USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 58 TYR OH : rot -105:sc= 0.288 USER MOD Set 1.2: B 62 HIS : no HE2:sc= 0.121 K(o=0.41,f=-0.15) USER MOD Set 2.1: B 31 TYR OH : rot 180:sc= 0.416 USER MOD Set 2.2: B 35 LYS NZ :NH3+ 178:sc= 0.447 (180deg=0) USER MOD Set 3.1: B 22 TYR OH : rot 112:sc= 0.211 USER MOD Set 3.2: B 52 GLN :FLIP amide:sc= -5.42! C(o=-5.9!,f=-5.2!) USER MOD Set 4.1: B 19 LYS NZ :NH3+ -128:sc= -2.35 (180deg=-5.09!) USER MOD Set 4.2: B 45 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 62 HIS : no HD1:sc= -5.01! C(o=-5!,f=-7.5!) USER MOD Set 6.1: A 22 TYR OH : rot 102:sc= 0.0388 USER MOD Set 6.2: A 52 GLN :FLIP amide:sc= -5.05! C(o=-6.5!,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.569 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -62:sc= -0.444 USER MOD Single : A 14 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.0366 (180deg=-0.283) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.052 (180deg=-0.449) USER MOD Single : A 27 MET CE :methyl -109:sc= -0.028 (180deg=-2.42!) USER MOD Single : A 30 MET CE :methyl -153:sc= -0.147 (180deg=-2.83) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= -0.0918 (180deg=-0.0918) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.247 F(o=-0.9,f=-0.25) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : A 59 SER OG : rot 60:sc= 1.23 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.2 F(o=-6.6!,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.67) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.396 K(o=-0.4,f=-2.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 17:sc= -0.0898 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 CYS SG : rot -26:sc= 0.931 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.329 USER MOD Single : B 6 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -56:sc= -1.29 USER MOD Single : B 14 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl -104:sc= -0.0354 (180deg=-3.48!) USER MOD Single : B 30 MET CE :methyl -167:sc= -0.0454 (180deg=-0.733) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : B 59 SER OG : rot 69:sc= 1.25 USER MOD Single : B 61 GLN :FLIP amide:sc= -0.205 F(o=-0.92,f=-0.2) USER MOD Single : B 63 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 THR OG1 : rot -71:sc= 0.733 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 CYS SG : rot -54:sc=-0.00574 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.309 21.607 38.571 1.00 6.58 N ATOM 2 CA GLY A 1 49.608 20.127 38.319 1.00 5.97 C ATOM 3 C GLY A 1 48.906 19.409 37.219 1.00 5.09 C ATOM 4 O GLY A 1 49.267 18.308 36.854 1.00 5.27 O ATOM 0 H1 GLY A 1 49.882 21.946 39.370 1.00 6.58 H new ATOM 0 H2 GLY A 1 49.541 22.158 37.720 1.00 6.58 H new ATOM 0 H3 GLY A 1 48.300 21.724 38.795 1.00 6.58 H new ATOM 0 HA2 GLY A 1 50.679 20.038 38.135 1.00 5.97 H new ATOM 0 HA3 GLY A 1 49.398 19.590 39.244 1.00 5.97 H new ATOM 10 N SER A 2 47.888 20.008 36.661 1.00 4.50 N ATOM 11 CA SER A 2 47.147 19.339 35.555 1.00 3.95 C ATOM 12 C SER A 2 48.041 19.316 34.300 1.00 3.15 C ATOM 13 O SER A 2 49.043 20.000 34.261 1.00 3.20 O ATOM 14 CB SER A 2 45.848 20.123 35.278 1.00 4.48 C ATOM 15 OG SER A 2 45.850 20.608 33.940 1.00 5.04 O ATOM 0 H SER A 2 47.539 20.930 36.923 1.00 4.50 H new ATOM 0 HA SER A 2 46.891 18.315 35.828 1.00 3.95 H new ATOM 0 HB2 SER A 2 44.983 19.479 35.439 1.00 4.48 H new ATOM 0 HB3 SER A 2 45.760 20.956 35.976 1.00 4.48 H new ATOM 0 HG SER A 2 45.022 21.104 33.770 1.00 5.04 H new ATOM 21 N PRO A 3 47.662 18.537 33.305 1.00 2.92 N ATOM 22 CA PRO A 3 48.446 18.450 32.055 1.00 2.64 C ATOM 23 C PRO A 3 48.415 19.800 31.318 1.00 2.05 C ATOM 24 O PRO A 3 49.239 20.069 30.465 1.00 2.43 O ATOM 25 CB PRO A 3 47.743 17.349 31.224 1.00 3.31 C ATOM 26 CG PRO A 3 46.421 16.987 31.959 1.00 3.84 C ATOM 27 CD PRO A 3 46.450 17.686 33.337 1.00 3.57 C ATOM 0 HA PRO A 3 49.495 18.215 32.233 1.00 2.64 H new ATOM 0 HB2 PRO A 3 47.536 17.703 30.214 1.00 3.31 H new ATOM 0 HB3 PRO A 3 48.383 16.472 31.130 1.00 3.31 H new ATOM 0 HG2 PRO A 3 45.558 17.316 31.380 1.00 3.84 H new ATOM 0 HG3 PRO A 3 46.332 15.907 32.078 1.00 3.84 H new ATOM 0 HD2 PRO A 3 45.552 18.283 33.497 1.00 3.57 H new ATOM 0 HD3 PRO A 3 46.498 16.959 34.148 1.00 3.57 H new ATOM 35 N LEU A 4 47.466 20.641 31.630 1.00 1.82 N ATOM 36 CA LEU A 4 47.379 21.959 30.938 1.00 1.56 C ATOM 37 C LEU A 4 47.384 21.735 29.424 1.00 1.26 C ATOM 38 O LEU A 4 48.031 22.448 28.683 1.00 1.39 O ATOM 39 CB LEU A 4 48.574 22.833 31.326 1.00 2.02 C ATOM 40 CG LEU A 4 48.596 23.051 32.845 1.00 2.71 C ATOM 41 CD1 LEU A 4 49.878 23.796 33.227 1.00 3.37 C ATOM 42 CD2 LEU A 4 47.370 23.873 33.281 1.00 3.27 C ATOM 0 H LEU A 4 46.747 20.472 32.334 1.00 1.82 H new ATOM 0 HA LEU A 4 46.458 22.461 31.235 1.00 1.56 H new ATOM 0 HB2 LEU A 4 49.501 22.358 31.005 1.00 2.02 H new ATOM 0 HB3 LEU A 4 48.514 23.793 30.814 1.00 2.02 H new ATOM 0 HG LEU A 4 48.567 22.084 33.348 1.00 2.71 H new ATOM 0 HD11 LEU A 4 49.899 23.954 34.305 1.00 3.37 H new ATOM 0 HD12 LEU A 4 50.744 23.205 32.929 1.00 3.37 H new ATOM 0 HD13 LEU A 4 49.904 24.760 32.719 1.00 3.37 H new ATOM 0 HD21 LEU A 4 47.397 24.021 34.361 1.00 3.27 H new ATOM 0 HD22 LEU A 4 47.385 24.842 32.781 1.00 3.27 H new ATOM 0 HD23 LEU A 4 46.459 23.339 33.010 1.00 3.27 H new ATOM 54 N GLY A 5 46.665 20.750 28.960 1.00 1.15 N ATOM 55 CA GLY A 5 46.625 20.479 27.494 1.00 1.08 C ATOM 56 C GLY A 5 45.624 21.425 26.828 1.00 0.85 C ATOM 57 O GLY A 5 45.662 21.645 25.634 1.00 0.91 O ATOM 0 H GLY A 5 46.103 20.120 29.533 1.00 1.15 H new ATOM 0 HA2 GLY A 5 47.616 20.617 27.061 1.00 1.08 H new ATOM 0 HA3 GLY A 5 46.339 19.443 27.312 1.00 1.08 H new ATOM 61 N GLN A 6 44.728 21.986 27.593 1.00 0.75 N ATOM 62 CA GLN A 6 43.723 22.918 27.008 1.00 0.73 C ATOM 63 C GLN A 6 44.431 23.944 26.119 1.00 0.58 C ATOM 64 O GLN A 6 43.814 24.608 25.310 1.00 0.62 O ATOM 65 CB GLN A 6 42.987 23.643 28.136 1.00 0.91 C ATOM 66 CG GLN A 6 41.923 24.567 27.542 1.00 1.13 C ATOM 67 CD GLN A 6 41.012 25.080 28.659 1.00 1.99 C ATOM 68 OE1 GLN A 6 39.896 24.624 28.807 1.00 2.72 O ATOM 69 NE2 GLN A 6 41.445 26.017 29.458 1.00 2.62 N ATOM 0 H GLN A 6 44.648 21.839 28.599 1.00 0.75 H new ATOM 0 HA GLN A 6 43.009 22.353 26.409 1.00 0.73 H new ATOM 0 HB2 GLN A 6 42.522 22.919 28.805 1.00 0.91 H new ATOM 0 HB3 GLN A 6 43.693 24.221 28.733 1.00 0.91 H new ATOM 0 HG2 GLN A 6 42.398 25.405 27.032 1.00 1.13 H new ATOM 0 HG3 GLN A 6 41.336 24.031 26.796 1.00 1.13 H new ATOM 0 HE21 GLN A 6 42.382 26.400 29.334 1.00 2.62 H new ATOM 0 HE22 GLN A 6 40.846 26.366 30.206 1.00 2.62 H new ATOM 78 N ASP A 7 45.720 24.081 26.265 1.00 0.55 N ATOM 79 CA ASP A 7 46.465 25.064 25.432 1.00 0.53 C ATOM 80 C ASP A 7 46.463 24.605 23.972 1.00 0.43 C ATOM 81 O ASP A 7 46.057 25.328 23.085 1.00 0.48 O ATOM 82 CB ASP A 7 47.906 25.164 25.941 1.00 0.67 C ATOM 83 CG ASP A 7 47.943 26.009 27.217 1.00 1.37 C ATOM 84 OD1 ASP A 7 46.886 26.243 27.778 1.00 1.94 O ATOM 85 OD2 ASP A 7 49.028 26.407 27.609 1.00 2.11 O ATOM 0 H ASP A 7 46.290 23.553 26.926 1.00 0.55 H new ATOM 0 HA ASP A 7 45.986 26.041 25.500 1.00 0.53 H new ATOM 0 HB2 ASP A 7 48.302 24.168 26.141 1.00 0.67 H new ATOM 0 HB3 ASP A 7 48.542 25.612 25.177 1.00 0.67 H new ATOM 90 N VAL A 8 46.913 23.409 23.717 1.00 0.38 N ATOM 91 CA VAL A 8 46.934 22.908 22.313 1.00 0.43 C ATOM 92 C VAL A 8 45.511 22.909 21.757 1.00 0.40 C ATOM 93 O VAL A 8 45.298 22.965 20.563 1.00 0.55 O ATOM 94 CB VAL A 8 47.494 21.486 22.280 1.00 0.52 C ATOM 95 CG1 VAL A 8 47.851 21.115 20.839 1.00 1.02 C ATOM 96 CG2 VAL A 8 48.750 21.416 23.151 1.00 1.23 C ATOM 0 H VAL A 8 47.267 22.757 24.417 1.00 0.38 H new ATOM 0 HA VAL A 8 47.566 23.556 21.706 1.00 0.43 H new ATOM 0 HB VAL A 8 46.747 20.789 22.661 1.00 0.52 H new ATOM 0 HG11 VAL A 8 48.251 20.101 20.813 1.00 1.02 H new ATOM 0 HG12 VAL A 8 46.957 21.169 20.217 1.00 1.02 H new ATOM 0 HG13 VAL A 8 48.600 21.810 20.459 1.00 1.02 H new ATOM 0 HG21 VAL A 8 49.152 20.403 23.129 1.00 1.23 H new ATOM 0 HG22 VAL A 8 49.497 22.111 22.768 1.00 1.23 H new ATOM 0 HG23 VAL A 8 48.497 21.684 24.177 1.00 1.23 H new ATOM 106 N PHE A 9 44.533 22.853 22.614 1.00 0.27 N ATOM 107 CA PHE A 9 43.126 22.859 22.133 1.00 0.25 C ATOM 108 C PHE A 9 42.845 24.201 21.457 1.00 0.25 C ATOM 109 O PHE A 9 42.152 24.274 20.462 1.00 0.36 O ATOM 110 CB PHE A 9 42.183 22.656 23.325 1.00 0.23 C ATOM 111 CG PHE A 9 40.846 22.163 22.833 1.00 0.19 C ATOM 112 CD1 PHE A 9 39.869 23.078 22.434 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.590 20.789 22.769 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.634 22.620 21.971 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.353 20.331 22.303 1.00 0.19 C ATOM 116 CZ PHE A 9 38.376 21.249 21.904 1.00 0.20 C ATOM 0 H PHE A 9 44.647 22.803 23.626 1.00 0.27 H new ATOM 0 HA PHE A 9 42.966 22.053 21.417 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.612 21.938 24.023 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.059 23.593 23.868 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.069 24.138 22.484 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.346 20.083 23.079 1.00 0.19 H new ATOM 0 HE1 PHE A 9 37.877 23.327 21.664 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.153 19.271 22.251 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.421 20.897 21.544 1.00 0.20 H new ATOM 126 N LEU A 10 43.391 25.263 21.983 1.00 0.21 N ATOM 127 CA LEU A 10 43.171 26.595 21.361 1.00 0.21 C ATOM 128 C LEU A 10 43.979 26.668 20.065 1.00 0.22 C ATOM 129 O LEU A 10 43.616 27.355 19.131 1.00 0.27 O ATOM 130 CB LEU A 10 43.636 27.698 22.314 1.00 0.24 C ATOM 131 CG LEU A 10 42.998 27.501 23.694 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.616 28.492 24.680 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.484 27.741 23.612 1.00 0.28 C ATOM 0 H LEU A 10 43.979 25.264 22.816 1.00 0.21 H new ATOM 0 HA LEU A 10 42.110 26.733 21.151 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.722 27.681 22.401 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.363 28.675 21.914 1.00 0.24 H new ATOM 0 HG LEU A 10 43.179 26.480 24.031 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.165 28.356 25.663 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.690 28.318 24.746 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.434 29.510 24.335 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.039 27.599 24.597 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.295 28.759 23.272 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.041 27.036 22.909 1.00 0.28 H new ATOM 145 N ASP A 11 45.073 25.956 20.001 1.00 0.21 N ATOM 146 CA ASP A 11 45.904 25.976 18.765 1.00 0.23 C ATOM 147 C ASP A 11 45.089 25.407 17.602 1.00 0.20 C ATOM 148 O ASP A 11 44.902 26.052 16.591 1.00 0.29 O ATOM 149 CB ASP A 11 47.165 25.130 18.971 1.00 0.27 C ATOM 150 CG ASP A 11 48.085 25.821 19.979 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.612 26.703 20.677 1.00 1.64 O ATOM 152 OD2 ASP A 11 49.248 25.457 20.035 1.00 1.92 O ATOM 0 H ASP A 11 45.426 25.362 20.752 1.00 0.21 H new ATOM 0 HA ASP A 11 46.197 27.002 18.542 1.00 0.23 H new ATOM 0 HB2 ASP A 11 46.895 24.137 19.331 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.684 24.995 18.022 1.00 0.27 H new ATOM 157 N TYR A 12 44.598 24.202 17.735 1.00 0.14 N ATOM 158 CA TYR A 12 43.796 23.605 16.633 1.00 0.12 C ATOM 159 C TYR A 12 42.731 24.605 16.184 1.00 0.11 C ATOM 160 O TYR A 12 42.646 24.964 15.027 1.00 0.15 O ATOM 161 CB TYR A 12 43.117 22.318 17.125 1.00 0.12 C ATOM 162 CG TYR A 12 44.163 21.245 17.368 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.948 20.774 16.308 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.346 20.720 18.654 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.912 19.784 16.534 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.309 19.730 18.879 1.00 0.27 C ATOM 167 CZ TYR A 12 46.092 19.262 17.819 1.00 0.30 C ATOM 168 OH TYR A 12 47.043 18.287 18.042 1.00 0.37 O ATOM 0 H TYR A 12 44.719 23.610 18.557 1.00 0.14 H new ATOM 0 HA TYR A 12 44.451 23.367 15.795 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.565 22.516 18.044 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.393 21.973 16.387 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.810 21.175 15.315 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.742 21.080 19.474 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.517 19.423 15.715 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.448 19.327 19.871 1.00 0.27 H new ATOM 0 HH TYR A 12 47.038 18.036 18.989 1.00 0.37 H new ATOM 178 N CYS A 13 41.924 25.062 17.097 1.00 0.12 N ATOM 179 CA CYS A 13 40.866 26.046 16.742 1.00 0.15 C ATOM 180 C CYS A 13 41.472 27.150 15.874 1.00 0.16 C ATOM 181 O CYS A 13 40.911 27.542 14.870 1.00 0.19 O ATOM 182 CB CYS A 13 40.297 26.655 18.023 1.00 0.19 C ATOM 183 SG CYS A 13 39.346 25.401 18.916 1.00 1.38 S ATOM 0 H CYS A 13 41.952 24.795 18.081 1.00 0.12 H new ATOM 0 HA CYS A 13 40.069 25.548 16.190 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.106 27.029 18.651 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.660 27.506 17.782 1.00 0.19 H new ATOM 0 HG CYS A 13 38.350 25.006 18.180 1.00 1.38 H new ATOM 189 N GLN A 14 42.619 27.646 16.249 1.00 0.17 N ATOM 190 CA GLN A 14 43.269 28.716 15.440 1.00 0.21 C ATOM 191 C GLN A 14 43.262 28.302 13.966 1.00 0.21 C ATOM 192 O GLN A 14 43.045 29.111 13.086 1.00 0.28 O ATOM 193 CB GLN A 14 44.713 28.912 15.913 1.00 0.25 C ATOM 194 CG GLN A 14 45.247 30.246 15.386 1.00 0.64 C ATOM 195 CD GLN A 14 46.759 30.312 15.605 1.00 0.78 C ATOM 196 OE1 GLN A 14 47.444 29.314 15.500 1.00 1.68 O ATOM 197 NE2 GLN A 14 47.313 31.454 15.907 1.00 1.31 N ATOM 0 H GLN A 14 43.134 27.357 17.080 1.00 0.17 H new ATOM 0 HA GLN A 14 42.723 29.652 15.561 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.755 28.896 17.002 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.338 28.092 15.558 1.00 0.25 H new ATOM 0 HG2 GLN A 14 45.018 30.348 14.325 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.758 31.074 15.899 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.738 32.292 15.995 1.00 1.31 H new ATOM 0 HE22 GLN A 14 48.321 31.509 16.055 1.00 1.31 H new ATOM 206 N LYS A 15 43.488 27.044 13.692 1.00 0.20 N ATOM 207 CA LYS A 15 43.481 26.583 12.277 1.00 0.22 C ATOM 208 C LYS A 15 42.035 26.549 11.778 1.00 0.19 C ATOM 209 O LYS A 15 41.680 27.213 10.825 1.00 0.22 O ATOM 210 CB LYS A 15 44.106 25.186 12.184 1.00 0.25 C ATOM 211 CG LYS A 15 45.624 25.300 12.389 1.00 0.57 C ATOM 212 CD LYS A 15 46.325 23.968 12.060 1.00 1.16 C ATOM 213 CE LYS A 15 46.303 23.046 13.280 1.00 1.52 C ATOM 214 NZ LYS A 15 47.269 23.547 14.298 1.00 2.24 N ATOM 0 H LYS A 15 43.676 26.320 14.385 1.00 0.20 H new ATOM 0 HA LYS A 15 44.064 27.266 11.659 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.673 24.529 12.939 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.890 24.741 11.213 1.00 0.25 H new ATOM 0 HG2 LYS A 15 46.022 26.092 11.754 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.836 25.582 13.420 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.827 23.484 11.220 1.00 1.16 H new ATOM 0 HD3 LYS A 15 47.355 24.156 11.755 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.299 23.009 13.703 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.563 22.029 12.986 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.563 22.762 14.914 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 48.103 23.943 13.820 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.816 24.286 14.872 1.00 2.24 H new ATOM 228 N LEU A 16 41.192 25.796 12.429 1.00 0.15 N ATOM 229 CA LEU A 16 39.764 25.732 12.015 1.00 0.13 C ATOM 230 C LEU A 16 39.239 27.158 11.793 1.00 0.13 C ATOM 231 O LEU A 16 38.286 27.380 11.075 1.00 0.17 O ATOM 232 CB LEU A 16 38.973 25.046 13.151 1.00 0.11 C ATOM 233 CG LEU A 16 37.858 24.142 12.595 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.456 22.857 12.005 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.902 23.778 13.737 1.00 0.17 C ATOM 0 H LEU A 16 41.434 25.219 13.235 1.00 0.15 H new ATOM 0 HA LEU A 16 39.651 25.169 11.088 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.653 24.453 13.763 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.538 25.804 13.802 1.00 0.11 H new ATOM 0 HG LEU A 16 37.323 24.673 11.808 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.655 22.228 11.616 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.142 23.112 11.197 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.996 22.317 12.782 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.107 23.137 13.356 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.451 23.250 14.517 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.467 24.688 14.152 1.00 0.17 H new ATOM 247 N LEU A 17 39.848 28.119 12.430 1.00 0.12 N ATOM 248 CA LEU A 17 39.389 29.528 12.291 1.00 0.13 C ATOM 249 C LEU A 17 39.985 30.178 11.036 1.00 0.15 C ATOM 250 O LEU A 17 39.268 30.640 10.171 1.00 0.22 O ATOM 251 CB LEU A 17 39.831 30.310 13.534 1.00 0.12 C ATOM 252 CG LEU A 17 39.001 31.604 13.675 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.694 31.308 14.422 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.789 32.653 14.469 1.00 0.13 C ATOM 0 H LEU A 17 40.650 27.987 13.046 1.00 0.12 H new ATOM 0 HA LEU A 17 38.303 29.542 12.197 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.708 29.692 14.424 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.890 30.555 13.460 1.00 0.12 H new ATOM 0 HG LEU A 17 38.783 31.983 12.677 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.114 32.226 14.518 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.116 30.570 13.866 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.922 30.918 15.414 