL A 140 -2.151 8.541 6.894 1.00 72.40 H new ATOM 0 HA VAL A 140 -1.261 9.764 9.202 1.00 20.10 H new ATOM 0 HB VAL A 140 -0.320 10.083 6.316 1.00 25.04 H new ATOM 0 HG11 VAL A 140 1.860 10.785 7.234 1.00 13.41 H new ATOM 0 HG12 VAL A 140 0.562 11.931 7.645 1.00 13.41 H new ATOM 0 HG13 VAL A 140 1.162 10.790 8.871 1.00 13.41 H new ATOM 0 HG21 VAL A 140 1.373 8.387 6.950 1.00 63.12 H new ATOM 0 HG22 VAL A 140 0.637 8.270 8.566 1.00 63.12 H new ATOM 0 HG23 VAL A 140 -0.286 7.768 7.130 1.00 63.12 H new ATOM 2291 N SER A 141 -2.460 11.956 7.029 1.00 44.32 N ATOM 2292 CA SER A 141 -2.916 13.346 6.872 1.00 54.24 C ATOM 2293 C SER A 141 -4.265 13.587 7.571 1.00 63.44 C ATOM 2294 O SER A 141 -4.580 14.714 7.958 1.00 62.01 O ATOM 2295 CB SER A 141 -3.035 13.709 5.383 1.00 13.52 C ATOM 2296 OG SER A 141 -4.048 12.951 4.736 1.00 21.14 O ATOM 0 H SER A 141 -2.639 11.362 6.220 1.00 44.32 H new ATOM 0 HA SER A 141 -2.170 13.985 7.344 1.00 54.24 H new ATOM 0 HB2 SER A 141 -3.257 14.772 5.284 1.00 13.52 H new ATOM 0 HB3 SER A 141 -2.079 13.536 4.889 1.00 13.52 H new ATOM 0 HG SER A 141 -3.713 12.050 4.548 1.00 21.14 H new ATOM 2302 N ALA A 142 -5.057 12.530 7.731 1.00 53.14 N ATOM 2303 CA ALA A 142 -6.390 12.636 8.342 1.00 33.40 C ATOM 2304 C ALA A 142 -6.327 12.737 9.875 1.00 24.14 C ATOM 2305 O ALA A 142 -7.226 13.303 10.502 1.00 71.35 O ATOM 2306 CB ALA A 142 -7.254 11.451 7.928 1.00 45.42 C ATOM 0 H ALA A 142 -4.802 11.584 7.446 1.00 53.14 H new ATOM 0 HA ALA A 142 -6.839 13.560 7.977 1.00 33.40 H new ATOM 0 HB1 ALA A 142 -8.239 11.541 8.387 1.00 45.42 H new ATOM 0 HB2 ALA A 142 -7.359 11.439 6.843 1.00 45.42 H new ATOM 0 HB3 ALA A 142 -6.783 10.525 8.258 1.00 45.42 H new ATOM 2312 N PHE A 143 -5.261 12.199 10.474 1.00 31.44 N ATOM 2313 CA PHE A 143 -5.109 12.191 11.940 1.00 0.20 C ATOM 2314 C PHE A 143 -5.300 13.579 12.580 1.00 24.11 C ATOM 2315 O PHE A 143 -5.712 13.679 13.739 1.00 2.21 O ATOM 2316 CB PHE A 143 -3.745 11.607 12.342 1.00 65.23 C ATOM 2317 CG PHE A 143 -3.777 10.117 12.574 1.00 33.35 C ATOM 2318 CD1 PHE A 143 -4.481 9.598 13.649 1.00 3.05 C ATOM 2319 CD2 PHE A 143 -3.104 9.241 11.735 1.00 52.10 C ATOM 2320 CE1 PHE A 143 -4.515 8.236 13.883 1.00 72.23 C ATOM 2321 CE2 PHE A 143 -3.137 7.878 11.963 1.00 23.44 C ATOM 2322 CZ PHE A 143 -3.842 7.375 13.039 1.00 34.21 C ATOM 0 H PHE A 143 -4.489 11.763 9.971 1.00 31.44 H new ATOM 0 HA PHE A 143 -5.907 11.555 12.324 1.00 0.20 H new ATOM 0 HB2 PHE A 143 -3.018 11.830 11.561 1.00 65.23 H new ATOM 0 HB3 PHE A 143 -3.400 12.101 13.250 1.00 65.23 H new ATOM 0 HD1 PHE A 143 -5.010 10.266 14.312 1.00 3.05 H new ATOM 0 HD2 PHE A 143 -2.548 9.628 