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.194 33.561 14.562 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.015 32.264 15.462 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.719 32.880 13.948 1.00 0.13 H new ATOM 266 N GLU A 18 41.285 30.238 10.934 1.00 0.20 N ATOM 267 CA GLU A 18 41.901 30.881 9.742 1.00 0.25 C ATOM 268 C GLU A 18 41.536 30.097 8.480 1.00 0.21 C ATOM 269 O GLU A 18 41.319 30.665 7.428 1.00 0.25 O ATOM 270 CB GLU A 18 43.418 30.920 9.920 1.00 0.32 C ATOM 271 CG GLU A 18 44.004 29.503 9.795 1.00 1.41 C ATOM 272 CD GLU A 18 44.382 29.212 8.337 1.00 2.13 C ATOM 273 OE1 GLU A 18 44.965 30.082 7.712 1.00 2.77 O ATOM 274 OE2 GLU A 18 44.080 28.124 7.874 1.00 2.62 O ATOM 0 H GLU A 18 41.943 29.871 11.622 1.00 0.20 H new ATOM 0 HA GLU A 18 41.524 31.899 9.639 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.863 31.573 9.169 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.666 31.340 10.895 1.00 0.32 H new ATOM 0 HG2 GLU A 18 44.883 29.408 10.432 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.277 28.769 10.143 1.00 1.41 H new ATOM 281 N LYS A 19 41.460 28.799 8.575 1.00 0.20 N ATOM 282 CA LYS A 19 41.102 27.990 7.380 1.00 0.20 C ATOM 283 C LYS A 19 39.764 28.488 6.835 1.00 0.18 C ATOM 284 O LYS A 19 39.634 28.796 5.667 1.00 0.24 O ATOM 285 CB LYS A 19 40.997 26.518 7.784 1.00 0.22 C ATOM 286 CG LYS A 19 41.042 25.630 6.541 1.00 0.30 C ATOM 287 CD LYS A 19 40.754 24.185 6.950 1.00 0.37 C ATOM 288 CE LYS A 19 40.911 23.265 5.739 1.00 0.92 C ATOM 289 NZ LYS A 19 39.945 23.669 4.680 1.00 1.77 N ATOM 0 H LYS A 19 41.630 28.265 9.427 1.00 0.20 H new ATOM 0 HA LYS A 19 41.865 28.090 6.608 1.00 0.20 H new ATOM 0 HB2 LYS A 19 41.814 26.258 8.457 1.00 0.22 H new ATOM 0 HB3 LYS A 19 40.069 26.347 8.329 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.307 25.968 5.810 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.020 25.699 6.065 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.437 23.878 7.743 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.744 24.105 7.351 1.00 0.37 H new ATOM 0 HE2 LYS A 19 41.930 23.320 5.357 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.736 22.229 6.030 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 39.841 22.896 3.992 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.021 23.874 5.112 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 40.297 24.520 4.196 1.00 1.77 H new ATOM 303 N PHE A 20 38.775 28.593 7.679 1.00 0.16 N ATOM 304 CA PHE A 20 37.453 29.097 7.227 1.00 0.16 C ATOM 305 C PHE A 20 37.478 30.626 7.292 1.00 0.19 C ATOM 306 O PHE A 20 36.474 31.290 7.123 1.00 0.30 O ATOM 307 CB PHE A 20 36.372 28.549 8.156 1.00 0.14 C ATOM 308 CG PHE A 20 36.138 27.087 7.851 1.00 0.13 C ATOM 309 CD1 PHE A 20 37.024 26.133 8.358 1.00 0.13 C ATOM 310 CD2 PHE A 20 35.049 26.680 7.059 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.832 24.777 8.083 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.860 25.320 6.783 1.00 0.13 C ATOM 313 CZ PHE A 20 35.753 24.370 7.296 1.00 0.12 C ATOM 0 H PHE A 20 38.829 28.349 8.668 1.00 0.16 H new ATOM 0 HA PHE A 20 37.241 28.776 6.207 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.676 28.670 9.196 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.447 29.111 8.026 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.861 26.445 8.965 1.00 0.13 H new ATOM 0 HD2 PHE A 20 34.361 27.414 6.665 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.518 24.043 8.479 1.00 0.12 H new ATOM 0 HE2 PHE A 20 34.026 25.003 6.175 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.606 23.322 7.082 1.00 0.12 H new ATOM 323 N ARG A 21 38.638 31.180 7.529 1.00 0.18 N ATOM 324 CA ARG A 21 38.781 32.665 7.601 1.00 0.21 C ATOM 325 C ARG A 21 37.723 33.280 8.528 1.00 0.18 C ATOM 326 O ARG A 21 37.181 34.328 8.238 1.00 0.19 O ATOM 327 CB ARG A 21 38.621 33.266 6.197 1.00 0.29 C ATOM 328 CG ARG A 21 39.671 32.671 5.223 1.00 0.65 C ATOM 329 CD ARG A 21 39.013 31.639 4.302 1.00 1.12 C ATOM 330 NE ARG A 21 38.117 32.338 3.337 1.00 1.93 N ATOM 331 CZ ARG A 21 37.683 31.711 2.277 1.00 2.67 C ATOM 332 NH1 ARG A 21 38.033 30.473 2.062 1.00 2.95 N ATOM 333 NH2 ARG A 21 36.899 32.324 1.433 1.00 3.64 N ATOM 0 H ARG A 21 39.503 30.661 7.678 1.00 0.18 H new ATOM 0 HA ARG A 21 39.770 32.890 8.000 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.617 33.067 5.823 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.734 34.349 6.245 1.00 0.29 H new ATOM 0 HG2 ARG A 21 40.118 33.467 4.628 1.00 0.65 H new ATOM 0 HG3 ARG A 21 40.478 32.203 5.788 1.00 0.65 H new ATOM 0 HD2 ARG A 21 39.776 31.076 3.765 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.442 30.921 4.891 1.00 1.12 H new ATOM 0 HE ARG A 21 37.843 33.306 3.505 1.00 1.93 H new ATOM 0 HH11 ARG A 21 38.646 29.994 2.722 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.694 29.984 1.234 1.00 2.95 H new ATOM 0 HH21 ARG A 21 36.626 33.292 1.602 1.00 3.64 H new ATOM 0 HH22 ARG A 21 36.560 31.835 0.605 1.00 3.64 H new ATOM 347 N TYR A 22 37.421 32.660 9.642 1.00 0.15 N ATOM 348 CA TYR A 22 36.399 33.253 10.559 1.00 0.13 C ATOM 349 C TYR A 22 37.081 34.316 11.460 1.00 0.14 C ATOM 350 O TYR A 22 38.242 34.166 11.787 1.00 0.15 O ATOM 351 CB TYR A 22 35.816 32.152 11.463 1.00 0.11 C ATOM 352 CG TYR A 22 34.713 31.372 10.757 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.587 32.028 10.222 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.814 29.976 10.650 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.582 31.288 9.588 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.806 29.243 10.015 1.00 0.12 C ATOM 357 CZ TYR A 22 32.692 29.899 9.484 1.00 0.13 C ATOM 358 OH TYR A 22 31.700 29.175 8.861 1.00 0.15 O ATOM 0 H TYR A 22 37.832 31.780 9.953 1.00 0.15 H new ATOM 0 HA TYR A 22 35.605 33.708 9.967 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.610 31.469 11.764 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.419 32.600 12.374 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.499 33.102 10.301 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.673 29.466 11.060 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.719 31.792 9.178 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.889 28.169 9.935 1.00 0.12 H new ATOM 0 HH TYR A 22 31.992 28.930 7.958 1.00 0.15 H new ATOM 368 N PRO A 23 36.349 35.344 11.870 1.00 0.14 N ATOM 369 CA PRO A 23 36.907 36.383 12.762 1.00 0.16 C ATOM 370 C PRO A 23 37.331 35.749 14.101 1.00 0.16 C ATOM 371 O PRO A 23 37.151 34.570 14.326 1.00 0.15 O ATOM 372 CB PRO A 23 35.761 37.400 12.965 1.00 0.17 C ATOM 373 CG PRO A 23 34.497 36.812 12.282 1.00 0.15 C ATOM 374 CD PRO A 23 34.940 35.566 11.484 1.00 0.14 C ATOM 0 HA PRO A 23 37.793 36.862 12.345 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.581 37.569 14.027 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.021 38.364 12.528 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.748 36.544 13.027 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.040 37.549 11.621 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.323 34.701 11.728 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.846 35.731 10.411 1.00 0.14 H new ATOM 382 N TRP A 24 37.905 36.530 14.977 1.00 0.18 N ATOM 383 CA TRP A 24 38.363 35.989 16.295 1.00 0.19 C ATOM 384 C TRP A 24 37.195 35.852 17.284 1.00 0.19 C ATOM 385 O TRP A 24 37.321 35.205 18.305 1.00 0.21 O ATOM 386 CB TRP A 24 39.411 36.937 16.884 1.00 0.21 C ATOM 387 CG TRP A 24 39.834 36.442 18.231 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.378 36.920 19.411 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.783 35.386 18.556 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.985 36.223 20.440 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.859 35.267 19.963 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.576 34.527 17.773 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.693 34.330 20.574 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.416 33.582 18.385 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.474 33.484 19.783 1.00 0.52 C ATOM 0 H TRP A 24 38.078 37.525 14.837 1.00 0.18 H new ATOM 0 HA TRP A 24 38.787 34.998 16.131 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.274 36.999 16.221 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.000 37.943 16.968 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.658 37.716 19.530 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.808 36.394 21.430 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.539 34.595 16.696 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.734 34.259 21.651 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.021 32.927 17.775 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.122 32.755 20.247 1.00 0.52 H new ATOM 406 N GLU A 25 36.072 36.461 17.019 1.00 0.18 N ATOM 407 CA GLU A 25 34.934 36.356 17.984 1.00 0.21 C ATOM 408 C GLU A 25 34.243 34.988 17.860 1.00 0.17 C ATOM 409 O GLU A 25 33.464 34.607 18.711 1.00 0.20 O ATOM 410 CB GLU A 25 33.919 37.482 17.712 1.00 0.29 C ATOM 411 CG GLU A 25 33.868 37.788 16.208 1.00 1.15 C ATOM 412 CD GLU A 25 32.532 38.452 15.857 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.538 37.747 15.808 1.00 1.97 O ATOM 414 OE2 GLU A 25 32.528 39.653 15.643 1.00 2.18 O ATOM 0 H GLU A 25 35.891 37.022 16.186 1.00 0.18 H new ATOM 0 HA GLU A 25 35.324 36.455 18.997 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.931 37.186 18.065 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.200 38.378 18.265 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.694 38.444 15.933 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.988 36.868 15.636 1.00 1.15 H new ATOM 421 N LEU A 26 34.506 34.248 16.813 1.00 0.13 N ATOM 422 CA LEU A 26 33.841 32.912 16.655 1.00 0.11 C ATOM 423 C LEU A 26 34.733 31.801 17.205 1.00 0.10 C ATOM 424 O LEU A 26 34.673 30.673 16.758 1.00 0.11 O ATOM 425 CB LEU A 26 33.570 32.642 15.175 1.00 0.10 C ATOM 426 CG LEU A 26 32.947 33.876 14.520 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.415 33.489 13.141 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.792 34.406 15.380 1.00 0.12 C ATOM 0 H LEU A 26 35.148 34.506 16.063 1.00 0.13 H new ATOM 0 HA LEU A 26 32.903 32.927 17.210 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.500 32.382 14.669 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.901 31.788 15.070 1.00 0.10 H new ATOM 0 HG LEU A 26 33.703 34.655 14.426 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.968 34.362 12.665 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.235 33.120 12.525 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.661 32.709 13.248 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.357 35.284 14.903 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.030 33.633 15.482 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.168 34.677 16.367 1.00 0.12 H new ATOM 440 N MET A 27 35.556 32.096 18.170 1.00 0.12 N ATOM 441 CA MET A 27 36.432 31.038 18.730 1.00 0.13 C ATOM 442 C MET A 27 35.611 30.026 19.576 1.00 0.11 C ATOM 443 O MET A 27 35.910 28.849 19.537 1.00 0.13 O ATOM 444 CB MET A 27 37.550 31.682 19.580 1.00 0.18 C ATOM 445 CG MET A 27 38.757 32.013 18.694 1.00 0.19 C ATOM 446 SD MET A 27 39.647 30.489 18.298 1.00 1.17 S ATOM 447 CE MET A 27 40.695 30.452 19.772 1.00 0.31 C ATOM 0 H MET A 27 35.658 33.019 18.592 1.00 0.12 H new ATOM 0 HA MET A 27 36.886 30.488 17.906 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.179 32.589 20.057 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.849 31.002 20.378 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.426 32.503 17.778 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.419 32.711 19.207 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.724 30.678 19.493 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.342 31.194 20.488 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.651 29.461 20.225 1.00 0.31 H new ATOM 457 N PRO A 28 34.609 30.477 20.325 1.00 0.10 N ATOM 458 CA PRO A 28 33.802 29.554 21.159 1.00 0.09 C ATOM 459 C PRO A 28 33.150 28.457 20.308 1.00 0.10 C ATOM 460 O PRO A 28 32.852 27.388 20.796 1.00 0.19 O ATOM 461 CB PRO A 28 32.747 30.456 21.834 1.00 0.09 C ATOM 462 CG PRO A 28 33.208 31.918 21.612 1.00 0.11 C ATOM 463 CD PRO A 28 34.195 31.896 20.430 1.00 0.11 C ATOM 0 HA PRO A 28 34.410 29.024 21.892 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.761 30.290 21.400 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.669 30.232 22.898 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.357 32.563 21.394 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.686 32.313 22.508 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.722 32.242 19.511 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.050 32.547 20.613 1.00 0.11 H new ATOM 471 N LEU A 29 32.928 28.696 19.047 1.00 0.11 N ATOM 472 CA LEU A 29 32.308 27.636 18.200 1.00 0.09 C ATOM 473 C LEU A 29 33.415 26.706 17.721 1.00 0.10 C ATOM 474 O LEU A 29 33.353 25.507 17.904 1.00 0.19 O ATOM 475 CB LEU A 29 31.590 28.269 17.006 1.00 0.08 C ATOM 476 CG LEU A 29 30.569 29.300 17.505 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.131 30.186 16.338 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.340 28.585 18.082 1.00 0.08 C ATOM 0 H LEU A 29 33.146 29.570 18.568 1.00 0.11 H new ATOM 0 HA LEU A 29 31.572 27.075 18.776 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.313 28.749 16.347 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.087 27.499 16.421 1.00 0.08 H new ATOM 0 HG LEU A 29 31.030 29.910 18.282 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.406 30.919 16.690 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.999 30.702 15.927 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.676 29.569 15.563 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.621 29.325 18.434 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.880 27.971 17.308 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.645 27.951 18.915 1.00 0.08 H new ATOM 490 N MET A 30 34.449 27.247 17.143 1.00 0.10 N ATOM 491 CA MET A 30 35.574 26.386 16.696 1.00 0.12 C ATOM 492 C MET A 30 36.020 25.548 17.893 1.00 0.10 C ATOM 493 O MET A 30 36.673 24.533 17.759 1.00 0.11 O ATOM 494 CB MET A 30 36.732 27.267 16.225 1.00 0.16 C ATOM 495 CG MET A 30 36.448 27.778 14.813 1.00 0.19 C ATOM 496 SD MET A 30 34.928 28.768 14.822 1.00 1.16 S ATOM 497 CE MET A 30 34.143 28.048 13.355 1.00 0.20 C ATOM 0 H MET A 30 34.563 28.244 16.962 1.00 0.10 H new ATOM 0 HA MET A 30 35.265 25.742 15.873 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.863 28.107 16.907 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.662 26.699 16.236 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.284 28.380 14.458 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.344 26.939 14.125 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.475 28.781 12.903 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.910 27.764 12.635 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.572 27.166 13.644 1.00 0.20 H new ATOM 507 N TYR A 31 35.653 25.982 19.069 1.00 0.09 N ATOM 508 CA TYR A 31 36.027 25.238 20.300 1.00 0.09 C ATOM 509 C TYR A 31 35.094 24.034 20.460 1.00 0.09 C ATOM 510 O TYR A 31 35.530 22.921 20.677 1.00 0.10 O ATOM 511 CB TYR A 31 35.889 26.171 21.512 1.00 0.09 C ATOM 512 CG TYR A 31 36.002 25.384 22.797 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.255 25.176 23.384 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.850 24.868 23.403 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.357 24.449 24.576 1.00 0.12 C ATOM 516 CE2 TYR A 31 34.951 24.142 24.596 1.00 0.11 C ATOM 517 CZ TYR A 31 36.205 23.932 25.182 1.00 0.12 C ATOM 518 OH TYR A 31 36.306 23.215 26.358 1.00 0.14 O ATOM 0 H TYR A 31 35.105 26.828 19.228 1.00 0.09 H new ATOM 0 HA TYR A 31 37.057 24.889 20.229 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.663 26.938 21.479 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.929 26.685 21.476 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.143 25.576 22.918 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.883 25.030 22.950 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.324 24.287 25.028 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.062 23.744 25.064 1.00 0.11 H new ATOM 0 HH TYR A 31 35.413 22.929 26.645 1.00 0.14 H new ATOM 528 N VAL A 32 33.811 24.252 20.353 1.00 0.09 N ATOM 529 CA VAL A 32 32.849 23.123 20.498 1.00 0.09 C ATOM 530 C VAL A 32 33.020 22.154 19.326 1.00 0.09 C ATOM 531 O VAL A 32 33.178 20.964 19.514 1.00 0.12 O ATOM 532 CB VAL A 32 31.418 23.668 20.509 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.429 22.499 20.554 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.216 24.565 21.740 1.00 0.12 C ATOM 0 H VAL A 32 33.388 25.162 20.172 1.00 0.09 H new ATOM 0 HA VAL A 32 33.043 22.598 21.433 1.00 0.09 H new ATOM 0 HB VAL A 32 31.245 24.255 19.607 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.410 22.885 20.562 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.571 21.868 19.677 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.601 21.911 21.456 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.197 24.951 21.745 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.388 23.984 22.646 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.919 25.397 21.703 1.00 0.12 H new ATOM 544 N ILE A 33 32.992 22.653 18.117 1.00 0.09 N ATOM 545 CA ILE A 33 33.159 21.770 16.929 1.00 0.09 C ATOM 546 C ILE A 33 34.319 20.789 17.178 1.00 0.10 C ATOM 547 O ILE A 33 34.154 19.589 17.084 1.00 0.11 O ATOM 548 CB ILE A 33 33.418 22.672 15.715 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.186 23.568 15.526 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.638 21.846 14.445 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.302 24.373 14.232 1.00 0.09 C ATOM 0 H ILE A 33 32.860 23.641 17.903 1.00 0.09 H new ATOM 0 HA ILE A 33 32.267 21.172 16.744 1.00 0.09 H new ATOM 0 HB ILE A 33 34.317 23.263 15.890 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.284 22.956 15.501 1.00 0.10 H new ATOM 0 HG13 ILE A 33 32.088 24.245 16.375 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.819 22.514 13.603 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.500 21.192 14.581 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.752 21.243 14.246 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.420 25.002 14.115 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.192 25.000 14.272 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.377 23.691 13.385 1.00 0.09 H new ATOM 563 N LEU A 34 35.480 21.282 17.520 1.00 0.10 N ATOM 564 CA LEU A 34 36.629 20.370 17.803 1.00 0.11 C ATOM 565 C LEU A 34 36.288 19.528 19.048 1.00 0.13 C ATOM 566 O LEU A 34 36.660 18.378 19.147 1.00 0.20 O ATOM 567 CB LEU A 34 37.889 21.242 18.071 1.00 0.09 C ATOM 568 CG LEU A 34 38.898 21.324 16.867 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.264 20.990 15.502 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.479 22.745 16.804 1.00 0.10 C ATOM 0 H LEU A 34 35.683 22.277 17.616 1.00 0.10 H new ATOM 0 HA LEU A 34 36.821 19.705 16.961 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.568 22.251 18.328 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.412 20.843 18.940 1.00 0.09 H new ATOM 0 HG LEU A 34 39.668 20.575 17.051 1.00 0.09 H new ATOM 0 HD11 LEU A 34 39.020 21.068 14.721 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.867 19.975 15.524 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.455 21.691 15.295 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.181 22.815 15.973 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.671 23.462 16.658 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.998 22.968 17.736 1.00 0.10 H new ATOM 582 N LYS A 35 35.590 20.088 19.994 1.00 0.12 N ATOM 583 CA LYS A 35 35.240 19.311 21.221 1.00 0.15 C ATOM 584 C LYS A 35 34.429 18.070 20.845 1.00 0.21 C ATOM 585 O LYS A 35 34.584 17.017 21.432 1.00 0.29 O ATOM 586 CB LYS A 35 34.414 20.191 22.161 1.00 0.13 C ATOM 587 CG LYS A 35 34.329 19.528 23.536 1.00 0.17 C ATOM 588 CD LYS A 35 33.530 20.421 24.487 1.00 0.26 C ATOM 589 CE LYS A 35 33.722 19.935 25.924 1.00 0.80 C ATOM 590 NZ LYS A 35 32.699 20.569 26.803 1.00 1.49 N ATOM 0 H LYS A 35 35.246 21.048 19.974 1.00 0.12 H new ATOM 0 HA LYS A 35 36.158 18.999 21.718 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.871 21.177 22.248 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.414 20.338 21.754 1.00 0.13 H new ATOM 0 HG2 LYS A 35 33.852 18.551 23.451 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.330 19.361 23.933 1.00 0.17 H new ATOM 0 HD2 LYS A 35 33.860 21.456 24.395 1.00 0.26 H new ATOM 0 HD3 LYS A 35 32.473 20.398 24.222 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.632 18.850 25.967 1.00 0.80 H new ATOM 0 HE3 LYS A 35 34.723 20.186 26.274 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 32.829 20.239 27.781 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 32.805 21.603 26.770 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 31.748 20.308 26.473 1.00 1.49 H new ATOM 604 N ASP A 36 33.560 18.181 19.880 1.00 0.24 N ATOM 605 CA ASP A 36 32.734 17.005 19.480 1.00 0.32 C ATOM 606 C ASP A 36 33.486 16.161 18.447 1.00 0.26 C ATOM 607 O ASP A 36 33.388 14.950 18.431 1.00 0.36 O ATOM 608 CB ASP A 36 31.421 17.501 18.869 1.00 0.42 C ATOM 609 CG ASP A 36 30.481 17.973 19.981 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.234 17.197 20.890 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.022 19.101 19.904 1.00 1.42 O ATOM 0 H ASP A 36 33.385 19.035 19.350 1.00 0.24 H new ATOM 0 HA ASP A 36 32.530 16.393 20.359 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.617 18.318 18.174 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.950 16.702 18.296 1.00 0.42 H new ATOM 616 N ALA A 37 34.218 16.790 17.572 1.00 0.18 N ATOM 617 CA ALA A 37 34.955 16.029 16.528 1.00 0.17 C ATOM 618 C ALA A 37 36.262 15.476 17.087 1.00 0.16 C ATOM 619 O ALA A 37 37.259 15.420 16.395 1.00 0.21 O ATOM 620 CB ALA A 37 35.279 16.974 15.381 1.00 0.19 C ATOM 0 H ALA A 37 34.338 17.802 17.535 1.00 0.18 H new ATOM 0 HA ALA A 37 34.336 15.198 16.189 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.820 16.432 14.605 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.354 17.374 14.966 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.896 17.794 15.748 1.00 0.19 H new ATOM 626 N ASP A 38 36.286 15.073 18.324 1.00 0.18 N ATOM 627 CA ASP A 38 37.556 14.541 18.887 1.00 0.20 C ATOM 628 C ASP A 38 38.668 15.554 18.597 1.00 0.18 C ATOM 629 O ASP A 38 39.834 15.223 18.519 1.00 0.22 O ATOM 630 CB ASP A 38 37.876 13.194 18.222 1.00 0.25 C ATOM 631 CG ASP A 38 38.750 12.343 19.150 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.201 11.732 20.052 1.00 1.65 O ATOM 633 OD2 ASP A 38 39.952 12.318 18.942 1.00 1.82 O ATOM 0 H ASP A 38 35.492 15.088 18.964 1.00 0.18 H new ATOM 0 HA ASP A 38 37.469 14.388 19.963 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.952 12.664 17.993 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.391 13.360 17.276 1.00 0.25 H new ATOM 638 N ALA A 39 38.285 16.786 18.418 1.00 0.14 N ATOM 639 CA ALA A 39 39.262 17.861 18.110 1.00 0.14 C ATOM 640 C ALA A 39 40.071 17.486 16.871 1.00 0.14 C ATOM 641 O ALA A 39 41.101 18.067 16.592 1.00 0.16 O ATOM 642 CB ALA A 39 40.197 18.084 19.296 1.00 0.16 C ATOM 0 H ALA A 39 37.315 17.098 18.474 1.00 0.14 H new ATOM 0 HA ALA A 39 38.718 18.786 17.916 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.908 18.875 19.055 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.614 18.374 20.170 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.738 17.163 19.511 1.00 0.16 H new ATOM 648 N ASN A 40 39.608 16.529 16.113 1.00 0.14 N ATOM 649 CA ASN A 40 40.349 16.135 14.882 1.00 0.16 C ATOM 650 C ASN A 40 39.960 17.097 13.758 1.00 0.14 C ATOM 651 O ASN A 40 38.940 16.939 13.116 1.00 0.15 O ATOM 652 CB ASN A 40 39.976 14.691 14.499 1.00 0.20 C ATOM 653 CG ASN A 40 41.141 14.027 13.754 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.063 13.859 12.462 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 42.130 13.659 14.355 1.00 1.19 N flip ATOM 0 H ASN A 40 38.752 16.005 16.293 1.00 0.14 H new ATOM 0 HA ASN A 40 41.425 16.183 15.052 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.734 14.120 15.395 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.085 14.691 13.871 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.191 13.790 15.365 1.00 1.19 H new ATOM 0 HD22 ASN A 40 42.899 13.219 13.850 1.00 1.19 H new ATOM 662 N ILE A 41 40.758 18.100 13.524 1.00 0.13 N ATOM 663 CA ILE A 41 40.430 19.080 12.454 1.00 0.12 C ATOM 664 C ILE A 41 40.033 18.341 11.174 1.00 0.13 C ATOM 665 O ILE A 41 39.025 18.638 10.564 1.00 0.14 O ATOM 666 CB ILE A 41 41.645 19.975 12.209 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.854 20.839 13.467 1.00 0.13 C ATOM 668 CG2 ILE A 41 41.393 20.850 10.969 1.00 0.15 C ATOM 669 CD1 ILE A 41 43.027 21.805 13.283 1.00 0.16 C ATOM 0 H ILE A 41 41.625 18.283 14.029 1.00 0.13 H new ATOM 0 HA ILE A 41 39.588 19.700 12.763 1.00 0.12 H new ATOM 0 HB ILE A 41 42.541 19.383 12.023 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.945 21.402 13.681 1.00 0.13 H new ATOM 0 HG13 ILE A 41 42.040 20.196 14.327 1.00 0.13 H new ATOM 0 HG21 ILE A 41 42.258 21.489 10.793 1.00 0.15 H new ATOM 0 HG22 ILE A 41 41.230 20.212 10.100 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.512 21.470 11.134 1.00 0.15 H new ATOM 0 HD11 ILE A 41 43.152 22.402 14.186 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.939 21.238 13.094 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.827 22.463 12.438 1.00 0.16 H new ATOM 681 N GLU A 42 40.809 17.379 10.762 1.00 0.15 N ATOM 682 CA GLU A 42 40.466 16.627 9.528 1.00 0.16 C ATOM 683 C GLU A 42 39.016 16.155 9.610 1.00 0.16 C ATOM 684 O GLU A 42 38.358 16.009 8.609 1.00 0.19 O ATOM 685 CB GLU A 42 41.396 15.422 9.381 1.00 0.19 C ATOM 686 CG GLU A 42 42.780 15.898 8.934 1.00 0.26 C ATOM 687 CD GLU A 42 43.780 14.745 9.044 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.899 14.192 10.125 1.00 1.80 O ATOM 689 OE2 GLU A 42 44.409 14.436 8.046 1.00 1.67 O ATOM 0 H GLU A 42 41.666 17.082 11.228 1.00 0.15 H new ATOM 0 HA GLU A 42 40.587 17.277 8.661 1.00 0.16 H new ATOM 0 HB2 GLU A 42 41.471 14.889 10.329 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.988 14.721 8.653 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.737 16.259 7.906 1.00 0.26 H new ATOM 0 HG3 GLU A 42 43.105 16.735 9.552 1.00 0.26 H new ATOM 696 N GLU A 43 38.509 15.922 10.792 1.00 0.15 N ATOM 697 CA GLU A 43 37.085 15.478 10.920 1.00 0.16 C ATOM 698 C GLU A 43 36.191 16.713 11.027 1.00 0.15 C ATOM 699 O GLU A 43 35.176 16.822 10.367 1.00 0.21 O ATOM 700 CB GLU A 43 36.904 14.630 12.185 1.00 0.18 C ATOM 701 CG GLU A 43 35.499 13.982 12.191 1.00 0.33 C ATOM 702 CD GLU A 43 35.547 12.616 11.497 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.418 11.831 11.834 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.710 12.379 10.641 1.00 1.84 O ATOM 0 H GLU A 43 39.015 16.019 11.672 1.00 0.15 H new ATOM 0 HA GLU A 43 36.817 14.883 10.047 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.671 13.856 12.227 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.030 15.252 13.071 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.148 13.866 13.216 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.788 14.632 11.682 1.00 0.33 H new ATOM 711 N ALA A 44 36.553 17.636 11.877 1.00 0.13 N ATOM 712 CA ALA A 44 35.719 18.858 12.052 1.00 0.14 C ATOM 713 C ALA A 44 35.695 19.679 10.757 1.00 0.16 C ATOM 714 O ALA A 44 34.659 20.142 10.330 1.00 0.20 O ATOM 715 CB ALA A 44 36.291 19.711 13.199 1.00 0.14 C ATOM 0 H ALA A 44 37.391 17.596 12.458 1.00 0.13 H new ATOM 0 HA ALA A 44 34.699 18.558 12.294 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.681 20.605 13.327 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.284 19.131 14.122 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.314 20.001 12.961 1.00 0.14 H new ATOM 721 N SER A 45 36.823 19.880 10.142 1.00 0.16 N ATOM 722 CA SER A 45 36.852 20.697 8.894 1.00 0.21 C ATOM 723 C SER A 45 35.841 20.171 7.873 1.00 0.20 C ATOM 724 O SER A 45 35.412 20.893 6.996 1.00 0.32 O ATOM 725 CB SER A 45 38.255 20.657 8.287 1.00 0.26 C ATOM 726 OG SER A 45 38.166 20.877 6.884 1.00 1.01 O ATOM 0 H SER A 45 37.726 19.516 10.446 1.00 0.16 H new ATOM 0 HA SER A 45 36.587 21.723 9.149 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.885 21.419 8.747 1.00 0.26 H new ATOM 0 HB3 SER A 45 38.723 19.693 8.487 1.00 0.26 H new ATOM 0 HG SER A 45 39.064 20.854 6.492 1.00 1.01 H new ATOM 732 N ARG A 46 35.461 18.929 7.959 1.00 0.18 N ATOM 733 CA ARG A 46 34.487 18.392 6.965 1.00 0.20 C ATOM 734 C ARG A 46 33.074 18.844 7.345 1.00 0.16 C ATOM 735 O ARG A 46 32.397 19.509 6.587 1.00 0.22 O ATOM 736 CB ARG A 46 34.558 16.855 6.940 1.00 0.23 C ATOM 737 CG ARG A 46 35.984 16.385 7.255 1.00 0.85 C ATOM 738 CD ARG A 46 37.014 17.051 6.325 1.00 1.14 C ATOM 739 NE ARG A 46 36.490 17.098 4.919 1.00 1.59 N ATOM 740 CZ ARG A 46 36.139 16.012 4.284 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.365 14.838 4.809 1.00 2.66 N ATOM 742 NH2 ARG A 46 35.599 16.099 3.100 1.00 2.87 N ATOM 0 H ARG A 46 35.778 18.266 8.666 1.00 0.18 H new ATOM 0 HA ARG A 46 34.734 18.771 5.973 1.00 0.20 H new ATOM 0 HB2 ARG A 46 33.861 16.440 7.668 1.00 0.23 H new ATOM 0 HB3 ARG A 46 34.254 16.486 5.961 1.00 0.23 H new ATOM 0 HG2 ARG A 46 36.224 16.618 8.292 1.00 0.85 H new ATOM 0 HG3 ARG A 46 36.043 15.302 7.149 1.00 0.85 H new ATOM 0 HD2 ARG A 46 37.230 18.061 6.674 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.952 16.496 6.353 1.00 1.14 H new ATOM 0 HE ARG A 46 36.406 17.999 4.449 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.818 14.765 5.720 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.088 13.994 4.308 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.452 17.013 2.672 1.00 2.87 H new ATOM 0 HH22 ARG A 46 35.324 15.253 2.602 1.00 2.87 H new ATOM 756 N ARG A 47 32.625 18.472 8.511 1.00 0.13 N ATOM 757 CA ARG A 47 31.246 18.863 8.948 1.00 0.13 C ATOM 758 C ARG A 47 30.998 20.343 8.627 1.00 0.11 C ATOM 759 O ARG A 47 30.016 20.683 7.998 1.00 0.13 O ATOM 760 CB ARG A 47 30.974 18.585 10.468 1.00 0.18 C ATOM 761 CG ARG A 47 32.274 18.414 11.318 1.00 0.49 C ATOM 762 CD ARG A 47 32.158 17.208 12.282 1.00 0.62 C ATOM 763 NE ARG A 47 31.380 17.537 13.522 1.00 0.81 N ATOM 764 CZ ARG A 47 31.792 18.417 14.389 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.878 19.091 14.179 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.128 18.597 15.494 1.00 1.63 N ATOM 0 H ARG A 47 33.150 17.914 9.184 1.00 0.13 H new ATOM 0 HA ARG A 47 30.549 18.237 8.391 1.00 0.13 H new ATOM 0 HB2 ARG A 47 30.387 19.406 10.879 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.369 17.683 10.561 1.00 0.18 H new ATOM 0 HG2 ARG A 47 33.128 18.273 10.656 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.460 19.323 11.890 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.677 16.378 11.764 1.00 0.62 H new ATOM 0 HD3 ARG A 47 33.157 16.873 12.562 1.00 0.62 H new ATOM 0 HE ARG A 47 30.498 17.055 13.692 1.00 0.81 H new ATOM 0 HH11 ARG A 47 33.419 18.935 13.328 1.00 1.99 H new ATOM 0 HH12 ARG A 47 33.192 19.778 14.864 1.00 1.99 H new ATOM 0 HH21 ARG A 47 30.287 18.049 15.679 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.448 19.286 16.175 1.00 1.63 H new ATOM 780 N ILE A 48 31.869 21.228 9.035 1.00 0.10 N ATOM 781 CA ILE A 48 31.644 22.671 8.717 1.00 0.10 C ATOM 782 C ILE A 48 31.348 22.794 7.222 1.00 0.11 C ATOM 783 O ILE A 48 30.303 23.268 6.824 1.00 0.13 O ATOM 784 CB ILE A 48 32.884 23.495 9.075 1.00 0.10 C ATOM 785 CG1 ILE A 48 33.266 23.214 10.531 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.567 24.987 8.910 1.00 0.11 C ATOM 787 CD1 ILE A 48 34.363 24.182 10.981 1.00 0.10 C ATOM 0 H ILE A 48 32.714 21.020 9.567 1.00 0.10 H new ATOM 0 HA ILE A 48 30.804 23.051 9.299 1.00 0.10 H new ATOM 0 HB ILE A 48 33.711 23.225 8.418 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.391 23.320 11.172 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.613 22.186 10.633 1.00 0.09 H new ATOM 0 HG21 ILE A 48 33.448 25.576 9.164 1.00 0.11 H new ATOM 0 HG22 ILE A 48 32.283 25.186 7.877 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.745 25.260 9.572 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.628 23.975 12.018 1.00 0.10 H new ATOM 0 HD12 ILE A 48 35.242 24.055 10.349 1.00 0.10 H new ATOM 0 HD13 ILE A 48 34.001 25.207 10.897 1.00 0.10 H new ATOM 799 N GLU A 49 32.246 22.342 6.391 1.00 0.11 N ATOM 800 CA GLU A 49 31.995 22.407 4.922 1.00 0.12 C ATOM 801 C GLU A 49 30.635 21.786 4.643 1.00 0.12 C ATOM 802 O GLU A 49 29.727 22.432 4.158 1.00 0.13 O ATOM 803 CB GLU A 49 33.052 21.593 4.184 1.00 0.13 C ATOM 804 CG GLU A 49 34.394 22.329 4.194 1.00 0.15 C ATOM 805 CD GLU A 49 35.333 21.688 3.170 1.00 0.17 C ATOM 806 OE1 GLU A 49 35.465 20.476 3.193 1.00 1.09 O ATOM 807 OE2 GLU A 49 35.904 22.421 2.379 1.00 1.08 O ATOM 0 H GLU A 49 33.139 21.932 6.663 1.00 0.11 H new ATOM 0 HA GLU A 49 32.029 23.444 4.588 1.00 0.12 H new ATOM 0 HB2 GLU A 49 33.162 20.616 4.655 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.734 21.418 3.156 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.245 23.383 3.958 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.838 22.285 5.188 1.00 0.15 H new ATOM 814 N GLU A 50 30.479 20.532 4.979 1.00 0.12 N ATOM 815 CA GLU A 50 29.168 19.867 4.769 1.00 0.13 C ATOM 816 C GLU A 50 28.112 20.755 5.405 1.00 0.12 C ATOM 817 O GLU A 50 26.950 20.704 5.076 1.00 0.12 O ATOM 818 CB GLU A 50 29.164 18.493 5.442 1.00 0.14 C ATOM 819 CG GLU A 50 27.928 17.707 4.998 1.00 0.17 C ATOM 820 CD GLU A 50 28.128 17.203 3.568 1.00 1.15 C ATOM 821 OE1 GLU A 50 29.093 16.493 3.340 1.00 1.74 O ATOM 822 OE2 GLU A 50 27.312 17.536 2.724 1.00 2.03 O ATOM 0 H GLU A 50 31.204 19.944 5.389 1.00 0.12 H new ATOM 0 HA GLU A 50 28.971 19.724 3.706 1.00 0.13 H new ATOM 0 HB2 GLU A 50 30.069 17.946 5.179 1.00 0.14 H new ATOM 0 HB3 GLU A 50 29.164 18.608 6.526 1.00 0.14 H new ATOM 0 HG2 GLU A 50 27.758 16.866 5.670 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.043 18.341 5.051 1.00 0.17 H new ATOM 829 N GLY A 51 28.538 21.594 6.306 1.00 0.11 N ATOM 830 CA GLY A 51 27.585 22.528 6.969 1.00 0.10 C ATOM 831 C GLY A 51 27.354 23.706 6.028 1.00 0.10 C ATOM 832 O GLY A 51 26.240 24.009 5.648 1.00 0.11 O ATOM 0 H GLY A 51 29.507 21.674 6.613 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.644 22.023 7.186 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.989 22.873 7.921 1.00 0.10 H new ATOM 836 N GLN A 52 28.414 24.355 5.625 1.00 0.10 N ATOM 837 CA GLN A 52 28.285 25.500 4.677 1.00 0.12 C ATOM 838 C GLN A 52 27.411 25.062 3.512 1.00 0.12 C ATOM 839 O GLN A 52 26.508 25.758 3.094 1.00 0.13 O ATOM 840 CB GLN A 52 29.674 25.881 4.164 1.00 0.14 C ATOM 841 CG GLN A 52 30.565 26.245 5.353 1.00 0.19 C ATOM 842 CD GLN A 52 30.162 27.618 5.886 1.00 0.42 C ATOM 843 OE1 GLN A 52 30.674 28.042 7.007 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 29.373 28.313 5.277 1.00 0.39 N flip ATOM 0 H GLN A 52 29.368 24.140 5.913 1.00 0.10 H new ATOM 0 HA GLN A 52 27.837 26.360 5.174 1.00 0.12 H new ATOM 0 HB2 GLN A 52 30.110 25.051 3.608 1.00 0.14 H new ATOM 0 HB3 GLN A 52 29.603 26.723 3.476 1.00 0.14 