10.894 1.00 52.10 H new ATOM 0 HE1 PHE A 143 -5.067 7.846 14.725 1.00 72.23 H new ATOM 0 HE2 PHE A 143 -2.612 7.207 11.300 1.00 23.44 H new ATOM 0 HZ PHE A 143 -3.867 6.311 13.220 1.00 34.21 H new ATOM 2332 N THR A 144 -5.010 14.644 11.836 1.00 3.23 N ATOM 2333 CA THR A 144 -5.185 16.009 12.357 1.00 12.24 C ATOM 2334 C THR A 144 -6.667 16.324 12.628 1.00 63.11 C ATOM 2335 O THR A 144 -7.001 17.032 13.581 1.00 31.32 O ATOM 2336 CB THR A 144 -4.602 17.077 11.395 1.00 5.53 C ATOM 2337 OG1 THR A 144 -4.761 18.394 11.951 1.00 61.03 O ATOM 2338 CG2 THR A 144 -5.270 17.015 10.026 1.00 74.24 C ATOM 0 H THR A 144 -4.656 14.596 10.880 1.00 3.23 H new ATOM 0 HA THR A 144 -4.634 16.050 13.297 1.00 12.24 H new ATOM 0 HB THR A 144 -3.541 16.863 11.270 1.00 5.53 H new ATOM 0 HG1 THR A 144 -4.387 19.057 11.334 1.00 61.03 H new ATOM 0 HG21 THR A 144 -4.839 17.776 9.376 1.00 74.24 H new ATOM 0 HG22 THR A 144 -5.110 16.030 9.587 1.00 74.24 H new ATOM 0 HG23 THR A 144 -6.340 17.194 10.135 1.00 74.24 H new ATOM 2346 N SER A 145 -7.551 15.767 11.799 1.00 51.41 N ATOM 2347 CA SER A 145 -9.003 15.973 11.938 1.00 32.13 C ATOM 2348 C SER A 145 -9.709 14.662 12.313 1.00 63.53 C ATOM 2349 O SER A 145 -10.891 14.472 12.022 1.00 40.13 O ATOM 2350 CB SER A 145 -9.596 16.522 10.628 1.00 3.15 C ATOM 2351 OG SER A 145 -8.982 17.746 10.244 1.00 54.40 O ATOM 0 H SER A 145 -7.290 15.165 11.018 1.00 51.41 H new ATOM 0 HA SER A 145 -9.163 16.698 12.736 1.00 32.13 H new ATOM 0 HB2 SER A 145 -9.468 15.786 9.834 1.00 3.15 H new ATOM 0 HB3 SER A 145 -10.668 16.676 10.750 1.00 3.15 H new ATOM 0 HG SER A 145 -9.382 18.064 9.408 1.00 54.40 H new ATOM 2357 N ALA A 146 -8.989 13.771 12.994 1.00 24.03 N ATOM 2358 CA ALA A 146 -9.518 12.445 13.351 1.00 34.53 C ATOM 2359 C ALA A 146 -10.469 12.487 14.564 1.00 43.33 C ATOM 2360 O ALA A 146 -10.588 11.510 15.304 1.00 42.41 O ATOM 2361 CB ALA A 146 -8.362 11.485 13.617 1.00 71.14 C ATOM 0 H ALA A 146 -8.035 13.939 13.312 1.00 24.03 H new ATOM 0 HA ALA A 146 -10.107 12.092 12.505 1.00 34.53 H new ATOM 0 HB1 ALA A 146 -8.757 10.504 13.881 1.00 71.14 H new ATOM 0 HB2 ALA A 146 -7.747 11.399 12.721 1.00 71.14 H new ATOM 0 HB3 ALA A 146 -7.755 11.865 14.439 1.00 71.14 H new ATOM 2367 N GLY A 147 -11.181 13.599 14.734 1.00 52.24 N ATOM 2368 CA GLY A 147 -12.054 13.778 15.893 1.00 23.11 C ATOM 2369 C GLY A 147 -13.164 12.731 16.004 1.00 32.44 C ATOM 2370 O GLY A 147 -13.472 12.263 17.102 1.00 3.32 O ATOM 0 H GLY A 147 -11.171 14.387 14.087 1.00 52.24 H new ATOM 0 HA2 GLY A 147 -11.449 13.748 16.799 1.00 23.11 H new ATOM 0 HA3 GLY A 147 -12.506 14.768 15.845 1.00 23.11 H new ATOM 2374 N LEU A 148 -13.762 12.356 14.871 1.00 2.20 N ATOM 2375 CA LEU A 148 -14.892 11.411 14.870 1.00 20.11 C ATOM 2376 C LEU A 148 -14.428 9.941 14.875 1.00 71.11 C ATOM 2377 O LEU A 148 -15.242 9.023 14.997 1.00 43.03 O ATOM 2378 CB LEU A 148 -15.832 11.707 13.681 1.00 51.12 C ATOM 2379 CG LEU A 148 -15.199 11.661 12.273 1.00 23.44 C ATOM 2380 CD1 LEU A 148 -15.149 10.233 11.733 1.00 42.23 C ATOM 2381 CD2 LEU A 148 -15.953 12.577 11.309 1.00 72.42 C ATOM 0 H LEU A 148 -13.488 12.687 13.946 1.00 2.20 H new ATOM 0 HA LEU A 148 -15.448 11.557 15.796 1.00 20.11 H new ATOM 0 HB2 LEU A 148 -16.653 10.991 13.709 1.00 51.12 H new ATOM 0 HB3 LEU A 148 -16.266 12.696 13.828 1.00 51.12 H new ATOM 0 HG LEU A 148 -14.174 12.021 12.358 1.00 23.44 H new ATOM 0 HD11 LEU A 148 -14.698 10.235 10.741 1.00 42.23 H new ATOM 0 HD12 LEU A 148 -14.553 9.612 12.401 1.00 42.23 H new ATOM 0 HD13 LEU A 148 -16.161 9.832 11.671 1.00 42.23 H new ATOM 0 HD21 LEU A 148 -15.490 12.529 10.324 1.00 72.42 H new ATOM 0 HD22 LEU A 148 -16.992 12.254 11.238 1.00 72.42 H new ATOM 0 HD23 LEU A 148 -15.916 13.602 11.677 1.00 72.42 H new ATOM 2393 N GLU A 149 -13.124 9.717 14.732 1.00 1.22 N ATOM 2394 CA GLU A 149 -12.549 8.367 14.848 1.00 62.22 C ATOM 2395 C GLU A 149 -11.786 8.205 16.175 1.00 73.11 C ATOM 2396 O GLU A 149 -11.567 7.091 16.656 1.00 53.21 O ATOM 2397 CB GLU A 149 -11.632 8.078 13.653 1.00 42.32 C ATOM 2398 CG GLU A 149 -12.373 8.060 12.319 1.00 22.22 C ATOM 2399 CD GLU A 149 -11.455 7.860 11.125 1.00 50.21 C ATOM 2400 OE1 GLU A 149 -10.650 8.770 10.836 1.00 44.13 O ATOM 2401 OE2 GLU A 149 -11.543 6.801 10.466 1.00 50.20 O ATOM 0 H GLU A 149 -12.441 10.448 14.536 1.00 1.22 H new ATOM 0 HA GLU A 149 -13.364 7.644 14.843 1.00 62.22 H new ATOM 0 HB2 GLU A 149 -10.846 8.833 13.615 1.00 42.32 H new ATOM 0 HB3 GLU A 149 -11.143 7.116 13.803 1.00 42.32 H new ATOM 0 HG2 GLU A 149 -13.116 7.263 12.335 1.00 22.22 H new ATOM 0 HG3 GLU A 149 -12.914 8.998 12.199 1.00 22.22 H new ATOM 2408 N HIS A 150 -11.385 9.331 16.759 1.00 54.13 N ATOM 2409 CA HIS A 150 -10.734 9.345 18.071 1.00 4.24 C ATOM 2410 C HIS A 150 -11.735 9.021 19.190 1.00 24.33 C ATOM 2411 O HIS A 150 -12.513 9.882 19.606 1.00 42.32 O ATOM 2412 CB HIS A 150 -10.094 10.722 18.320 1.00 64.31 C ATOM 2413 CG HIS A 150 -9.591 10.920 19.721 1.00 71.22 C ATOM 2414 ND1 HIS A 150 -10.407 11.310 20.764 1.00 63.12 N ATOM 2415 CD2 HIS A 150 -8.353 10.788 20.252 1.00 3.43 C ATOM 2416 CE1 HIS A 150 -9.696 11.410 21.867 1.00 15.24 C ATOM 2417 NE2 HIS A 150 -8.448 11.095 21.587 1.00 53.34 N ATOM 0 H HIS A 150 -11.500 10.255 16.342 1.00 54.13 H new ATOM 0 HA HIS A 150 -9.960 8.578 18.077 1.00 