H new ATOM 0 HG2 GLN A 52 30.468 25.495 6.138 1.00 0.19 H new ATOM 0 HG3 GLN A 52 31.612 26.254 5.048 1.00 0.19 H new ATOM 0 HE21 GLN A 52 28.972 27.981 4.400 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.111 29.228 5.643 1.00 0.39 H new ATOM 853 N TYR A 53 27.671 23.898 2.997 1.00 0.12 N ATOM 854 CA TYR A 53 26.850 23.389 1.865 1.00 0.13 C ATOM 855 C TYR A 53 25.385 23.296 2.317 1.00 0.13 C ATOM 856 O TYR A 53 24.491 23.752 1.634 1.00 0.15 O ATOM 857 CB TYR A 53 27.367 22.006 1.419 1.00 0.14 C ATOM 858 CG TYR A 53 26.299 21.288 0.617 1.00 0.15 C ATOM 859 CD1 TYR A 53 25.273 20.617 1.287 1.00 0.16 C ATOM 860 CD2 TYR A 53 26.324 21.309 -0.782 1.00 0.17 C ATOM 861 CE1 TYR A 53 24.271 19.964 0.569 1.00 0.18 C ATOM 862 CE2 TYR A 53 25.318 20.656 -1.507 1.00 0.19 C ATOM 863 CZ TYR A 53 24.289 19.985 -0.831 1.00 0.19 C ATOM 864 OH TYR A 53 23.298 19.341 -1.544 1.00 0.22 O ATOM 0 H TYR A 53 28.416 23.275 3.309 1.00 0.12 H new ATOM 0 HA TYR A 53 26.924 24.070 1.017 1.00 0.13 H new ATOM 0 HB2 TYR A 53 28.269 22.122 0.818 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.640 21.412 2.291 1.00 0.14 H new ATOM 0 HD1 TYR A 53 25.256 20.604 2.367 1.00 0.16 H new ATOM 0 HD2 TYR A 53 27.116 21.827 -1.302 1.00 0.17 H new ATOM 0 HE1 TYR A 53 23.483 19.443 1.092 1.00 0.18 H new ATOM 0 HE2 TYR A 53 25.335 20.670 -2.587 1.00 0.19 H new ATOM 0 HH TYR A 53 23.459 19.454 -2.504 1.00 0.22 H new ATOM 874 N VAL A 54 25.129 22.706 3.456 1.00 0.15 N ATOM 875 CA VAL A 54 23.715 22.593 3.922 1.00 0.14 C ATOM 876 C VAL A 54 23.074 23.979 3.897 1.00 0.14 C ATOM 877 O VAL A 54 22.160 24.244 3.142 1.00 0.15 O ATOM 878 CB VAL A 54 23.654 22.048 5.360 1.00 0.13 C ATOM 879 CG1 VAL A 54 22.189 22.042 5.814 1.00 0.14 C ATOM 880 CG2 VAL A 54 24.233 20.608 5.444 1.00 0.14 C ATOM 0 H VAL A 54 25.829 22.302 4.078 1.00 0.15 H new ATOM 0 HA VAL A 54 23.184 21.908 3.262 1.00 0.14 H new ATOM 0 HB VAL A 54 24.255 22.686 6.007 1.00 0.13 H new ATOM 0 HG11 VAL A 54 22.125 21.658 6.832 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.794 23.058 5.783 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.605 21.406 5.149 1.00 0.14 H new ATOM 0 HG21 VAL A 54 24.175 20.252 6.473 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.657 19.946 4.798 1.00 0.14 H new ATOM 0 HG23 VAL A 54 25.274 20.615 5.120 1.00 0.14 H new ATOM 890 N VAL A 55 23.555 24.865 4.722 1.00 0.15 N ATOM 891 CA VAL A 55 22.989 26.240 4.760 1.00 0.16 C ATOM 892 C VAL A 55 22.980 26.812 3.342 1.00 0.19 C ATOM 893 O VAL A 55 21.958 27.234 2.838 1.00 0.22 O ATOM 894 CB VAL A 55 23.860 27.110 5.675 1.00 0.19 C ATOM 895 CG1 VAL A 55 23.210 28.483 5.867 1.00 0.29 C ATOM 896 CG2 VAL A 55 24.003 26.419 7.034 1.00 0.13 C ATOM 0 H VAL A 55 24.320 24.694 5.375 1.00 0.15 H new ATOM 0 HA VAL A 55 21.970 26.222 5.145 1.00 0.16 H new ATOM 0 HB VAL A 55 24.842 27.243 5.220 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.835 29.094 6.518 1.00 0.29 H new ATOM 0 HG12 VAL A 55 23.105 28.974 4.900 1.00 0.29 H new ATOM 0 HG13 VAL A 55 22.226 28.360 6.320 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.621 27.032 7.690 1.00 0.13 H new ATOM 0 HG22 VAL A 55 23.018 26.288 7.481 1.00 0.13 H new ATOM 0 HG23 VAL A 55 24.472 25.444 6.899 1.00 0.13 H new ATOM 906 N ASN A 56 24.111 26.825 2.695 1.00 0.22 N ATOM 907 CA ASN A 56 24.171 27.365 1.306 1.00 0.27 C ATOM 908 C ASN A 56 23.125 26.656 0.438 1.00 0.26 C ATOM 909 O ASN A 56 22.335 27.283 -0.238 1.00 0.33 O ATOM 910 CB ASN A 56 25.567 27.125 0.726 1.00 0.35 C ATOM 911 CG ASN A 56 25.667 27.773 -0.657 1.00 0.71 C ATOM 912 OD1 ASN A 56 24.664 28.078 -1.271 1.00 1.56 O ATOM 913 ND2 ASN A 56 26.843 27.996 -1.178 1.00 0.90 N ATOM 0 H ASN A 56 24.998 26.485 3.067 1.00 0.22 H new ATOM 0 HA ASN A 56 23.964 28.435 1.321 1.00 0.27 H new ATOM 0 HB2 ASN A 56 26.324 27.542 1.390 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.762 26.055 0.652 1.00 0.35 H new ATOM 0 HD21 ASN A 56 26.919 28.426 -2.100 1.00 0.90 H new ATOM 0 HD22 ASN A 56 27.686 27.740 -0.663 1.00 0.90 H new ATOM 920 N GLU A 57 23.112 25.351 0.455 1.00 0.24 N ATOM 921 CA GLU A 57 22.115 24.602 -0.363 1.00 0.26 C ATOM 922 C GLU A 57 20.703 25.003 0.074 1.00 0.25 C ATOM 923 O GLU A 57 19.878 25.393 -0.727 1.00 0.32 O ATOM 924 CB GLU A 57 22.321 23.093 -0.151 1.00 0.29 C ATOM 925 CG GLU A 57 21.123 22.299 -0.698 1.00 0.50 C ATOM 926 CD GLU A 57 20.760 22.795 -2.099 1.00 1.58 C ATOM 927 OE1 GLU A 57 21.434 22.406 -3.038 1.00 2.37 O ATOM 928 OE2 GLU A 57 19.812 23.555 -2.207 1.00 2.31 O ATOM 0 H GLU A 57 23.749 24.770 1.000 1.00 0.24 H new ATOM 0 HA GLU A 57 22.245 24.838 -1.419 1.00 0.26 H new ATOM 0 HB2 GLU A 57 23.235 22.772 -0.650 1.00 0.29 H new ATOM 0 HB3 GLU A 57 22.448 22.884 0.911 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.365 21.237 -0.731 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.268 22.410 -0.031 1.00 0.50 H new ATOM 935 N TYR A 58 20.422 24.903 1.341 1.00 0.22 N ATOM 936 CA TYR A 58 19.068 25.268 1.843 1.00 0.26 C ATOM 937 C TYR A 58 18.812 26.763 1.605 1.00 0.32 C ATOM 938 O TYR A 58 17.688 27.223 1.657 1.00 0.46 O ATOM 939 CB TYR A 58 18.993 24.936 3.343 1.00 0.33 C ATOM 940 CG TYR A 58 17.872 25.704 4.007 1.00 0.77 C ATOM 941 CD1 TYR A 58 16.561 25.216 3.962 1.00 0.82 C ATOM 942 CD2 TYR A 58 18.150 26.906 4.667 1.00 1.98 C ATOM 943 CE1 TYR A 58 15.527 25.932 4.577 1.00 0.99 C ATOM 944 CE2 TYR A 58 17.117 27.622 5.283 1.00 2.44 C ATOM 945 CZ TYR A 58 15.805 27.135 5.238 1.00 1.71 C ATOM 946 OH TYR A 58 14.786 27.840 5.844 1.00 2.18 O ATOM 0 H TYR A 58 21.075 24.582 2.056 1.00 0.22 H new ATOM 0 HA TYR A 58 18.303 24.703 1.310 1.00 0.26 H new ATOM 0 HB2 TYR A 58 18.835 23.866 3.476 1.00 0.33 H new ATOM 0 HB3 TYR A 58 19.941 25.180 3.822 1.00 0.33 H new ATOM 0 HD1 TYR A 58 16.347 24.288 3.453 1.00 0.82 H new ATOM 0 HD2 TYR A 58 19.162 27.282 4.701 1.00 1.98 H new ATOM 0 HE1 TYR A 58 14.515 25.557 4.542 1.00 0.99 H new ATOM 0 HE2 TYR A 58 17.332 28.550 5.793 1.00 2.44 H new ATOM 0 HH TYR A 58 15.150 28.651 6.258 1.00 2.18 H new ATOM 956 N SER A 59 19.840 27.522 1.362 1.00 0.40 N ATOM 957 CA SER A 59 19.654 28.983 1.139 1.00 0.52 C ATOM 958 C SER A 59 19.260 29.255 -0.317 1.00 0.55 C ATOM 959 O SER A 59 18.492 30.154 -0.598 1.00 0.70 O ATOM 960 CB SER A 59 20.959 29.709 1.459 1.00 0.61 C ATOM 961 OG SER A 59 21.154 29.726 2.867 1.00 1.22 O ATOM 0 H SER A 59 20.804 27.195 1.308 1.00 0.40 H new ATOM 0 HA SER A 59 18.858 29.344 1.790 1.00 0.52 H new ATOM 0 HB2 SER A 59 21.796 29.210 0.970 1.00 0.61 H new ATOM 0 HB3 SER A 59 20.926 30.728 1.073 1.00 0.61 H new ATOM 0 HG SER A 59 21.196 28.806 3.203 1.00 1.22 H new ATOM 967 N ARG A 60 19.780 28.500 -1.249 1.00 0.55 N ATOM 968 CA ARG A 60 19.425 28.745 -2.677 1.00 0.68 C ATOM 969 C ARG A 60 17.971 28.328 -2.927 1.00 0.68 C ATOM 970 O ARG A 60 17.351 28.748 -3.883 1.00 0.81 O ATOM 971 CB ARG A 60 20.391 27.967 -3.598 1.00 0.80 C ATOM 972 CG ARG A 60 19.970 26.480 -3.750 1.00 1.08 C ATOM 973 CD ARG A 60 19.135 26.289 -5.027 1.00 1.52 C ATOM 974 NE ARG A 60 18.274 25.070 -4.888 1.00 2.16 N ATOM 975 CZ ARG A 60 18.788 23.907 -4.590 1.00 2.72 C ATOM 976 NH1 ARG A 60 20.082 23.733 -4.600 1.00 2.84 N ATOM 977 NH2 ARG A 60 18.001 22.897 -4.337 1.00 3.69 N ATOM 0 H ARG A 60 20.430 27.731 -1.085 1.00 0.55 H new ATOM 0 HA ARG A 60 19.521 29.807 -2.901 1.00 0.68 H new ATOM 0 HB2 ARG A 60 20.417 28.440 -4.580 1.00 0.80 H new ATOM 0 HB3 ARG A 60 21.401 28.019 -3.192 1.00 0.80 H new ATOM 0 HG2 ARG A 60 20.856 25.846 -3.789 1.00 1.08 H new ATOM 0 HG3 ARG A 60 19.393 26.168 -2.880 1.00 1.08 H new ATOM 0 HD2 ARG A 60 18.514 27.167 -5.202 1.00 1.52 H new ATOM 0 HD3 ARG A 60 19.792 26.186 -5.891 1.00 1.52 H new ATOM 0 HE ARG A 60 17.267 25.150 -5.029 1.00 2.16 H new ATOM 0 HH11 ARG A 60 20.699 24.508 -4.842 1.00 2.84 H new ATOM 0 HH12 ARG A 60 20.476 22.822 -4.366 1.00 2.84 H new ATOM 0 HH21 ARG A 60 16.989 23.018 -4.372 1.00 3.69 H new ATOM 0 HH22 ARG A 60 18.398 21.987 -4.104 1.00 3.69 H new ATOM 991 N GLN A 61 17.422 27.510 -2.072 1.00 0.65 N ATOM 992 CA GLN A 61 16.011 27.075 -2.264 1.00 0.75 C ATOM 993 C GLN A 61 15.068 28.195 -1.816 1.00 0.82 C ATOM 994 O GLN A 61 14.104 28.512 -2.484 1.00 0.98 O ATOM 995 CB GLN A 61 15.743 25.818 -1.433 1.00 0.78 C ATOM 996 CG GLN A 61 14.375 25.243 -1.806 1.00 1.35 C ATOM 997 CD GLN A 61 14.193 23.879 -1.139 1.00 1.81 C ATOM 998 OE1 GLN A 61 14.626 23.673 -0.022 1.00 2.46 O ATOM 999 NE2 GLN A 61 13.567 22.930 -1.781 1.00 2.39 N ATOM 0 H GLN A 61 17.889 27.125 -1.251 1.00 0.65 H new ATOM 0 HA GLN A 61 15.840 26.854 -3.318 1.00 0.75 H new ATOM 0 HB2 GLN A 61 16.522 25.077 -1.613 1.00 0.78 H new ATOM 0 HB3 GLN A 61 15.771 26.059 -0.370 1.00 0.78 H new ATOM 0 HG2 GLN A 61 13.585 25.923 -1.488 1.00 1.35 H new ATOM 0 HG3 GLN A 61 14.294 25.144 -2.888 1.00 1.35 H new ATOM 0 HE21 GLN A 61 13.203 23.102 -2.718 1.00 2.39 H new ATOM 0 HE22 GLN A 61 13.441 22.016 -1.345 1.00 2.39 H new ATOM 1008 N HIS A 62 15.338 28.799 -0.687 1.00 0.86 N ATOM 1009 CA HIS A 62 14.458 29.900 -0.194 1.00 1.04 C ATOM 1010 C HIS A 62 14.940 31.236 -0.762 1.00 1.08 C ATOM 1011 O HIS A 62 14.205 32.202 -0.811 1.00 1.27 O ATOM 1012 CB HIS A 62 14.513 29.947 1.335 1.00 1.15 C ATOM 1013 CG HIS A 62 14.048 28.630 1.892 1.00 1.32 C ATOM 1014 ND1 HIS A 62 14.568 27.418 1.457 1.00 1.81 N ATOM 1015 CD2 HIS A 62 13.112 28.316 2.847 1.00 1.57 C ATOM 1016 CE1 HIS A 62 13.947 26.440 2.143 1.00 1.95 C ATOM 1017 NE2 HIS A 62 13.054 26.937 3.000 1.00 1.81 N ATOM 0 H HIS A 62 16.131 28.577 -0.085 1.00 0.86 H new ATOM 0 HA HIS A 62 13.433 29.718 -0.518 1.00 1.04 H new ATOM 0 HB2 HIS A 62 15.530 30.156 1.667 1.00 1.15 H new ATOM 0 HB3 HIS A 62 13.883 30.755 1.708 1.00 1.15 H new ATOM 0 HD2 HIS A 62 12.514 29.030 3.394 1.00 1.57 H new ATOM 0 HE1 HIS A 62 14.147 25.386 2.015 1.00 1.95 H new ATOM 0 HE2 HIS A 62 12.453 26.413 3.636 1.00 1.81 H new ATOM 1025 N ASN A 63 16.171 31.299 -1.193 1.00 1.07 N ATOM 1026 CA ASN A 63 16.702 32.572 -1.760 1.00 1.28 C ATOM 1027 C ASN A 63 16.522 33.706 -0.747 1.00 1.39 C ATOM 1028 O ASN A 63 16.806 34.853 -1.029 1.00 1.84 O ATOM 1029 CB ASN A 63 15.948 32.913 -3.048 1.00 1.47 C ATOM 1030 CG ASN A 63 15.916 31.686 -3.962 1.00 1.99 C ATOM 1031 OD1 ASN A 63 15.250 30.627 -3.591 1.00 2.62 O flip ATOM 1032 ND2 ASN A 63 16.503 31.692 -5.026 1.00 2.68 N flip ATOM 0 H ASN A 63 16.833 30.523 -1.177 1.00 1.07 H new ATOM 0 HA ASN A 63 17.763 32.452 -1.980 1.00 1.28 H new ATOM 0 HB2 ASN A 63 14.932 33.231 -2.814 1.00 1.47 H new ATOM 0 HB3 ASN A 63 16.434 33.746 -3.557 1.00 1.47 H new ATOM 0 HD21 ASN A 63 17.024 32.520 -5.317 1.00 2.68 H new ATOM 0 HD22 ASN A 63 16.475 30.870 -5.629 1.00 2.68 H new ATOM 1039 N LEU A 64 16.055 33.395 0.433 1.00 1.34 N ATOM 1040 CA LEU A 64 15.861 34.457 1.463 1.00 1.51 C ATOM 1041 C LEU A 64 15.119 35.645 0.843 1.00 1.81 C ATOM 1042 O LEU A 64 14.141 35.480 0.140 1.00 2.42 O ATOM 1043 CB LEU A 64 17.225 34.926 1.981 1.00 1.61 C ATOM 1044 CG LEU A 64 18.082 33.716 2.372 1.00 1.76 C ATOM 1045 CD1 LEU A 64 19.485 34.194 2.756 1.00 1.87 C ATOM 1046 CD2 LEU A 64 17.445 32.991 3.565 1.00 2.54 C ATOM 0 H LEU A 64 15.800 32.453 0.728 1.00 1.34 H new ATOM 0 HA LEU A 64 15.276 34.053 2.290 1.00 1.51 H new ATOM 0 HB2 LEU A 64 17.734 35.509 1.214 1.00 1.61 H new ATOM 0 HB3 LEU A 64 17.091 35.580 2.842 1.00 1.61 H new ATOM 0 HG LEU A 64 18.145 33.029 1.528 1.00 1.76 H new ATOM 0 HD11 LEU A 64 20.098 33.337 3.035 1.00 1.87 H new ATOM 0 HD12 LEU A 64 19.940 34.705 1.908 1.00 1.87 H new ATOM 0 HD13 LEU A 64 19.417 34.881 3.599 1.00 1.87 H new ATOM 0 HD21 LEU A 64 18.058 32.132 3.838 1.00 2.54 H new ATOM 0 HD22 LEU A 64 17.378 33.674 4.412 1.00 2.54 H new ATOM 0 HD23 LEU A 64 16.446 32.651 3.293 1.00 2.54 H new ATOM 1058 N ASN A 65 15.578 36.843 1.103 1.00 2.02 N ATOM 1059 CA ASN A 65 14.916 38.057 0.545 1.00 2.49 C ATOM 1060 C ASN A 65 15.997 39.024 0.051 1.00 3.04 C ATOM 1061 O ASN A 65 16.903 39.375 0.781 1.00 3.62 O ATOM 1062 CB ASN A 65 14.085 38.722 1.651 1.00 3.04 C ATOM 1063 CG ASN A 65 14.785 38.539 3.000 1.00 3.59 C ATOM 1064 OD1 ASN A 65 15.992 38.642 3.091 1.00 4.09 O ATOM 1065 ND2 ASN A 65 14.072 38.271 4.060 1.00 4.13 N ATOM 0 H ASN A 65 16.394 37.032 1.686 1.00 2.02 H new ATOM 0 HA ASN A 65 14.263 37.788 -0.285 1.00 2.49 H new ATOM 0 HB2 ASN A 65 13.959 39.783 1.437 1.00 3.04 H new ATOM 0 HB3 ASN A 65 13.088 38.283 1.685 1.00 3.04 H new ATOM 0 HD21 ASN A 65 14.528 38.148 4.964 1.00 4.13 H new ATOM 0 HD22 ASN A 65 13.059 38.184 3.984 1.00 4.13 H new ATOM 1072 N ILE A 66 15.907 39.451 -1.186 1.00 0.00 N ATOM 1073 CA ILE A 66 16.927 40.395 -1.749 1.00 0.00 C ATOM 1074 C ILE A 66 16.229 41.675 -2.216 1.00 0.00 C ATOM 1075 O ILE A 66 16.822 42.734 -2.260 1.00 0.00 O ATOM 1076 CB ILE A 66 17.632 39.737 -2.943 1.00 0.00 C ATOM 1077 CG1 ILE A 66 18.439 38.499 -2.473 1.00 0.00 C ATOM 1078 CG2 ILE A 66 18.581 40.757 -3.583 1.00 0.00 C ATOM 1079 CD1 ILE A 66 17.560 37.240 -2.497 1.00 0.00 C ATOM 0 H ILE A 66 15.166 39.185 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 66 17.662 40.636 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 66 16.887 39.413 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 66 19.306 38.356 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 18.817 38.666 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 66 19.087 40.299 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 66 18.011 41.621 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 66 19.321 41.076 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 66 18.144 36.382 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.707 37.379 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 66 17.204 37.064 -3.512 1.00 0.00 H new ATOM 1091 N TYR A 67 14.974 41.589 -2.565 1.00 0.00 N ATOM 1092 CA TYR A 67 14.246 42.805 -3.027 1.00 0.00 C ATOM 1093 C TYR A 67 13.814 43.631 -1.814 1.00 0.00 C ATOM 1094 O TYR A 67 13.784 43.146 -0.700 1.00 0.00 O ATOM 1095 CB TYR A 67 13.010 42.390 -3.829 1.00 0.00 C ATOM 1096 CG TYR A 67 12.267 41.305 -3.087 1.00 0.00 C ATOM 1097 CD1 TYR A 67 11.297 41.645 -2.136 1.00 0.00 C ATOM 1098 CD2 TYR A 67 12.546 39.960 -3.352 1.00 0.00 C ATOM 1099 CE1 TYR A 67 10.608 40.639 -1.449 1.00 0.00 C ATOM 1100 CE2 TYR A 67 11.856 38.953 -2.666 1.00 0.00 C ATOM 1101 CZ TYR A 67 10.887 39.293 -1.714 1.00 0.00 C ATOM 1102 OH TYR A 67 10.207 38.301 -1.038 1.00 0.00 O ATOM 0 H TYR A 67 14.422 40.731 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 67 14.903 43.402 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.359 43.250 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.307 42.033 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.081 42.683 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 67 13.294 39.698 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.861 40.901 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.071 37.915 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 67 10.521 37.424 -1.342 1.00 0.00 H new ATOM 1112 N ASP A 68 13.481 44.876 -2.020 1.00 0.00 N ATOM 1113 CA ASP A 68 13.055 45.730 -0.876 1.00 0.00 C ATOM 1114 C ASP A 68 12.424 47.019 -1.406 1.00 0.00 C ATOM 1115 O ASP A 68 11.477 47.534 -0.846 1.00 0.00 O ATOM 1116 CB ASP A 68 14.272 46.076 -0.018 1.00 0.00 C ATOM 1117 CG ASP A 68 15.424 46.521 -0.922 1.00 0.00 C ATOM 1118 OD1 ASP A 68 16.114 45.657 -1.437 1.00 0.00 O ATOM 1119 OD2 ASP A 68 15.595 47.718 -1.084 1.00 0.00 O ATOM 0 H ASP A 68 13.486 45.338 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 68 12.325 45.190 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.020 46.870 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.572 45.210 0.572 1.00 0.00 H new ATOM 1124 N GLY A 69 12.942 47.543 -2.482 1.00 0.00 N ATOM 1125 CA GLY A 69 12.371 48.799 -3.047 1.00 0.00 C ATOM 1126 C GLY A 69 10.990 48.511 -3.635 1.00 0.00 C ATOM 1127 O GLY A 69 10.120 49.359 -3.647 1.00 0.00 O ATOM 0 H GLY A 69 13.735 47.157 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.296 49.559 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.031 49.196 -3.818 1.00 0.00 H new ATOM 1131 N GLY A 70 10.780 47.319 -4.123 1.00 0.00 N ATOM 1132 CA GLY A 70 9.453 46.978 -4.710 1.00 0.00 C ATOM 1133 C GLY A 70 9.287 47.703 -6.046 1.00 0.00 C ATOM 1134 O GLY A 70 9.382 48.912 -6.122 1.00 0.00 O ATOM 0 H GLY A 70 11.469 46.567 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.374 45.901 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.655 47.267 -4.026 1.00 0.00 H new ATOM 1138 N GLU A 71 9.043 46.976 -7.103 1.00 0.00 N ATOM 1139 CA GLU A 71 8.877 47.630 -8.431 1.00 0.00 C ATOM 1140 C GLU A 71 10.053 48.578 -8.672 1.00 0.00 C ATOM 1141 O GLU A 71 9.960 49.767 -8.444 1.00 0.00 O ATOM 1142 CB GLU A 71 7.569 48.424 -8.453 1.00 0.00 C ATOM 1143 CG GLU A 71 6.442 47.571 -7.868 1.00 0.00 C ATOM 1144 CD GLU A 71 6.303 46.282 -8.679 1.00 0.00 C ATOM 1145 OE1 GLU A 71 5.782 46.351 -9.780 1.00 0.00 O ATOM 1146 OE2 GLU A 71 6.719 45.247 -8.184 1.00 0.00 O ATOM 0 H GLU A 71 8.952 45.960 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 71 8.849 46.870 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.680 49.343 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.326 48.715 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.654 47.336 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.505 48.127 -7.885 1.00 0.00 H new ATOM 1153 N LEU A 72 11.163 48.060 -9.125 1.00 0.00 N ATOM 1154 CA LEU A 72 12.348 48.932 -9.373 1.00 0.00 C ATOM 1155 C LEU A 72 13.226 48.316 -10.466 1.00 0.00 C ATOM 1156 O LEU A 72 12.813 47.425 -11.181 1.00 0.00 O ATOM 1157 CB LEU A 72 13.151 49.094 -8.071 1.00 0.00 C ATOM 1158 CG LEU A 72 13.933 47.814 -7.743 1.00 0.00 C ATOM 1159 CD1 LEU A 72 14.524 47.932 -6.337 1.00 0.00 C ATOM 1160 CD2 LEU A 72 12.997 46.602 -7.797 1.00 0.00 C ATOM 0 H LEU A 72 11.301 47.071 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 72 12.012 49.914 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.842 49.932 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.475 49.332 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 72 14.732 47.684 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.080 47.025 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.194 48.791 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.719 48.064 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.559 45.698 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.195 46.729 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.570 46.516 -8.796 1.00 0.00 H new ATOM 1172 N ARG A 73 14.434 48.790 -10.601 1.00 0.00 N ATOM 1173 CA ARG A 73 15.340 48.239 -11.648 1.00 0.00 C ATOM 1174 C ARG A 73 15.926 46.907 -11.172 1.00 0.00 C ATOM 1175 O ARG A 73 15.345 46.218 -10.356 1.00 0.00 O ATOM 1176 CB ARG A 73 16.472 49.238 -11.911 1.00 0.00 C ATOM 1177 CG ARG A 73 17.381 49.336 -10.675 1.00 0.00 C ATOM 1178 CD ARG A 73 18.150 50.667 -10.697 1.00 0.00 C ATOM 1179 NE ARG A 73 18.389 51.084 -12.107 1.00 0.00 N ATOM 1180 CZ ARG A 73 18.740 52.312 -12.372 1.00 0.00 C ATOM 1181 NH1 ARG A 73 18.891 53.172 -11.401 1.00 0.00 N ATOM 1182 NH2 ARG A 73 18.943 52.681 -13.608 1.00 0.00 N ATOM 0 H ARG A 73 14.833 49.536 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 73 14.779 48.073 -12.568 1.00 0.00 H new ATOM 0 HB2 ARG A 73 17.054 48.922 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.057 50.218 -12.146 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.783 49.266 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.082 48.501 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.582 51.435 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.100 50.558 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 73 18.278 50.410 -12.864 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.734 52.883 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 73 19.165 54.132 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.827 52.009 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 73 19.217 53.641 -13.815 1.00 0.00 H new ATOM 1196 N ASN A 74 17.072 46.538 -11.677 1.00 0.00 N ATOM 1197 CA ASN A 74 17.694 45.250 -11.256 1.00 0.00 C ATOM 1198 C ASN A 74 19.196 45.290 -11.548 1.00 0.00 C ATOM 1199 O ASN A 74 19.645 45.980 -12.442 1.00 0.00 O ATOM 1200 CB ASN A 74 17.052 44.096 -12.033 1.00 0.00 C ATOM 1201 CG ASN A 74 16.833 44.518 -13.486 1.00 0.00 C ATOM 1202 OD1 ASN A 74 15.963 45.316 -13.775 1.00 0.00 O ATOM 1203 ND2 ASN A 74 17.590 44.013 -14.421 1.00 0.00 N ATOM 0 H ASN A 74 17.604 47.073 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 74 17.536 45.101 -10.188 1.00 0.00 H new ATOM 0 HB2 ASN A 74 17.693 43.215 -11.992 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.101 43.820 -11.576 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.451 44.288 -15.393 1.00 0.00 H new ATOM 0 HD22 ASN A 74 18.320 43.343 -14.180 1.00 0.00 H new ATOM 1210 N THR A 75 19.973 44.548 -10.806 1.00 0.00 N ATOM 1211 CA THR A 75 21.443 44.530 -11.038 1.00 0.00 C ATOM 1212 C THR A 75 21.959 45.963 -11.223 1.00 0.00 C ATOM 1213 O THR A 75 21.826 46.795 -10.348 1.00 0.00 O ATOM 1214 CB THR A 75 21.740 43.697 -12.288 1.00 0.00 C ATOM 1215 OG1 THR A 75 20.969 42.504 -12.250 1.00 0.00 O ATOM 1216 CG2 THR A 75 23.224 43.343 -12.324 1.00 0.00 C ATOM 0 H THR A 75 19.649 43.951 -10.045 1.00 0.00 H new ATOM 0 HA THR A 75 21.946 44.087 -10.178 1.00 0.00 H new ATOM 0 HB THR A 75 21.484 44.270 -13.179 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.155 41.969 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 75 23.435 42.750 -13.214 1.00 0.00 H new ATOM 0 HG22 THR A 75 23.816 44.258 -12.349 1.00 0.00 H new ATOM 0 HG23 THR A 75 23.483 42.768 -11.435 1.00 0.00 H new ATOM 1224 N THR A 76 22.545 46.257 -12.352 1.00 0.00 N ATOM 1225 CA THR A 76 23.066 47.635 -12.588 1.00 0.00 C ATOM 1226 C THR A 76 23.868 48.098 -11.369 1.00 0.00 C ATOM 1227 O THR A 76 24.004 49.278 -11.114 1.00 0.00 O ATOM 1228 CB THR A 76 21.893 48.591 -12.824 1.00 0.00 C ATOM 1229 OG1 THR A 76 21.029 48.567 -11.696 1.00 0.00 O ATOM 1230 CG2 THR A 76 21.121 48.155 -14.070 1.00 0.00 C ATOM 0 H THR A 76 22.686 45.603 -13.122 1.00 0.00 H new ATOM 0 HA THR A 76 23.714 47.632 -13.465 1.00 0.00 H new ATOM 0 HB THR A 76 22.272 49.603 -12.969 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.501 48.178 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 76 20.286 48.836 -14.238 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.785 48.175 -14.935 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.741 47.143 -13.927 1.00 0.00 H new ATOM 1238 N ARG A 77 24.400 47.176 -10.613 1.00 0.00 N ATOM 1239 CA ARG A 77 25.192 47.563 -9.411 1.00 0.00 C ATOM 1240 C ARG A 77 26.382 48.426 -9.837 1.00 0.00 C ATOM 1241 O ARG A 77 26.433 49.608 -9.559 1.00 0.00 O ATOM 1242 CB ARG A 77 25.701 46.301 -8.709 1.00 0.00 C ATOM 1243 CG ARG A 77 24.507 45.484 -8.195 1.00 0.00 C ATOM 1244 CD ARG A 77 24.999 44.221 -7.451 1.00 0.00 C ATOM 1245 NE ARG A 77 24.198 43.028 -7.880 1.00 0.00 N ATOM 1246 CZ ARG A 77 22.892 43.074 -7.951 1.00 0.00 C ATOM 1247 NH1 ARG A 77 22.244 44.131 -7.546 1.00 0.00 N ATOM 1248 NH2 ARG A 77 22.231 42.043 -8.403 1.00 0.00 N ATOM 0 H ARG A 77 24.320 46.172 -10.776 1.00 0.00 H new ATOM 0 HA ARG A 77 24.560 48.130 -8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 77 26.295 45.702 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 77 26.354 46.572 -7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.901 46.095 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 77 23.868 45.196 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 77 26.056 44.054 -7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 77 24.906 44.364 -6.374 1.00 0.00 H new ATOM 0 HE ARG A 77 24.681 42.163 -8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.755 44.930 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.226 44.159 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.732 41.206 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.213 42.075 -8.460 1.00 0.00 H new ATOM 1262 N GLN A 78 27.340 47.847 -10.508 1.00 0.00 N ATOM 1263 CA GLN A 78 28.524 48.638 -10.949 1.00 0.00 C ATOM 1264 C GLN A 78 28.166 49.440 -12.202 1.00 0.00 C ATOM 1265 O GLN A 78 28.718 49.231 -13.264 1.00 0.00 O ATOM 1266 CB GLN A 78 29.684 47.691 -11.263 1.00 0.00 C ATOM 1267 CG GLN A 78 29.174 46.525 -12.113 1.00 0.00 C ATOM 1268 CD GLN A 78 30.363 45.761 -12.698 1.00 0.00 C ATOM 1269 OE1 GLN A 78 30.485 45.633 -13.900 1.00 0.00 O ATOM 1270 NE2 GLN A 78 31.252 45.244 -11.894 1.00 0.00 N ATOM 0 H GLN A 78 27.354 46.861 -10.770 1.00 0.00 H new ATOM 0 HA GLN A 78 28.819 49.322 -10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 78 30.471 48.226 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 78 30.122 47.316 -10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 78 28.563 45.858 -11.505 1.00 0.00 H new ATOM 0 HG3 GLN A 78 28.537 46.897 -12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 78 31.150 45.351 -10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 78 32.048 44.733 -12.275 1.00 0.00 H new ATOM 1279 N CYS A 79 27.246 50.358 -12.088 1.00 0.00 N ATOM 1280 CA CYS A 79 26.856 51.172 -13.273 1.00 0.00 C ATOM 1281 C CYS A 79 25.939 52.314 -12.830 1.00 0.00 C ATOM 1282 O CYS A 79 25.632 53.208 -13.592 1.00 0.00 O ATOM 1283 CB CYS A 79 26.119 50.287 -14.280 1.00 0.00 C ATOM 1284 SG CYS A 79 25.553 51.297 -15.671 1.00 0.00 S ATOM 0 H CYS A 79 26.748 50.579 -11.226 1.00 0.00 H new ATOM 0 HA CYS A 79 27.750 51.585 -13.739 1.00 0.00 H new ATOM 0 HB2 CYS A 79 26.779 49.496 -14.636 1.00 0.00 H new ATOM 0 HB3 CYS A 79 25.269 49.801 -13.800 1.00 0.00 H new ATOM 0 HG CYS A 79 25.394 52.526 -15.278 1.00 0.00 H new ATOM 1290 N GLY A 80 25.500 52.292 -11.601 1.00 0.00 N ATOM 1291 CA GLY A 80 24.604 53.377 -11.111 1.00 0.00 C ATOM 1292 C GLY A 80 24.421 53.247 -9.598 1.00 0.00 C ATOM 1293 O GLY A 80 24.394 54.270 -8.935 1.00 0.00 O ATOM 1294 OXT GLY A 80 24.311 52.126 -9.129 1.00 0.00 O ATOM 0 H GLY A 80 25.723 51.570 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.029 54.351 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.637 53.318 -11.611 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 4.491 18.528 11.606 1.00 6.48 N ATOM 1300 CA GLY B 1 5.738 18.208 10.779 1.00 5.73 C ATOM 1301 C GLY B 1 6.202 16.797 10.656 1.00 4.94 C ATOM 1302 O GLY B 1 5.988 15.984 11.533 1.00 5.12 O ATOM 0 H1 GLY B 1 4.313 19.552 11.584 1.00 6.48 H new ATOM 0 H2 GLY B 1 3.672 18.026 11.208 1.00 6.48 H new ATOM 0 H3 GLY B 1 4.639 18.223 12.589 1.00 6.48 H new ATOM 0 HA2 GLY B 1 5.564 18.582 9.770 1.00 5.73 H new ATOM 0 HA3 GLY B 1 6.562 18.786 11.196 1.00 5.73 H new ATOM 1308 N SER B 2 6.849 16.468 9.571 1.00 4.43 N ATOM 1309 CA SER B 2 7.343 15.074 9.388 1.00 3.98 C ATOM 1310 C SER B 2 8.032 14.924 8.015 1.00 2.98 C ATOM 1311 O SER B 2 9.149 14.451 7.960 1.00 3.23 O ATOM 1312 CB SER B 2 6.175 14.071 9.525 1.00 4.81 C ATOM 1313 OG SER B 2 6.116 13.238 8.372 1.00 5.35 O ATOM 0 H SER B 2 7.057 17.106 8.803 1.00 4.43 H new ATOM 0 HA SER B 2 8.077 14.857 10.164 1.00 3.98 H new ATOM 0 HB2 SER B 2 6.310 13.462 10.419 1.00 4.81 H new ATOM 0 HB3 SER B 2 5.234 14.608 9.645 1.00 4.81 H new ATOM 0 HG SER B 2 5.375 12.603 8.465 1.00 5.35 H new ATOM 1319 N PRO B 3 7.373 15.318 6.936 1.00 2.36 N ATOM 1320 CA PRO B 3 7.982 15.195 5.598 1.00 2.03 C ATOM 1321 C PRO B 3 9.251 16.055 5.526 1.00 1.67 C ATOM 1322 O PRO B 3 10.330 15.568 5.253 1.00 2.17 O ATOM 1323 CB PRO B 3 6.899 15.694 4.612 1.00 2.59 C ATOM 1324 CG PRO B 3 5.654 16.102 5.452 1.00 2.98 C ATOM 1325 CD PRO B 3 6.009 15.901 6.944 1.00 2.84 C ATOM 0 HA PRO B 3 8.284 14.174 5.363 1.00 2.03 H new ATOM 0 HB2 PRO B 3 7.267 16.542 4.035 1.00 2.59 H new ATOM 0 HB3 PRO B 3 6.640 14.912 3.898 1.00 2.59 H new ATOM 0 HG2 PRO B 3 5.386 17.141 5.259 1.00 2.98 H new ATOM 0 HG3 PRO B 3 4.792 15.494 5.178 1.00 2.98 H new ATOM 0 HD2 PRO B 3 5.986 16.846 7.486 1.00 2.84 H new ATOM 0 HD3 PRO B 3 5.298 15.236 7.433 1.00 2.84 H new ATOM 1333 N LEU B 4 9.124 17.327 5.773 1.00 1.47 N ATOM 1334 CA LEU B 4 10.315 18.222 5.724 1.00 1.38 C ATOM 1335 C LEU B 4 11.104 18.085 7.028 1.00 1.11 C ATOM 1336 O LEU B 4 10.964 18.881 7.935 1.00 1.29 O ATOM 1337 CB LEU B 4 9.858 19.673 5.553 1.00 1.71 C ATOM 1338 CG LEU B 4 8.795 19.759 4.452 1.00 2.15 C ATOM 1339 CD1 LEU B 4 8.328 21.209 4.308 1.00 2.81 C ATOM 1340 CD2 LEU B 4 9.391 19.279 3.123 1.00 2.82 C ATOM 0 H LEU B 4 8.245 17.788 6.008 1.00 1.47 H new ATOM 0 HA LEU B 4 10.948 17.941 4.882 1.00 1.38 H new ATOM 0 HB2 LEU B 4 9.452 20.049 6.492 1.00 1.71 H new ATOM 0 HB3 LEU B 4 10.710 20.304 5.298 1.00 1.71 H new ATOM 0 HG LEU B 4 7.947 19.127 4.717 1.00 2.15 H new ATOM 0 HD11 LEU B 4 7.572 21.272 3.525 1.00 2.81 H new ATOM 0 HD12 LEU B 4 7.902 21.550 5.252 1.00 2.81 H new ATOM 0 HD13 LEU B 4 9.177 21.840 4.044 1.00 2.81 H new ATOM 0 HD21 LEU B 4 8.634 19.341 2.341 1.00 2.82 H new ATOM 0 HD22 LEU B 4 10.240 19.909 2.856 1.00 2.82 H new ATOM 0 HD23 LEU B 4 9.723 18.246 3.225 1.00 2.82 H new ATOM 1352 N GLY B 5 11.930 17.079 7.131 1.00 0.96 N ATOM 1353 CA GLY B 5 12.725 16.889 8.379 1.00 0.91 C ATOM 1354 C GLY B 5 13.956 17.795 8.349 1.00 0.71 C ATOM 1355 O GLY B 5 14.212 18.541 9.273 1.00 0.79 O ATOM 0 H GLY B 5 12.089 16.380 6.405 1.00 0.96 H new ATOM 0 HA2 GLY B 5 12.113 17.120 9.250 1.00 0.91 H new ATOM 0 HA3 GLY B 5 13.031 15.847 8.472 1.00 0.91 H new ATOM 1359 N GLN B 6 14.724 17.735 7.295 1.00 0.61 N ATOM 1360 CA GLN B 6 15.940 18.592 7.208 1.00 0.58 C ATOM 1361 C GLN B 6 15.578 20.035 7.563 1.00 0.45 C ATOM 1362 O GLN B 6 16.385 20.775 8.087 1.00 0.53 O ATOM 1363 CB GLN B 6 16.495 18.543 5.782 1.00 0.73 C ATOM 1364 CG GLN B 6 17.916 19.109 5.764 1.00 0.92 C ATOM 1365 CD GLN B 6 18.504 18.962 4.360 1.00 1.60 C ATOM 1366 OE1 GLN B 6 17.801 18.636 3.425 1.00 2.37 O ATOM 1367 NE2 GLN B 6 19.775 19.191 4.171 1.00 2.15 N ATOM 0 H GLN B 6 14.562 17.129 6.491 1.00 0.61 H new ATOM 0 HA GLN B 6 16.692 18.225 7.907 1.00 0.58 H new ATOM 0 HB2 GLN B 6 16.497 17.516 5.417 1.00 0.73 H new ATOM 0 HB3 GLN B 6 15.855 19.118 5.112 1.00 0.73 H new ATOM 0 HG2 GLN B 6 17.905 20.159 6.057 1.00 0.92 H new ATOM 0 HG3 GLN B 6 18.538 18.582 6.488 1.00 0.92 H new ATOM 0 HE21 GLN B 6 20.366 19.465 4.956 1.00 2.15 H new ATOM 0 HE22 GLN B 6 20.177 19.096 3.238 1.00 2.15 H new ATOM 1376 N ASP B 7 14.373 20.440 7.276 1.00 0.40 N ATOM 1377 CA ASP B 7 13.959 21.837 7.590 1.00 0.38 C ATOM 1378 C ASP B 7 14.011 22.068 9.101 1.00 0.33 C ATOM 1379 O ASP B 7 14.656 22.980 9.579 1.00 0.39 O ATOM 1380 CB ASP B 7 12.530 22.066 7.091 1.00 0.48 C ATOM 1381 CG ASP B 7 12.236 23.566 7.046 1.00 1.12 C ATOM 1382 OD1 ASP B 7 13.056 24.326 7.534 1.00 1.78 O ATOM 1383 OD2 ASP B 7 11.195 23.930 6.524 1.00 1.86 O ATOM 0 H ASP B 7 13.655 19.864 6.837 1.00 0.40 H new ATOM 0 HA ASP B 7 14.638 22.532 7.097 1.00 0.38 H new ATOM 0 HB2 ASP B 7 12.406 21.631 6.099 1.00 0.48 H new ATOM 0 HB3 ASP B 7 11.820 21.566 7.749 1.00 0.48 H new ATOM 1388 N VAL B 8 13.329 21.254 9.853 1.00 0.33 N ATOM 1389 CA VAL B 8 13.328 21.429 11.333 1.00 0.39 C ATOM 1390 C VAL B 8 14.767 21.534 11.842 1.00 0.36 C ATOM 1391 O VAL B 8 15.089 22.386 12.644 1.00 0.48 O ATOM 1392 CB VAL B 8 12.635 20.235 11.993 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.268 20.592 13.435 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.364 19.891 11.215 1.00 1.19 C ATOM 0 H VAL B 8 12.771 20.473 9.508 1.00 0.33 H new ATOM 0 HA VAL B 8 12.790 22.343 11.585 1.00 0.39 H new ATOM 0 HB VAL B 8 13.307 19.377 11.990 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.774 19.742 13.906 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.173 20.839 13.990 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.595 21.449 13.438 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.869 19.041 11.684 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.692 20.749 11.219 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.624 19.638 10.187 1.00 1.19 H new ATOM 1404 N PHE B 9 15.641 20.679 11.385 1.00 0.28 N ATOM 1405 CA PHE B 9 17.058 20.746 11.850 1.00 0.27 C ATOM 1406 C PHE B 9 17.544 22.195 11.770 1.00 0.25 C ATOM 1407 O PHE B 9 18.310 22.650 12.597 1.00 0.32 O ATOM 1408 CB PHE B 9 17.928 19.853 10.959 1.00 0.26 C ATOM 1409 CG PHE B 9 19.246 19.591 11.643 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.317 20.470 11.452 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.397 18.472 12.470 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.538 20.230 12.088 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.620 18.234 13.107 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.690 19.115 12.914 1.00 0.20 C ATOM 0 H PHE B 9 15.438 19.940 10.713 1.00 0.28 H new ATOM 0 HA PHE B 9 17.128 20.398 12.881 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.416 18.911 10.759 1.00 0.26 H new ATOM 0 HB3 PHE B 9 18.096 20.335 9.996 1.00 0.26 H new ATOM 0 HD1 PHE B 9 20.201 21.333 10.814 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.570 17.793 12.616 1.00 0.18 H new ATOM 0 HE1 PHE B 9 22.365 20.908 11.940 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.738 17.372 13.747 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.635 18.932 13.405 1.00 0.20 H new ATOM 1424 N LEU B 10 17.087 22.929 10.793 1.00 0.23 N ATOM 1425 CA LEU B 10 17.506 24.352 10.679 1.00 0.23 C ATOM 1426 C LEU B 10 16.714 25.174 11.695 1.00 0.24 C ATOM 1427 O LEU B 10 17.214 26.123 12.267 1.00 0.28 O ATOM 1428 CB LEU B 10 17.221 24.864 9.265 1.00 0.25 C ATOM 1429 CG LEU B 10 17.783 23.877 8.237 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.615 24.455 6.831 1.00 0.30 C ATOM 1431 CD2 LEU B 10 19.272 23.629 8.514 1.00 0.23 C ATOM 0 H LEU B 10 16.443 22.605 10.071 1.00 0.23 H new ATOM 0 HA LEU B 10 18.574 24.443 10.876 1.00 0.23 H new ATOM 0 HB2 LEU B 10 16.147 24.983 9.120 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.672 25.846 9.125 1.00 0.25 H new ATOM 0 HG LEU B 10 17.242 22.934 8.311 1.00 0.24 H new ATOM 0 HD11 LEU B 10 18.015 23.753 6.099 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.557 24.624 6.631 1.00 0.30 H new ATOM 0 HD13 LEU B 10 18.154 25.400 6.759 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.667 22.926 7.780 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.817 24.571 8.444 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.392 23.214 9.515 1.00 0.23 H new ATOM 1443 N ASP B 11 15.483 24.809 11.935 1.00 0.23 N ATOM 1444 CA ASP B 11 14.670 25.564 12.929 1.00 0.25 C ATOM 1445 C ASP B 11 15.424 25.592 14.259 1.00 0.22 C ATOM 1446 O ASP B 11 15.673 26.639 14.820 1.00 0.30 O ATOM 1447 CB ASP B 11 13.310 24.883 13.118 1.00 0.30 C ATOM 1448 CG ASP B 11 12.519 24.948 11.810 1.00 0.97 C ATOM 1449 OD1 ASP B 11 13.126 25.214 10.786 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.319 24.730 11.855 1.00 1.67 O ATOM 0 H ASP B 11 15.008 24.025 11.488 1.00 0.23 H new ATOM 0 HA ASP B 11 14.505 26.581 12.574 1.00 0.25 H new ATOM 0 HB2 ASP B 11 13.450 23.845 13.419 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.754 25.374 13.916 1.00 0.30 H new ATOM 1455 N TYR B 12 15.803 24.447 14.765 1.00 0.17 N ATOM 1456 CA TYR B 12 16.554 24.416 16.049 1.00 0.15 C ATOM 1457 C TYR B 12 17.770 25.333 15.931 1.00 0.16 C ATOM 1458 O TYR B 12 17.992 26.202 16.750 1.00 0.23 O ATOM 1459 CB TYR B 12 17.022 22.982 16.339 1.00 0.14 C ATOM 1460 CG TYR B 12 15.828 22.088 16.625 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.981 22.363 17.708 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.570 20.979 15.807 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.883 21.533 17.969 