4.24 H new ATOM 0 HB2 HIS A 150 -9.265 10.856 17.625 1.00 64.31 H new ATOM 0 HB3 HIS A 150 -10.827 11.497 18.095 1.00 64.31 H new ATOM 0 HD1 HIS A 150 -11.408 11.493 20.691 1.00 63.12 H new ATOM 0 HD2 HIS A 150 -7.457 10.496 19.724 1.00 3.43 H new ATOM 0 HE1 HIS A 150 -10.072 11.701 22.837 1.00 15.24 H new ATOM 2426 N HIS A 151 -11.714 7.780 19.681 1.00 33.01 N ATOM 2427 CA HIS A 151 -12.585 7.383 20.791 1.00 44.31 C ATOM 2428 C HIS A 151 -12.296 8.217 22.047 1.00 65.13 C ATOM 2429 O HIS A 151 -11.176 8.692 22.251 1.00 3.52 O ATOM 2430 CB HIS A 151 -12.435 5.886 21.094 1.00 51.43 C ATOM 2431 CG HIS A 151 -12.931 4.999 19.991 1.00 71.11 C ATOM 2432 ND1 HIS A 151 -12.110 4.166 19.260 1.00 61.32 N ATOM 2433 CD2 HIS A 151 -14.181 4.806 19.502 1.00 61.20 C ATOM 2434 CE1 HIS A 151 -12.827 3.507 18.372 1.00 13.31 C ATOM 2435 NE2 HIS A 151 -14.083 3.876 18.499 1.00 21.21 N ATOM 0 H HIS A 151 -11.109 7.037 19.331 1.00 33.01 H new ATOM 0 HA HIS A 151 -13.615 7.572 20.489 1.00 44.31 H new ATOM 0 HB2 HIS A 151 -11.384 5.665 21.282 1.00 51.43 H new ATOM 0 HB3 HIS A 151 -12.979 5.653 22.009 1.00 51.43 H new ATOM 0 HD2 HIS A 151 -15.084 5.293 19.839 1.00 61.20 H new ATOM 0 HE1 HIS A 151 -12.448 2.787 17.662 1.00 13.31 H new ATOM 0 HE2 HIS A 151 -14.861 3.526 17.940 1.00 21.21 H new ATOM 2444 N HIS A 152 -13.309 8.373 22.893 1.00 63.12 N ATOM 2445 CA HIS A 152 -13.233 9.283 24.042 1.00 53.20 C ATOM 2446 C HIS A 152 -12.231 8.812 25.114 1.00 33.11 C ATOM 2447 O HIS A 152 -11.574 9.634 25.757 1.00 23.21 O ATOM 2448 CB HIS A 152 -14.624 9.458 24.661 1.00 12.54 C ATOM 2449 CG HIS A 152 -15.653 9.940 23.686 1.00 63.30 C ATOM 2450 ND1 HIS A 152 -15.760 11.255 23.290 1.00 4.14 N ATOM 2451 CD2 HIS A 152 -16.621 9.273 23.015 1.00 52.23 C ATOM 2452 CE1 HIS A 152 -16.743 11.374 22.421 1.00 51.44 C ATOM 2453 NE2 HIS A 152 -17.282 10.187 22.238 1.00 31.12 N ATOM 0 H HIS A 152 -14.198 7.881 22.808 1.00 63.12 H new ATOM 0 HA HIS A 152 -12.868 10.240 23.669 1.00 53.20 H new ATOM 0 HB2 HIS A 152 -14.949 8.506 25.080 1.00 12.54 H new ATOM 0 HB3 HIS A 152 -14.559 10.165 25.488 1.00 12.54 H new ATOM 0 HD2 HIS A 152 -16.833 8.216 23.080 1.00 52.23 H new ATOM 0 HE1 HIS A 152 -17.054 12.290 21.940 1.00 51.44 H new ATOM 0 HE2 HIS A 152 -18.065 9.981 21.618 1.00 31.12 H new ATOM 2462 N HIS A 153 -12.122 7.498 25.311 1.00 74.34 N ATOM 2463 CA HIS A 153 -11.199 6.933 26.305 1.00 42.12 C ATOM 2464 C HIS A 153 -10.896 5.452 26.019 1.00 15.35 C ATOM 2465 O HIS A 153 -11.783 4.684 25.653 1.00 3.52 O ATOM 2466 CB HIS A 153 -11.784 7.090 27.716 1.00 34.41 C ATOM 2467 CG HIS A 153 -10.905 6.557 28.811 1.00 71.43 C ATOM 2468 ND1 HIS