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.473 20.151 16.069 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.630 20.428 17.150 1.00 0.27 C ATOM 1466 OH TYR B 12 12.548 19.611 17.409 1.00 0.32 O ATOM 0 H TYR B 12 15.624 23.536 14.344 1.00 0.17 H new ATOM 0 HA TYR B 12 15.910 24.754 16.861 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.580 22.594 15.486 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.701 22.979 17.192 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.175 23.216 18.342 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.220 20.763 14.972 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.231 21.747 18.803 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.277 19.298 15.436 1.00 0.24 H new ATOM 0 HH TYR B 12 12.516 18.891 16.745 1.00 0.32 H new ATOM 1476 N CYS B 13 18.556 25.145 14.909 1.00 0.19 N ATOM 1477 CA CYS B 13 19.758 26.000 14.717 1.00 0.24 C ATOM 1478 C CYS B 13 19.368 27.470 14.870 1.00 0.26 C ATOM 1479 O CYS B 13 20.064 28.246 15.494 1.00 0.33 O ATOM 1480 CB CYS B 13 20.322 25.764 13.315 1.00 0.30 C ATOM 1481 SG CYS B 13 21.202 24.184 13.275 1.00 1.27 S ATOM 0 H CYS B 13 18.416 24.431 14.194 1.00 0.19 H new ATOM 0 HA CYS B 13 20.512 25.748 15.463 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.515 25.761 12.583 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.997 26.575 13.042 1.00 0.30 H new ATOM 0 HG CYS B 13 22.127 24.179 14.189 1.00 1.27 H new ATOM 1487 N GLN B 14 18.259 27.858 14.305 1.00 0.24 N ATOM 1488 CA GLN B 14 17.826 29.275 14.418 1.00 0.27 C ATOM 1489 C GLN B 14 17.834 29.684 15.891 1.00 0.24 C ATOM 1490 O GLN B 14 18.502 30.620 16.280 1.00 0.29 O ATOM 1491 CB GLN B 14 16.415 29.427 13.846 1.00 0.32 C ATOM 1492 CG GLN B 14 16.085 30.911 13.687 1.00 0.62 C ATOM 1493 CD GLN B 14 14.776 31.063 12.910 1.00 0.88 C ATOM 1494 OE1 GLN B 14 14.703 31.818 11.962 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.731 30.371 13.274 1.00 1.44 N ATOM 0 H GLN B 14 17.635 27.254 13.770 1.00 0.24 H new ATOM 0 HA GLN B 14 18.508 29.915 13.858 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.346 28.923 12.882 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.690 28.951 14.507 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.996 31.381 14.666 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.893 31.420 13.162 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.792 29.736 14.070 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.854 30.465 12.762 1.00 1.44 H new ATOM 1504 N LYS B 15 17.109 28.987 16.720 1.00 0.23 N ATOM 1505 CA LYS B 15 17.096 29.342 18.166 1.00 0.23 C ATOM 1506 C LYS B 15 18.541 29.466 18.657 1.00 0.20 C ATOM 1507 O LYS B 15 18.937 30.472 19.212 1.00 0.23 O ATOM 1508 CB LYS B 15 16.374 28.246 18.949 1.00 0.24 C ATOM 1509 CG LYS B 15 14.900 28.215 18.539 1.00 0.55 C ATOM 1510 CD LYS B 15 14.246 26.938 19.074 1.00 1.19 C ATOM 1511 CE LYS B 15 14.266 26.948 20.606 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.264 25.973 21.120 1.00 2.21 N ATOM 0 H LYS B 15 16.527 28.190 16.461 1.00 0.23 H new ATOM 0 HA LYS B 15 16.577 30.289 18.315 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.837 27.279 18.754 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.461 28.431 20.020 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.384 29.092 18.931 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.813 28.253 17.453 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.219 26.866 18.715 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.776 26.062 18.700 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.261 26.690 20.969 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.041 27.948 20.977 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.276 25.978 22.160 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.317 26.239 20.783 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.499 25.020 20.776 1.00 2.21 H new ATOM 1526 N LEU B 16 19.334 28.452 18.440 1.00 0.18 N ATOM 1527 CA LEU B 16 20.758 28.504 18.873 1.00 0.17 C ATOM 1528 C LEU B 16 21.390 29.791 18.327 1.00 0.18 C ATOM 1529 O LEU B 16 22.343 30.312 18.870 1.00 0.23 O ATOM 1530 CB LEU B 16 21.489 27.261 18.305 1.00 0.15 C ATOM 1531 CG LEU B 16 22.397 26.625 19.370 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.545 25.935 20.461 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.318 25.607 18.686 1.00 0.18 C ATOM 0 H LEU B 16 19.054 27.586 17.979 1.00 0.18 H new ATOM 0 HA LEU B 16 20.836 28.502 19.960 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.758 26.530 17.961 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.084 27.549 17.438 1.00 0.15 H new ATOM 0 HG LEU B 16 22.997 27.397 19.851 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.202 25.489 21.208 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.900 26.672 20.939 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.932 25.157 20.006 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.969 25.147 19.430 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.715 24.836 18.205 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.926 26.113 17.936 1.00 0.18 H new ATOM 1545 N LEU B 17 20.864 30.294 17.245 1.00 0.17 N ATOM 1546 CA LEU B 17 21.418 31.534 16.637 1.00 0.19 C ATOM 1547 C LEU B 17 20.839 32.769 17.339 1.00 0.22 C ATOM 1548 O LEU B 17 21.538 33.721 17.621 1.00 0.30 O ATOM 1549 CB LEU B 17 21.036 31.559 15.149 1.00 0.19 C ATOM 1550 CG LEU B 17 21.975 32.503 14.370 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.240 31.745 13.947 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.269 33.024 13.109 1.00 0.33 C ATOM 0 H LEU B 17 20.066 29.894 16.752 1.00 0.17 H new ATOM 0 HA LEU B 17 22.502 31.547 16.748 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.096 30.553 14.734 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.003 31.889 15.037 1.00 0.19 H new ATOM 0 HG LEU B 17 22.241 33.340 15.016 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.900 32.416 13.397 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.756 31.375 14.833 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.965 30.905 13.310 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.939 33.690 12.565 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.996 32.183 12.471 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.369 33.569 13.395 1.00 0.33 H new ATOM 1564 N GLU B 18 19.563 32.761 17.603 1.00 0.20 N ATOM 1565 CA GLU B 18 18.923 33.935 18.267 1.00 0.24 C ATOM 1566 C GLU B 18 19.460 34.093 19.689 1.00 0.22 C ATOM 1567 O GLU B 18 19.975 35.129 20.059 1.00 0.26 O ATOM 1568 CB GLU B 18 17.409 33.723 18.338 1.00 0.30 C ATOM 1569 CG GLU B 18 16.853 33.431 16.942 1.00 1.05 C ATOM 1570 CD GLU B 18 16.755 34.731 16.141 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.723 35.376 16.220 1.00 2.29 O ATOM 1572 OE2 GLU B 18 17.714 35.057 15.460 1.00 2.17 O ATOM 0 H GLU B 18 18.931 31.990 17.387 1.00 0.20 H new ATOM 0 HA GLU B 18 19.151 34.830 17.688 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.181 32.895 19.009 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.929 34.610 18.751 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.499 32.722 16.424 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.870 32.967 17.022 1.00 1.05 H new ATOM 1579 N LYS B 19 19.324 33.078 20.494 1.00 0.19 N ATOM 1580 CA LYS B 19 19.801 33.164 21.895 1.00 0.20 C ATOM 1581 C LYS B 19 21.212 33.756 21.936 1.00 0.19 C ATOM 1582 O LYS B 19 21.470 34.711 22.642 1.00 0.26 O ATOM 1583 CB LYS B 19 19.797 31.755 22.490 1.00 0.21 C ATOM 1584 CG LYS B 19 18.384 31.405 22.964 1.00 0.29 C ATOM 1585 CD LYS B 19 18.279 29.901 23.210 1.00 0.33 C ATOM 1586 CE LYS B 19 19.215 29.489 24.352 1.00 0.95 C ATOM 1587 NZ LYS B 19 20.608 29.369 23.836 1.00 1.68 N ATOM 0 H LYS B 19 18.899 32.187 20.237 1.00 0.19 H new ATOM 0 HA LYS B 19 19.146 33.814 22.475 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.131 31.033 21.745 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.496 31.699 23.324 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.152 31.950 23.879 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.653 31.712 22.216 1.00 0.29 H new ATOM 0 HD2 LYS B 19 17.251 29.636 23.458 1.00 0.33 H new ATOM 0 HD3 LYS B 19 18.539 29.357 22.302 1.00 0.33 H new ATOM 0 HE2 LYS B 19 19.175 30.227 25.153 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.891 28.539 24.777 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 20.998 28.442 24.101 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 20.603 29.459 22.800 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 21.196 30.122 24.246 1.00 1.68 H new ATOM 1601 N PHE B 20 22.125 33.213 21.183 1.00 0.15 N ATOM 1602 CA PHE B 20 23.501 33.765 21.182 1.00 0.15 C ATOM 1603 C PHE B 20 23.523 35.002 20.285 1.00 0.16 C ATOM 1604 O PHE B 20 24.548 35.621 20.076 1.00 0.25 O ATOM 1605 CB PHE B 20 24.458 32.712 20.640 1.00 0.14 C ATOM 1606 CG PHE B 20 24.590 31.584 21.638 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.555 30.648 21.765 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.742 31.466 22.432 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.668 29.598 22.682 1.00 0.14 C ATOM 1610 CE2 PHE B 20 25.852 30.413 23.349 1.00 0.15 C ATOM 1611 CZ PHE B 20 24.816 29.480 23.473 1.00 0.14 C ATOM 0 H PHE B 20 21.976 32.412 20.570 1.00 0.15 H new ATOM 0 HA PHE B 20 23.807 34.038 22.192 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.091 32.328 19.688 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.434 33.158 20.448 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.669 30.737 21.154 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.542 32.186 22.336 1.00 0.14 H new ATOM 0 HE1 PHE B 20 22.869 28.878 22.780 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.737 30.321 23.961 1.00 0.15 H new ATOM 0 HZ PHE B 20 24.903 28.668 24.180 1.00 0.14 H new ATOM 1621 N ARG B 21 22.383 35.367 19.763 1.00 0.15 N ATOM 1622 CA ARG B 21 22.300 36.569 18.884 1.00 0.17 C ATOM 1623 C ARG B 21 23.405 36.544 17.819 1.00 0.14 C ATOM 1624 O ARG B 21 24.022 37.552 17.539 1.00 0.18 O ATOM 1625 CB ARG B 21 22.452 37.828 19.739 1.00 0.23 C ATOM 1626 CG ARG B 21 21.356 37.856 20.806 1.00 0.58 C ATOM 1627 CD ARG B 21 21.701 38.904 21.866 1.00 1.16 C ATOM 1628 NE ARG B 21 20.501 39.171 22.706 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.628 39.797 23.844 1.00 2.62 C ATOM 1630 NH1 ARG B 21 21.808 40.181 24.249 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.577 40.036 24.579 1.00 3.56 N ATOM 0 H ARG B 21 21.499 34.880 19.909 1.00 0.15 H new ATOM 0 HA ARG B 21 21.333 36.568 18.382 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.434 37.843 20.211 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.386 38.717 19.111 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.394 38.089 20.349 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.259 36.874 21.269 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.523 38.551 22.489 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.036 39.824 21.388 1.00 1.16 H new ATOM 0 HE ARG B 21 19.580 38.865 22.392 1.00 1.87 H new ATOM 0 HH11 ARG B 21 22.630 39.992 23.676 1.00 2.94 H new ATOM 0 HH12 ARG B 21 21.908 40.670 25.138 1.00 2.94 H new ATOM 0 HH21 ARG B 21 18.655 39.733 24.264 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.677 40.525 25.468 1.00 3.56 H new ATOM 1645 N TYR B 22 23.660 35.411 17.212 1.00 0.14 N ATOM 1646 CA TYR B 22 24.723 35.357 16.161 1.00 0.13 C ATOM 1647 C TYR B 22 24.117 35.822 14.813 1.00 0.15 C ATOM 1648 O TYR B 22 22.933 35.652 14.601 1.00 0.16 O ATOM 1649 CB TYR B 22 25.213 33.905 16.003 1.00 0.12 C ATOM 1650 CG TYR B 22 26.288 33.555 17.027 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.464 34.323 17.143 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.111 32.437 17.857 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.442 33.969 18.081 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.092 32.089 18.792 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.256 32.855 18.904 1.00 0.18 C ATOM 1656 OH TYR B 22 29.222 32.510 19.825 1.00 0.21 O ATOM 0 H TYR B 22 23.183 34.529 17.396 1.00 0.14 H new ATOM 0 HA TYR B 22 25.555 36.000 16.448 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.370 33.223 16.114 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.609 33.762 14.997 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.611 35.185 16.509 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.213 31.842 17.774 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.343 34.559 18.169 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.950 31.228 19.428 1.00 0.17 H new ATOM 0 HH TYR B 22 28.879 32.659 20.731 1.00 0.21 H new ATOM 1666 N PRO B 23 24.933 36.364 13.918 1.00 0.16 N ATOM 1667 CA PRO B 23 24.440 36.799 12.595 1.00 0.18 C ATOM 1668 C PRO B 23 23.932 35.580 11.805 1.00 0.19 C ATOM 1669 O PRO B 23 24.040 34.454 12.245 1.00 0.19 O ATOM 1670 CB PRO B 23 25.663 37.439 11.897 1.00 0.19 C ATOM 1671 CG PRO B 23 26.895 37.192 12.810 1.00 0.17 C ATOM 1672 CD PRO B 23 26.378 36.597 14.140 1.00 0.15 C ATOM 0 HA PRO B 23 23.610 37.502 12.667 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.819 36.997 10.913 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.504 38.507 11.746 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.596 36.508 12.331 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.431 38.124 12.990 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.895 35.669 14.385 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.544 37.283 14.971 1.00 0.15 H new ATOM 1680 N TRP B 24 23.382 35.808 10.643 1.00 0.22 N ATOM 1681 CA TRP B 24 22.859 34.678 9.814 1.00 0.24 C ATOM 1682 C TRP B 24 24.009 33.968 9.090 1.00 0.25 C ATOM 1683 O TRP B 24 23.841 32.888 8.558 1.00 0.34 O ATOM 1684 CB TRP B 24 21.867 35.230 8.782 1.00 0.28 C ATOM 1685 CG TRP B 24 21.455 34.141 7.839 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.951 33.966 6.592 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.477 33.079 8.043 1.00 0.35 C ATOM 1688 NE1 TRP B 24 21.340 32.866 6.018 1.00 1.68 N ATOM 1689 CE2 TRP B 24 20.424 32.285 6.872 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.640 32.731 9.118 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.571 31.186 6.772 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.780 31.625 9.020 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.746 30.853 7.850 1.00 0.63 C ATOM 0 H TRP B 24 23.271 36.733 10.228 1.00 0.22 H new ATOM 0 HA TRP B 24 22.360 33.960 10.465 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.991 35.636 9.288 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.324 36.050 8.228 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.701 34.584 6.122 1.00 1.45 H new ATOM 0 HE1 TRP B 24 21.542 32.525 5.078 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.659 33.318 10.025 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 19.548 30.596 5.868 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.141 31.367 9.851 1.00 1.15 H new ATOM 0 HH2 TRP B 24 18.084 30.003 7.782 1.00 0.63 H new ATOM 1704 N GLU B 25 25.166 34.564 9.044 1.00 0.21 N ATOM 1705 CA GLU B 25 26.305 33.916 8.329 1.00 0.24 C ATOM 1706 C GLU B 25 26.871 32.750 9.149 1.00 0.21 C ATOM 1707 O GLU B 25 27.624 31.943 8.641 1.00 0.24 O ATOM 1708 CB GLU B 25 27.409 34.949 8.092 1.00 0.31 C ATOM 1709 CG GLU B 25 28.552 34.303 7.306 1.00 1.20 C ATOM 1710 CD GLU B 25 29.474 35.392 6.753 1.00 1.43 C ATOM 1711 OE1 GLU B 25 29.008 36.185 5.952 1.00 1.86 O ATOM 1712 OE2 GLU B 25 30.630 35.414 7.141 1.00 1.99 O ATOM 0 H GLU B 25 25.375 35.468 9.468 1.00 0.21 H new ATOM 0 HA GLU B 25 25.942 33.529 7.377 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.012 35.802 7.542 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.778 35.328 9.045 1.00 0.31 H new ATOM 0 HG2 GLU B 25 29.115 33.629 7.951 1.00 1.20 H new ATOM 0 HG3 GLU B 25 28.151 33.702 6.489 1.00 1.20 H new ATOM 1719 N LEU B 26 26.537 32.657 10.413 1.00 0.16 N ATOM 1720 CA LEU B 26 27.086 31.542 11.255 1.00 0.15 C ATOM 1721 C LEU B 26 26.086 30.390 11.358 1.00 0.15 C ATOM 1722 O LEU B 26 26.078 29.659 12.328 1.00 0.19 O ATOM 1723 CB LEU B 26 27.381 32.061 12.661 1.00 0.13 C ATOM 1724 CG LEU B 26 28.142 33.385 12.587 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.665 33.729 13.980 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.324 33.262 11.615 1.00 0.14 C ATOM 0 H LEU B 26 25.911 33.300 10.898 1.00 0.16 H new ATOM 0 HA LEU B 26 27.999 31.179 10.783 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.449 32.199 13.208 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.968 31.326 13.212 1.00 0.13 H new ATOM 0 HG LEU B 26 27.474 34.169 12.231 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.210 34.672 13.941 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.827 33.823 14.670 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.332 32.938 14.324 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.859 34.211 11.570 1.00 0.14 H new ATOM 0 HD22 LEU B 26 30.000 32.480 11.961 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.954 33.007 10.622 1.00 0.14 H new ATOM 1738 N MET B 27 25.252 30.204 10.376 1.00 0.15 N ATOM 1739 CA MET B 27 24.285 29.081 10.452 1.00 0.17 C ATOM 1740 C MET B 27 25.013 27.718 10.295 1.00 0.14 C ATOM 1741 O MET B 27 24.640 26.771 10.960 1.00 0.19 O ATOM 1742 CB MET B 27 23.192 29.254 9.374 1.00 0.20 C ATOM 1743 CG MET B 27 22.040 30.100 9.929 1.00 0.39 C ATOM 1744 SD MET B 27 21.078 29.111 11.097 1.00 1.31 S ATOM 1745 CE MET B 27 19.963 28.367 9.884 1.00 0.45 C ATOM 0 H MET B 27 25.199 30.775 9.533 1.00 0.15 H new ATOM 0 HA MET B 27 23.809 29.091 11.432 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.613 29.733 8.490 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.820 28.278 9.061 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.432 30.988 10.424 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.402 30.444 9.115 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.988 28.851 9.941 1.00 0.45 H new ATOM 0 HE2 MET B 27 20.375 28.497 8.883 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.852 27.303 10.096 1.00 0.45 H new ATOM 1755 N PRO B 28 26.027 27.626 9.438 1.00 0.09 N ATOM 1756 CA PRO B 28 26.759 26.350 9.249 1.00 0.09 C ATOM 1757 C PRO B 28 27.388 25.883 10.570 1.00 0.09 C ATOM 1758 O PRO B 28 27.576 24.705 10.791 1.00 0.14 O ATOM 1759 CB PRO B 28 27.838 26.672 8.189 1.00 0.10 C ATOM 1760 CG PRO B 28 27.476 28.055 7.591 1.00 0.12 C ATOM 1761 CD PRO B 28 26.526 28.735 8.590 1.00 0.12 C ATOM 0 HA PRO B 28 26.107 25.538 8.928 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.830 26.693 8.641 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.858 25.908 7.412 1.00 0.10 H new ATOM 0 HG2 PRO B 28 28.372 28.657 7.438 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.998 27.942 6.618 1.00 0.12 H new ATOM 0 HD2 PRO B 28 27.046 29.487 9.184 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.708 29.243 8.078 1.00 0.12 H new ATOM 1769 N LEU B 29 27.713 26.786 11.450 1.00 0.10 N ATOM 1770 CA LEU B 29 28.319 26.363 12.744 1.00 0.09 C ATOM 1771 C LEU B 29 27.209 25.843 13.659 1.00 0.10 C ATOM 1772 O LEU B 29 27.357 24.831 14.316 1.00 0.16 O ATOM 1773 CB LEU B 29 29.033 27.549 13.392 1.00 0.08 C ATOM 1774 CG LEU B 29 29.891 28.260 12.339 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.706 29.368 13.010 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.839 27.248 11.675 1.00 0.09 C ATOM 0 H LEU B 29 27.587 27.791 11.332 1.00 0.10 H new ATOM 0 HA LEU B 29 29.050 25.572 12.575 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.304 28.242 13.812 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.658 27.206 14.216 1.00 0.08 H new ATOM 0 HG LEU B 29 29.244 28.697 11.578 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.317 29.874 12.262 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.030 30.087 13.474 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.352 28.933 13.772 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.448 27.756 10.927 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.488 26.806 12.432 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.255 26.463 11.195 1.00 0.09 H new ATOM 1788 N MET B 30 26.087 26.510 13.687 1.00 0.10 N ATOM 1789 CA MET B 30 24.960 26.036 14.534 1.00 0.12 C ATOM 1790 C MET B 30 24.485 24.693 13.980 1.00 0.10 C ATOM 1791 O MET B 30 23.800 23.936 14.637 1.00 0.13 O ATOM 1792 CB MET B 30 23.813 27.049 14.461 1.00 0.16 C ATOM 1793 CG MET B 30 24.118 28.237 15.370 1.00 0.19 C ATOM 1794 SD MET B 30 25.717 28.953 14.909 1.00 1.23 S ATOM 1795 CE MET B 30 26.350 29.223 16.582 1.00 0.22 C ATOM 0 H MET B 30 25.904 27.363 13.159 1.00 0.10 H new ATOM 0 HA MET B 30 25.279 25.929 15.571 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.680 27.389 13.434 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.878 26.577 14.764 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.332 28.987 15.282 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.137 27.916 16.412 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.228 29.868 16.539 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.580 29.698 17.190 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.624 28.266 17.026 1.00 0.22 H new ATOM 1805 N TYR B 31 24.846 24.409 12.760 1.00 0.08 N ATOM 1806 CA TYR B 31 24.426 23.132 12.122 1.00 0.08 C ATOM 1807 C TYR B 31 25.302 21.979 12.628 1.00 0.08 C ATOM 1808 O TYR B 31 24.807 20.937 13.012 1.00 0.09 O ATOM 1809 CB TYR B 31 24.568 23.277 10.601 1.00 0.09 C ATOM 1810 CG TYR B 31 24.371 21.943 9.926 1.00 0.09 C ATOM 1811 CD1 TYR B 31 23.092 21.540 9.529 1.00 0.10 C ATOM 1812 CD2 TYR B 31 25.471 21.112 9.693 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.913 20.302 8.900 1.00 0.11 C ATOM 1814 CE2 TYR B 31 25.294 19.876 9.064 1.00 0.11 C ATOM 1815 CZ TYR B 31 24.014 19.470 8.667 1.00 0.11 C ATOM 1816 OH TYR B 31 23.839 18.250 8.046 1.00 0.13 O ATOM 0 H TYR B 31 25.420 25.014 12.172 1.00 0.08 H new ATOM 0 HA TYR B 31 23.389 22.912 12.377 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.836 23.993 10.227 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.554 23.673 10.357 1.00 0.09 H new ATOM 0 HD1 TYR B 31 22.243 22.183 9.707 1.00 0.10 H new ATOM 0 HD2 TYR B 31 26.458 21.425 9.999 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.925 19.989 8.595 1.00 0.11 H new ATOM 0 HE2 TYR B 31 26.144 19.235 8.884 1.00 0.11 H new ATOM 0 HH TYR B 31 24.705 17.799 7.961 1.00 0.13 H new ATOM 1826 N VAL B 32 26.597 22.150 12.632 1.00 0.08 N ATOM 1827 CA VAL B 32 27.492 21.057 13.113 1.00 0.08 C ATOM 1828 C VAL B 32 27.271 20.835 14.611 1.00 0.08 C ATOM 1829 O VAL B 32 27.034 19.731 15.056 1.00 0.10 O ATOM 1830 CB VAL B 32 28.951 21.446 12.859 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.878 20.307 13.306 1.00 0.08 C ATOM 1832 CG2 VAL B 32 29.148 21.721 11.362 1.00 0.08 C ATOM 0 H VAL B 32 27.073 22.998 12.324 1.00 0.08 H new ATOM 0 HA VAL B 32 27.264 20.136 12.576 1.00 0.08 H new ATOM 0 HB VAL B 32 29.193 22.343 13.428 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.915 20.589 13.123 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.736 20.118 14.370 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.643 19.404 12.743 1.00 0.08 H new ATOM 0 HG21 VAL B 32 30.186 21.998 11.176 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.905 20.824 10.792 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.494 22.536 11.053 1.00 0.08 H new ATOM 1842 N ILE B 33 27.348 21.877 15.393 1.00 0.08 N ATOM 1843 CA ILE B 33 27.142 21.728 16.861 1.00 0.08 C ATOM 1844 C ILE B 33 25.895 20.857 17.128 1.00 0.09 C ATOM 1845 O ILE B 33 25.994 19.792 17.704 1.00 0.10 O ATOM 1846 CB ILE B 33 26.993 23.126 17.473 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.358 23.828 17.441 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.517 23.017 18.917 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.203 25.310 17.800 1.00 0.08 C ATOM 0 H ILE B 33 27.545 22.827 15.078 1.00 0.08 H new ATOM 0 HA ILE B 33 27.995 21.230 17.321 1.00 0.08 H new ATOM 0 HB ILE B 33 26.262 23.697 16.901 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.039 23.346 18.143 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.801 23.731 16.450 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.414 24.015 19.343 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.553 22.510 18.945 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.243 22.448 19.498 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.179 25.795 17.773 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.539 25.791 17.082 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.781 25.400 18.801 1.00 0.08 H new ATOM 1861 N LEU B 34 24.730 21.280 16.699 1.00 0.08 N ATOM 1862 CA LEU B 34 23.497 20.453 16.914 1.00 0.09 C ATOM 1863 C LEU B 34 23.741 19.033 16.360 1.00 0.12 C ATOM 1864 O LEU B 34 23.303 18.055 16.931 1.00 0.16 O ATOM 1865 CB LEU B 34 22.317 21.128 16.149 1.00 0.10 C ATOM 1866 CG LEU B 34 21.273 21.869 17.065 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.841 22.302 18.428 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.769 23.117 16.327 1.00 0.11 C ATOM 0 H LEU B 34 24.578 22.162 16.209 1.00 0.08 H new ATOM 0 HA LEU B 34 23.258 20.384 17.975 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.727 21.844 15.437 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.795 20.366 15.570 1.00 0.10 H new ATOM 0 HG LEU B 34 20.471 21.159 17.266 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.064 22.806 19.003 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.185 21.424 18.974 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.677 22.984 18.274 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.044 23.641 16.951 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.609 23.778 16.114 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.295 22.820 15.391 1.00 0.11 H new ATOM 1880 N LYS B 35 24.418 18.916 15.252 1.00 0.13 N ATOM 1881 CA LYS B 35 24.666 17.565 14.662 1.00 0.17 C ATOM 1882 C LYS B 35 25.288 16.623 15.698 1.00 0.19 C ATOM 1883 O LYS B 35 24.929 15.465 15.783 1.00 0.28 O ATOM 1884 CB LYS B 35 25.607 17.700 13.456 1.00 0.16 C ATOM 1885 CG LYS B 35 25.491 16.456 12.553 1.00 0.19 C ATOM 1886 CD LYS B 35 24.339 16.628 11.553 1.00 0.26 C ATOM 1887 CE LYS B 35 24.312 15.433 10.598 1.00 0.70 C ATOM 1888 NZ LYS B 35 23.257 15.645 9.568 1.00 1.58 N ATOM 0 H LYS B 35 24.812 19.697 14.727 1.00 0.13 H new ATOM 0 HA LYS B 35 23.713 17.144 14.343 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.357 18.596 12.888 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.635 17.816 13.798 1.00 0.16 H new ATOM 0 HG2 LYS B 35 26.427 16.299 12.016 1.00 0.19 H new ATOM 0 HG3 LYS B 35 25.322 15.569 13.164 1.00 0.19 H new ATOM 0 HD2 LYS B 35 23.390 16.705 12.084 1.00 0.26 H new ATOM 0 HD3 LYS B 35 24.466 17.554 10.991 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.284 15.314 10.119 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.115 14.515 11.152 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 23.261 14.849 8.898 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 22.327 15.704 10.030 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 23.445 16.530 9.055 1.00 1.58 H new ATOM 1902 N ASP B 36 26.222 17.093 16.478 1.00 0.23 N ATOM 1903 CA ASP B 36 26.863 16.201 17.490 1.00 0.28 C ATOM 1904 C ASP B 36 26.054 16.202 18.786 1.00 0.26 C ATOM 1905 O ASP B 36 25.964 15.203 19.472 1.00 0.39 O ATOM 1906 CB ASP B 36 28.278 16.697 17.774 1.00 0.34 C ATOM 1907 CG ASP B 36 29.114 16.595 16.498 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.939 17.436 15.631 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.915 15.680 16.408 1.00 1.96 O ATOM 0 H ASP B 36 26.569 18.052 16.460 1.00 0.23 H new ATOM 0 HA ASP B 36 26.898 15.185 17.097 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.251 17.729 18.123 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.731 16.104 18.568 1.00 0.34 H new ATOM 1914 N ALA B 37 25.471 17.313 19.136 1.00 0.21 N ATOM 1915 CA ALA B 37 24.679 17.370 20.394 1.00 0.21 C ATOM 1916 C ALA B 37 23.326 16.707 20.182 1.00 0.20 C ATOM 1917 O ALA B 37 22.327 17.138 20.724 1.00 0.24 O ATOM 1918 CB ALA B 37 24.453 18.826 20.775 1.00 0.22 C ATOM 0 H ALA B 37 25.509 18.183 18.606 1.00 0.21 H new ATOM 0 HA ALA B 37 25.222 16.851 21.184 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.873 18.875 21.696 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.415 19.316 20.925 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.909 19.331 19.977 1.00 0.22 H new ATOM 1924 N ASP B 38 23.266 15.676 19.392 1.00 0.20 N ATOM 1925 CA ASP B 38 21.953 15.023 19.155 1.00 0.21 C ATOM 1926 C ASP B 38 20.965 16.104 18.716 1.00 0.18 C ATOM 1927 O ASP B 38 19.763 15.942 18.779 1.00 0.21 O ATOM 1928 CB ASP B 38 21.476 14.365 20.458 1.00 0.28 C ATOM 1929 CG ASP B 38 20.486 13.240 20.143 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.636 13.447 19.293 1.00 1.86 O ATOM 1931 OD2 ASP B 38 20.595 12.191 20.757 1.00 1.59 O ATOM 0 H ASP B 38 24.060 15.260 18.905 1.00 0.20 H new ATOM 0 HA ASP B 38 22.031 14.256 18.385 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.329 13.967 21.008 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.003 15.109 21.099 1.00 0.28 H new ATOM 1936 N ALA B 39 21.493 17.217 18.287 1.00 0.14 N ATOM 1937 CA ALA B 39 20.645 18.352 17.851 1.00 0.14 C ATOM 1938 C ALA B 39 19.825 18.858 19.037 1.00 0.15 C ATOM 1939 O ALA B 39 18.937 19.674 18.889 1.00 0.18 O ATOM 1940 CB ALA B 39 19.717 17.914 16.723 1.00 0.16 C ATOM 0 H ALA B 39 22.497 17.387 18.221 1.00 0.14 H new ATOM 0 HA ALA B 39 21.283 19.155 17.483 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.100 18.757 16.412 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.311 17.567 15.877 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.076 17.104 17.073 1.00 0.16 H new ATOM 1946 N ASN B 40 20.125 18.385 20.215 1.00 0.15 N ATOM 1947 CA ASN B 40 19.372 18.843 21.416 1.00 0.18 C ATOM 1948 C ASN B 40 19.921 20.211 21.834 1.00 0.15 C ATOM 1949 O ASN B 40 20.966 20.312 22.446 1.00 0.15 O ATOM 1950 CB ASN B 40 19.552 17.811 22.558 1.00 0.23 C ATOM 1951 CG ASN B 40 18.256 17.014 22.766 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.185 15.848 22.433 1.00 1.90 O ATOM 1953 ND2 ASN B 40 17.225 17.604 23.306 1.00 1.32 N ATOM 0 H ASN B 40 20.859 17.701 20.398 1.00 0.15 H new ATOM 0 HA ASN B 40 18.308 18.930 21.195 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.370 17.132 22.318 1.00 0.23 H new ATOM 0 HB3 ASN B 40 19.824 18.323 23.481 1.00 0.23 H new ATOM 0 HD21 ASN B 40 16.358 17.086 23.449 1.00 1.32 H new ATOM 0 HD22 ASN B 40 17.286 18.583 23.585 1.00 1.32 H new ATOM 1960 N ILE B 41 19.226 21.262 21.498 1.00 0.15 N ATOM 1961 CA ILE B 41 19.706 22.622 21.864 1.00 0.15 C ATOM 1962 C ILE B 41 20.142 22.639 23.330 1.00 0.15 C ATOM 1963 O ILE B 41 21.185 23.164 23.667 1.00 0.14 O ATOM 1964 CB ILE B 41 18.582 23.635 21.609 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.483 23.855 20.090 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.887 24.963 22.338 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.316 24.784 19.755 1.00 0.24 C ATOM 0 H ILE B 41 18.345 21.237 20.985 1.00 0.15 H new ATOM 0 HA ILE B 41 20.567 22.893 21.253 1.00 0.15 H new ATOM 0 HB ILE B 41 17.633 23.260 21.992 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.414 24.283 19.718 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.349 22.898 19.587 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.083 25.674 22.150 1.00 0.21 H new ATOM 0 HG22 ILE B 41 18.966 24.780 23.410 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.827 25.373 21.969 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.263 24.927 18.676 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.385 24.341 20.108 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.467 25.748 20.242 1.00 0.24 H new ATOM 1979 N GLU B 42 19.373 22.059 24.203 1.00 0.17 N ATOM 1980 CA GLU B 42 19.777 22.039 25.629 1.00 0.17 C ATOM 1981 C GLU B 42 21.146 21.374 25.725 1.00 0.16 C ATOM 1982 O GLU B 42 22.008 21.802 26.461 1.00 0.18 O ATOM 1983 CB GLU B 42 18.756 21.242 26.440 1.00 0.20 C ATOM 1984 CG GLU B 42 17.369 21.874 26.278 1.00 0.30 C ATOM 1985 CD GLU B 42 16.752 21.439 24.946 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.095 20.411 24.928 1.00 1.65 O ATOM 1987 OE2 GLU B 42 16.947 22.142 23.968 1.00 1.78 O ATOM 0 H GLU B 42 18.487 21.600 23.991 1.00 0.17 H new ATOM 0 HA GLU B 42 19.823 23.054 26.025 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.737 20.206 26.103 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.041 21.230 27.492 1.00 0.20 H new ATOM 0 HG2 GLU B 42 16.724 21.573 27.103 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.448 22.961 26.315 1.00 0.30 H new ATOM 1994 N GLU B 43 21.347 20.329 24.971 1.00 0.16 N ATOM 1995 CA GLU B 43 22.655 19.618 24.996 1.00 0.16 C ATOM 1996 C GLU B 43 23.718 20.457 24.280 1.00 0.14 C ATOM 1997 O GLU B 43 24.873 20.456 24.655 1.00 0.20 O ATOM 1998 CB GLU B 43 22.509 18.270 24.288 1.00 0.18 C ATOM 1999 CG GLU B 43 23.814 17.483 24.414 1.00 0.30 C ATOM 2000 CD GLU B 43 23.635 16.097 23.792 1.00 1.21 C ATOM 2001 OE1 GLU B 43 22.808 15.971 22.904 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.328 15.186 24.214 1.00 1.89 O ATOM 0 H GLU B 43 20.655 19.934 24.334 1.00 0.16 H new ATOM 0 HA GLU B 43 22.961 19.461 26.030 1.00 0.16 H new ATOM 0 HB2 GLU B 43 21.687 17.704 24.727 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.265 18.424 23.237 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.623 18.016 23.914 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.095 17.389 25.463 1.00 0.30 H new ATOM 2009 N ALA B 44 23.343 21.170 23.250 1.00 0.12 N ATOM 2010 CA ALA B 44 24.341 22.001 22.511 1.00 0.12 C ATOM 2011 C ALA B 44 24.563 23.325 23.252 1.00 0.12 C ATOM 2012 O ALA B 44 25.678 23.693 23.564 1.00 0.14 O ATOM 2013 CB ALA B 44 23.822 22.283 21.087 1.00 0.13 C ATOM 0 H ALA B 44 22.390 21.213 22.889 1.00 0.12 H new ATOM 0 HA ALA B 44 25.286 21.462 22.451 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.550 22.889 20.548 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.674 21.340 20.560 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.875 22.819 21.145 1.00 0.13 H new ATOM 2019 N SER B 45 23.511 24.046 23.517 1.00 0.12 N ATOM 2020 CA SER B 45 23.653 25.355 24.219 1.00 0.16 C ATOM 2021 C SER B 45 24.613 25.220 25.405 1.00 0.15 C ATOM 2022 O SER B 45 25.258 26.170 25.801 1.00 0.16 O ATOM 2023 CB SER B 45 22.287 25.815 24.722 1.00 0.19 C ATOM 2024 OG SER B 45 22.466 26.766 25.763 1.00 0.82 O ATOM 0 H SER B 45 22.554 23.786 23.278 1.00 0.12 H new ATOM 0 HA SER B 45 24.054 26.088 23.520 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.715 26.256 23.905 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.715 24.962 25.087 1.00 0.19 H new ATOM 0 HG SER B 45 21.591 27.065 26.087 1.00 0.82 H new ATOM 2030 N ARG B 46 24.715 24.052 25.977 1.00 0.17 N ATOM 2031 CA ARG B 46 25.635 23.877 27.135 1.00 0.20 C ATOM 2032 C ARG B 46 27.081 23.806 26.632 1.00 0.17 C ATOM 2033 O ARG B 46 28.015 24.052 27.369 1.00 0.23 O ATOM 2034 CB ARG B 46 25.273 22.592 27.890 1.00 0.24 C ATOM 2035 CG ARG B 46 23.859 22.734 28.490 1.00 0.84 C ATOM 2036 CD ARG B 46 23.207 21.366 28.744 1.00 1.21 C ATOM 2037 NE ARG B 46 23.633 20.853 30.091 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.833 