A 153 -9.769 7.201 29.254 1.00 62.45 N ATOM 2469 CD2 HIS A 153 -11.008 5.434 29.559 1.00 74.25 C ATOM 2470 CE1 HIS A 153 -9.215 6.500 30.222 1.00 32.43 C ATOM 2471 NE2 HIS A 153 -9.946 5.423 30.429 1.00 54.21 N ATOM 0 H HIS A 153 -12.661 6.801 24.796 1.00 74.34 H new ATOM 0 HA HIS A 153 -10.260 7.483 26.240 1.00 42.12 H new ATOM 0 HB2 HIS A 153 -11.976 8.147 27.902 1.00 34.41 H new ATOM 0 HB3 HIS A 153 -12.746 6.579 27.757 1.00 34.41 H new ATOM 0 HD2 HIS A 153 -11.782 4.685 29.485 1.00 74.25 H new ATOM 0 HE1 HIS A 153 -8.314 6.763 30.756 1.00 32.43 H new ATOM 0 HE2 HIS A 153 -9.754 4.700 31.122 1.00 54.21 H new ATOM 2480 N HIS A 154 -9.633 5.062 26.199 1.00 71.14 N ATOM 2481 CA HIS A 154 -9.210 3.664 26.022 1.00 23.23 C ATOM 2482 C HIS A 154 -7.987 3.354 26.900 1.00 64.33 C ATOM 2483 O HIS A 154 -7.583 4.177 27.721 1.00 23.42 O ATOM 2484 CB HIS A 154 -8.892 3.369 24.540 1.00 52.44 C ATOM 2485 CG HIS A 154 -7.716 4.132 23.993 1.00 51.31 C ATOM 2486 ND1 HIS A 154 -7.838 5.142 23.063 1.00 21.40 N ATOM 2487 CD2 HIS A 154 -6.385 4.015 24.236 1.00 63.12 C ATOM 2488 CE1 HIS A 154 -6.641 5.608 22.761 1.00 21.54 C ATOM 2489 NE2 HIS A 154 -5.745 4.944 23.459 1.00 14.04 N ATOM 0 H HIS A 154 -8.879 5.694 26.468 1.00 71.14 H new ATOM 0 HA HIS A 154 -10.034 3.021 26.331 1.00 23.23 H new ATOM 0 HB2 HIS A 154 -8.701 2.302 24.427 1.00 52.44 H new ATOM 0 HB3 HIS A 154 -9.771 3.601 23.939 1.00 52.44 H new ATOM 0 HD2 HIS A 154 -5.918 3.318 24.916 1.00 63.12 H new ATOM 0 HE1 HIS A 154 -6.432 6.401 22.059 1.00 21.54 H new ATOM 0 HE2 HIS A 154 -4.737 5.096 23.427 1.00 14.04 H new ATOM 2498 N HIS A 155 -7.407 2.168 26.725 1.00 43.33 N ATOM 2499 CA HIS A 155 -6.164 1.794 27.423 1.00 55.44 C ATOM 2500 C HIS A 155 -5.264 0.891 26.546 1.00 41.35 C ATOM 2501 O HIS A 155 -4.543 1.433 25.676 1.00 38.05 O ATOM 2502 CB HIS A 155 -6.491 1.127 28.774 1.00 11.21 C ATOM 2503 CG HIS A 155 -7.645 0.166 28.725 1.00 54.44 C ATOM 2504 ND1 HIS A 155 -8.895 0.475 29.213 1.00 4.00 N ATOM 2505 CD2 HIS A 155 -7.738 -1.099 28.249 1.00 42.20 C ATOM 2506 CE1 HIS A 155 -9.702 -0.551 29.040 1.00 61.40 C ATOM 2507 NE2 HIS A 155 -9.026 -1.518 28.457 1.00 14.42 N ATOM 2508 OXT HIS A 155 -5.274 -0.347 26.727 1.00 38.05 O ATOM 0 H HIS A 155 -7.773 1.444 26.107 1.00 43.33 H new ATOM 0 HA HIS A 155 -5.598 2.705 27.619 1.00 55.44 H new ATOM 0 HB2 HIS A 155 -5.607 0.597 29.128 1.00 11.21 H new ATOM 0 HB3 HIS A 155 -6.711 1.904 29.506 1.00 11.21 H new ATOM 0 HD2 HIS A 155 -6.945 -1.671 27.791 1.00 42.20 H new ATOM 0 HE1 HIS A 155 -10.742 -0.592 29.328 1.00 61.40 H new ATOM 0 HE2 HIS A 155 -9.400 -2.432 28.201 1.00 14.42 H new TER 2517 HIS A 155