20.403 30.316 1.00 2.08 C ATOM 2039 NH1 ARG B 46 25.661 20.218 29.327 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.190 20.086 31.530 1.00 2.80 N ATOM 0 H ARG B 46 24.204 23.216 25.694 1.00 0.17 H new ATOM 0 HA ARG B 46 25.536 24.725 27.813 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.310 21.737 27.215 1.00 0.24 H new ATOM 0 HB3 ARG B 46 25.999 22.405 28.681 1.00 0.24 H new ATOM 0 HG2 ARG B 46 23.916 23.289 29.426 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.233 23.315 27.812 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.121 21.455 28.703 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.499 20.661 27.965 1.00 1.21 H new ATOM 0 HE ARG B 46 22.958 20.858 30.856 1.00 1.63 H new ATOM 0 HH11 ARG B 46 25.369 20.426 28.372 1.00 2.50 H new ATOM 0 HH12 ARG B 46 26.601 19.865 29.508 1.00 2.50 H new ATOM 0 HH21 ARG B 46 24.529 20.191 32.300 1.00 2.80 H new ATOM 0 HH22 ARG B 46 26.130 19.733 31.709 1.00 2.80 H new ATOM 2054 N ARG B 47 27.273 23.486 25.380 1.00 0.13 N ATOM 2055 CA ARG B 47 28.659 23.416 24.831 1.00 0.12 C ATOM 2056 C ARG B 47 29.125 24.828 24.475 1.00 0.11 C ATOM 2057 O ARG B 47 30.107 25.322 24.992 1.00 0.12 O ATOM 2058 CB ARG B 47 28.673 22.546 23.573 1.00 0.15 C ATOM 2059 CG ARG B 47 27.984 21.212 23.864 1.00 0.32 C ATOM 2060 CD ARG B 47 28.090 20.301 22.639 1.00 0.54 C ATOM 2061 NE ARG B 47 27.764 18.903 23.038 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.519 18.001 22.127 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.557 18.322 20.863 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.236 16.778 22.482 1.00 1.62 N ATOM 0 H ARG B 47 26.531 23.270 24.714 1.00 0.13 H new ATOM 0 HA ARG B 47 29.325 22.981 25.576 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.164 23.060 22.758 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.699 22.374 23.249 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.447 20.733 24.727 1.00 0.32 H new ATOM 0 HG3 ARG B 47 26.937 21.379 24.116 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.406 20.638 21.860 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.096 20.348 22.222 1.00 0.54 H new ATOM 0 HE ARG B 47 27.732 18.650 24.026 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.778 19.278 20.586 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.365 17.617 20.152 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.206 16.528 23.470 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.044 16.072 21.771 1.00 1.62 H new ATOM 2078 N ILE B 48 28.415 25.482 23.597 1.00 0.10 N ATOM 2079 CA ILE B 48 28.793 26.871 23.200 1.00 0.09 C ATOM 2080 C ILE B 48 29.103 27.685 24.455 1.00 0.10 C ATOM 2081 O ILE B 48 30.178 28.230 24.605 1.00 0.10 O ATOM 2082 CB ILE B 48 27.631 27.502 22.438 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.215 26.553 21.309 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.081 28.841 21.850 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.162 27.219 20.428 1.00 0.10 C ATOM 0 H ILE B 48 27.584 25.113 23.134 1.00 0.10 H new ATOM 0 HA ILE B 48 29.676 26.853 22.561 1.00 0.09 H new ATOM 0 HB ILE B 48 26.787 27.672 23.107 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.085 26.284 20.710 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.818 25.628 21.728 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.254 29.295 21.305 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.393 29.506 22.656 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.917 28.677 21.170 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.872 26.537 19.628 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.287 27.465 21.030 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.573 28.131 19.996 1.00 0.10 H new ATOM 2097 N GLU B 49 28.174 27.757 25.367 1.00 0.10 N ATOM 2098 CA GLU B 49 28.422 28.520 26.625 1.00 0.11 C ATOM 2099 C GLU B 49 29.758 28.081 27.211 1.00 0.11 C ATOM 2100 O GLU B 49 30.682 28.859 27.342 1.00 0.12 O ATOM 2101 CB GLU B 49 27.327 28.193 27.634 1.00 0.13 C ATOM 2102 CG GLU B 49 26.025 28.902 27.252 1.00 0.14 C ATOM 2103 CD GLU B 49 25.035 28.808 28.414 1.00 0.16 C ATOM 2104 OE1 GLU B 49 24.459 27.747 28.591 1.00 1.10 O ATOM 2105 OE2 GLU B 49 24.869 29.798 29.107 1.00 1.07 O ATOM 0 H GLU B 49 27.254 27.322 25.297 1.00 0.10 H new ATOM 0 HA GLU B 49 28.430 29.589 26.411 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.166 27.116 27.670 1.00 0.13 H new ATOM 0 HB3 GLU B 49 27.638 28.502 28.632 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.224 29.947 27.013 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.598 28.446 26.359 1.00 0.14 H new ATOM 2112 N GLU B 50 29.870 26.823 27.543 1.00 0.12 N ATOM 2113 CA GLU B 50 31.151 26.312 28.096 1.00 0.12 C ATOM 2114 C GLU B 50 32.257 26.743 27.148 1.00 0.11 C ATOM 2115 O GLU B 50 33.409 26.820 27.505 1.00 0.11 O ATOM 2116 CB GLU B 50 31.105 24.785 28.184 1.00 0.14 C ATOM 2117 CG GLU B 50 32.442 24.262 28.713 1.00 0.17 C ATOM 2118 CD GLU B 50 32.285 22.802 29.142 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.324 22.181 28.719 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.128 22.330 29.887 1.00 1.78 O ATOM 0 H GLU B 50 29.128 26.129 27.454 1.00 0.12 H new ATOM 0 HA GLU B 50 31.326 26.707 29.097 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.294 24.473 28.842 1.00 0.14 H new ATOM 0 HB3 GLU B 50 30.899 24.360 27.202 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.208 24.345 27.942 1.00 0.17 H new ATOM 0 HG3 GLU B 50 32.773 24.867 29.557 1.00 0.17 H new ATOM 2127 N GLY B 51 31.892 27.047 25.937 1.00 0.10 N ATOM 2128 CA GLY B 51 32.906 27.504 24.944 1.00 0.09 C ATOM 2129 C GLY B 51 33.174 28.989 25.183 1.00 0.09 C ATOM 2130 O GLY B 51 34.297 29.407 25.386 1.00 0.10 O ATOM 0 H GLY B 51 30.934 27.000 25.589 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.827 26.930 25.049 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.544 27.342 23.929 1.00 0.09 H new ATOM 2134 N GLN B 52 32.138 29.783 25.186 1.00 0.10 N ATOM 2135 CA GLN B 52 32.305 31.245 25.440 1.00 0.11 C ATOM 2136 C GLN B 52 33.153 31.423 26.691 1.00 0.11 C ATOM 2137 O GLN B 52 34.091 32.194 26.721 1.00 0.13 O ATOM 2138 CB GLN B 52 30.926 31.873 25.654 1.00 0.13 C ATOM 2139 CG GLN B 52 30.053 31.592 24.429 1.00 0.19 C ATOM 2140 CD GLN B 52 30.538 32.439 23.253 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.078 32.194 22.058 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 31.342 33.333 23.424 1.00 0.74 N flip ATOM 0 H GLN B 52 31.177 29.481 25.023 1.00 0.10 H new ATOM 0 HA GLN B 52 32.792 31.728 24.593 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.460 31.462 26.550 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.022 32.948 25.809 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.098 30.534 24.172 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.011 31.822 24.651 1.00 0.19 H new ATOM 0 HE21 GLN B 52 31.701 33.524 24.359 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.658 33.893 22.632 1.00 0.74 H new ATOM 2151 N TYR B 53 32.836 30.697 27.721 1.00 0.11 N ATOM 2152 CA TYR B 53 33.632 30.805 28.974 1.00 0.13 C ATOM 2153 C TYR B 53 35.095 30.438 28.666 1.00 0.13 C ATOM 2154 O TYR B 53 36.009 31.140 29.050 1.00 0.16 O ATOM 2155 CB TYR B 53 33.046 29.863 30.047 1.00 0.14 C ATOM 2156 CG TYR B 53 34.079 29.594 31.122 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.058 28.627 30.900 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.066 30.316 32.321 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.031 28.372 31.866 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.042 30.065 33.295 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.027 29.092 33.067 1.00 0.25 C ATOM 2162 OH TYR B 53 36.988 28.844 34.026 1.00 0.30 O ATOM 0 H TYR B 53 32.062 30.034 27.752 1.00 0.11 H new ATOM 0 HA TYR B 53 33.592 31.824 29.358 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.157 30.312 30.490 1.00 0.14 H new ATOM 0 HB3 TYR B 53 32.734 28.925 29.588 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.063 28.072 29.974 1.00 0.17 H new ATOM 0 HD2 TYR B 53 33.307 31.064 32.495 1.00 0.22 H new ATOM 0 HE1 TYR B 53 36.786 27.621 31.688 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.036 30.621 34.221 1.00 0.26 H new ATOM 0 HH TYR B 53 36.840 29.431 34.797 1.00 0.30 H new ATOM 2172 N VAL B 54 35.326 29.348 27.979 1.00 0.11 N ATOM 2173 CA VAL B 54 36.736 28.962 27.663 1.00 0.12 C ATOM 2174 C VAL B 54 37.431 30.138 26.981 1.00 0.12 C ATOM 2175 O VAL B 54 38.364 30.715 27.504 1.00 0.13 O ATOM 2176 CB VAL B 54 36.776 27.752 26.712 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.241 27.452 26.370 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.127 26.499 27.363 1.00 0.12 C ATOM 0 H VAL B 54 34.609 28.714 27.626 1.00 0.11 H new ATOM 0 HA VAL B 54 37.239 28.698 28.593 1.00 0.12 H new ATOM 0 HB VAL B 54 36.210 27.991 25.812 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.290 26.597 25.696 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.687 28.321 25.886 1.00 0.13 H new ATOM 0 HG13 VAL B 54 38.789 27.225 27.284 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.171 25.662 26.666 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.667 26.241 28.274 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.086 26.713 27.607 1.00 0.12 H new ATOM 2188 N VAL B 55 36.981 30.493 25.812 1.00 0.11 N ATOM 2189 CA VAL B 55 37.607 31.627 25.083 1.00 0.11 C ATOM 2190 C VAL B 55 37.660 32.842 26.006 1.00 0.14 C ATOM 2191 O VAL B 55 38.709 33.408 26.247 1.00 0.17 O ATOM 2192 CB VAL B 55 36.772 31.944 23.839 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.503 32.975 22.978 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.569 30.659 23.032 1.00 0.10 C ATOM 0 H VAL B 55 36.203 30.044 25.328 1.00 0.11 H new ATOM 0 HA VAL B 55 38.620 31.366 24.776 1.00 0.11 H new ATOM 0 HB VAL B 55 35.806 32.348 24.140 1.00 0.11 H new ATOM 0 HG11 VAL B 55 36.907 33.199 22.093 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.655 33.888 23.554 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.469 32.574 22.672 1.00 0.13 H new ATOM 0 HG21 VAL B 55 35.975 30.877 22.144 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.538 30.261 22.731 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.049 29.923 23.645 1.00 0.10 H new ATOM 2204 N ASN B 56 36.538 33.243 26.529 1.00 0.16 N ATOM 2205 CA ASN B 56 36.520 34.418 27.445 1.00 0.20 C ATOM 2206 C ASN B 56 37.519 34.190 28.584 1.00 0.22 C ATOM 2207 O ASN B 56 38.256 35.079 28.962 1.00 0.31 O ATOM 2208 CB ASN B 56 35.115 34.591 28.025 1.00 0.26 C ATOM 2209 CG ASN B 56 34.147 34.989 26.910 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.538 35.614 25.944 1.00 1.35 O ATOM 2211 ND2 ASN B 56 32.889 34.651 27.003 1.00 0.91 N ATOM 0 H ASN B 56 35.630 32.808 26.363 1.00 0.16 H new ATOM 0 HA ASN B 56 36.797 35.316 26.892 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.786 33.663 28.492 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.123 35.354 28.803 1.00 0.26 H new ATOM 0 HD21 ASN B 56 32.235 34.912 26.265 1.00 0.91 H new ATOM 0 HD22 ASN B 56 32.560 34.126 27.814 1.00 0.91 H new ATOM 2218 N GLU B 57 37.550 33.006 29.135 1.00 0.19 N ATOM 2219 CA GLU B 57 38.504 32.726 30.247 1.00 0.22 C ATOM 2220 C GLU B 57 39.930 32.681 29.693 1.00 0.22 C ATOM 2221 O GLU B 57 40.864 33.148 30.314 1.00 0.27 O ATOM 2222 CB GLU B 57 38.162 31.379 30.889 1.00 0.25 C ATOM 2223 CG GLU B 57 38.981 31.198 32.170 1.00 0.55 C ATOM 2224 CD GLU B 57 38.483 32.173 33.238 1.00 1.65 C ATOM 2225 OE1 GLU B 57 37.282 32.230 33.447 1.00 2.43 O ATOM 2226 OE2 GLU B 57 39.310 32.845 33.831 1.00 2.39 O ATOM 0 H GLU B 57 36.957 32.222 28.864 1.00 0.19 H new ATOM 0 HA GLU B 57 38.429 33.513 30.997 1.00 0.22 H new ATOM 0 HB2 GLU B 57 37.097 31.333 31.117 1.00 0.25 H new ATOM 0 HB3 GLU B 57 38.374 30.568 30.192 1.00 0.25 H new ATOM 0 HG2 GLU B 57 38.892 30.173 32.529 1.00 0.55 H new ATOM 0 HG3 GLU B 57 40.037 31.374 31.966 1.00 0.55 H new ATOM 2233 N TYR B 58 40.101 32.123 28.526 1.00 0.20 N ATOM 2234 CA TYR B 58 41.463 32.047 27.925 1.00 0.24 C ATOM 2235 C TYR B 58 41.906 33.455 27.512 1.00 0.24 C ATOM 2236 O TYR B 58 43.074 33.711 27.297 1.00 0.33 O ATOM 2237 CB TYR B 58 41.420 31.104 26.709 1.00 0.29 C ATOM 2238 CG TYR B 58 42.597 31.359 25.786 1.00 0.97 C ATOM 2239 CD1 TYR B 58 43.906 31.184 26.252 1.00 0.61 C ATOM 2240 CD2 TYR B 58 42.375 31.770 24.464 1.00 2.18 C ATOM 2241 CE1 TYR B 58 44.991 31.420 25.399 1.00 1.22 C ATOM 2242 CE2 TYR B 58 43.460 32.006 23.612 1.00 2.88 C ATOM 2243 CZ TYR B 58 44.768 31.831 24.079 1.00 2.36 C ATOM 2244 OH TYR B 58 45.838 32.064 23.238 1.00 3.06 O ATOM 0 H TYR B 58 39.355 31.716 27.962 1.00 0.20 H new ATOM 0 HA TYR B 58 42.180 31.655 28.646 1.00 0.24 H new ATOM 0 HB2 TYR B 58 41.435 30.068 27.046 1.00 0.29 H new ATOM 0 HB3 TYR B 58 40.487 31.249 26.164 1.00 0.29 H new ATOM 0 HD1 TYR B 58 44.079 30.867 27.270 1.00 0.61 H new ATOM 0 HD2 TYR B 58 41.366 31.905 24.103 1.00 2.18 H new ATOM 0 HE1 TYR B 58 46.000 31.285 25.759 1.00 1.22 H new ATOM 0 HE2 TYR B 58 43.288 32.323 22.594 1.00 2.88 H new ATOM 0 HH TYR B 58 45.957 33.030 23.120 1.00 3.06 H new ATOM 2254 N SER B 59 40.983 34.367 27.404 1.00 0.27 N ATOM 2255 CA SER B 59 41.348 35.754 27.013 1.00 0.34 C ATOM 2256 C SER B 59 42.074 36.431 28.177 1.00 0.37 C ATOM 2257 O SER B 59 43.026 37.162 27.987 1.00 0.52 O ATOM 2258 CB SER B 59 40.081 36.536 26.676 1.00 0.41 C ATOM 2259 OG SER B 59 39.433 35.926 25.567 1.00 1.45 O ATOM 0 H SER B 59 39.989 34.211 27.570 1.00 0.27 H new ATOM 0 HA SER B 59 42.001 35.730 26.140 1.00 0.34 H new ATOM 0 HB2 SER B 59 39.412 36.556 27.537 1.00 0.41 H new ATOM 0 HB3 SER B 59 40.330 37.571 26.442 1.00 0.41 H new ATOM 0 HG SER B 59 39.070 35.057 25.838 1.00 1.45 H new ATOM 2265 N ARG B 60 41.636 36.189 29.383 1.00 0.42 N ATOM 2266 CA ARG B 60 42.307 36.814 30.557 1.00 0.54 C ATOM 2267 C ARG B 60 43.788 36.435 30.542 1.00 0.61 C ATOM 2268 O ARG B 60 44.624 37.126 31.091 1.00 0.78 O ATOM 2269 CB ARG B 60 41.661 36.307 31.849 1.00 0.66 C ATOM 2270 CG ARG B 60 40.138 36.406 31.731 1.00 0.93 C ATOM 2271 CD ARG B 60 39.495 36.021 33.064 1.00 1.26 C ATOM 2272 NE ARG B 60 39.766 37.083 34.074 1.00 1.94 N ATOM 2273 CZ ARG B 60 39.069 37.127 35.176 1.00 2.56 C ATOM 2274 NH1 ARG B 60 38.137 36.241 35.396 1.00 2.77 N ATOM 2275 NH2 ARG B 60 39.304 38.059 36.060 1.00 3.52 N ATOM 0 H ARG B 60 40.844 35.586 29.605 1.00 0.42 H new ATOM 0 HA ARG B 60 42.202 37.898 30.507 1.00 0.54 H new ATOM 0 HB2 ARG B 60 41.956 35.274 32.035 1.00 0.66 H new ATOM 0 HB3 ARG B 60 42.010 36.895 32.698 1.00 0.66 H new ATOM 0 HG2 ARG B 60 39.849 37.420 31.456 1.00 0.93 H new ATOM 0 HG3 ARG B 60 39.781 35.747 30.939 1.00 0.93 H new ATOM 0 HD2 ARG B 60 38.420 35.891 32.937 1.00 1.26 H new ATOM 0 HD3 ARG B 60 39.893 35.067 33.409 1.00 1.26 H new ATOM 0 HE ARG B 60 40.496 37.775 33.904 1.00 1.94 H new ATOM 0 HH11 ARG B 60 37.953 35.513 34.706 1.00 2.77 H new ATOM 0 HH12 ARG B 60 37.593 36.277 36.258 1.00 2.77 H new ATOM 0 HH21 ARG B 60 40.032 38.752 35.889 1.00 3.52 H new ATOM 0 HH22 ARG B 60 38.759 38.094 36.922 1.00 3.52 H new ATOM 2289 N GLN B 61 44.119 35.342 29.911 1.00 0.61 N ATOM 2290 CA GLN B 61 45.545 34.916 29.852 1.00 0.76 C ATOM 2291 C GLN B 61 46.375 36.025 29.201 1.00 0.85 C ATOM 2292 O GLN B 61 47.483 36.306 29.610 1.00 1.06 O ATOM 2293 CB GLN B 61 45.659 33.632 29.024 1.00 0.79 C ATOM 2294 CG GLN B 61 47.021 32.979 29.276 1.00 1.26 C ATOM 2295 CD GLN B 61 47.018 32.300 30.644 1.00 1.65 C ATOM 2296 OE1 GLN B 61 45.968 31.629 31.023 1.00 2.28 O flip ATOM 2297 NE2 GLN B 61 47.983 32.382 31.378 1.00 2.31 N flip ATOM 0 H GLN B 61 43.462 34.725 29.433 1.00 0.61 H new ATOM 0 HA GLN B 61 45.916 34.728 30.860 1.00 0.76 H new ATOM 0 HB2 GLN B 61 44.858 32.942 29.291 1.00 0.79 H new ATOM 0 HB3 GLN B 61 45.543 33.859 27.964 1.00 0.79 H new ATOM 0 HG2 GLN B 61 47.235 32.248 28.496 1.00 1.26 H new ATOM 0 HG3 GLN B 61 47.809 33.730 29.233 1.00 1.26 H new ATOM 0 HE21 GLN B 61 48.806 32.907 31.082 1.00 2.31 H new ATOM 0 HE22 GLN B 61 47.970 31.926 32.290 1.00 2.31 H new ATOM 2306 N HIS B 62 45.843 36.659 28.191 1.00 0.79 N ATOM 2307 CA HIS B 62 46.597 37.754 27.516 1.00 0.97 C ATOM 2308 C HIS B 62 46.530 39.015 28.378 1.00 1.01 C ATOM 2309 O HIS B 62 47.125 40.027 28.064 1.00 1.27 O ATOM 2310 CB HIS B 62 45.971 38.040 26.149 1.00 1.05 C ATOM 2311 CG HIS B 62 46.083 36.819 25.279 1.00 1.28 C ATOM 2312 ND1 HIS B 62 47.182 35.970 25.329 1.00 1.77 N ATOM 2313 CD2 HIS B 62 45.244 36.290 24.328 1.00 1.57 C ATOM 2314 CE1 HIS B 62 46.976 34.986 24.433 1.00 1.97 C ATOM 2315 NE2 HIS B 62 45.812 35.137 23.801 1.00 1.83 N ATOM 0 H HIS B 62 44.919 36.466 27.804 1.00 0.79 H new ATOM 0 HA HIS B 62 47.636 37.453 27.382 1.00 0.97 H new ATOM 0 HB2 HIS B 62 44.924 38.319 26.268 1.00 1.05 H new ATOM 0 HB3 HIS B 62 46.474 38.883 25.676 1.00 1.05 H new ATOM 0 HD1 HIS B 62 47.997 36.073 25.934 1.00 1.77 H new ATOM 0 HD2 HIS B 62 44.291 36.706 24.036 1.00 1.57 H new ATOM 0 HE1 HIS B 62 47.667 34.176 24.250 1.00 1.97 H new ATOM 2323 N ASN B 63 45.809 38.959 29.465 1.00 1.00 N ATOM 2324 CA ASN B 63 45.698 40.149 30.355 1.00 1.16 C ATOM 2325 C ASN B 63 45.212 41.356 29.550 1.00 1.28 C ATOM 2326 O ASN B 63 45.972 41.998 28.853 1.00 1.86 O ATOM 2327 CB ASN B 63 47.066 40.461 30.967 1.00 1.33 C ATOM 2328 CG ASN B 63 47.642 39.194 31.602 1.00 1.93 C ATOM 2329 OD1 ASN B 63 47.195 38.768 32.648 1.00 2.59 O ATOM 2330 ND2 ASN B 63 48.623 38.570 31.009 1.00 2.66 N ATOM 0 H ASN B 63 45.291 38.137 29.775 1.00 1.00 H new ATOM 0 HA ASN B 63 44.983 39.936 31.150 1.00 1.16 H new ATOM 0 HB2 ASN B 63 47.743 40.836 30.199 1.00 1.33 H new ATOM 0 HB3 ASN B 63 46.970 41.245 31.718 1.00 1.33 H new ATOM 0 HD21 ASN B 63 49.014 37.724 31.424 1.00 2.66 H new ATOM 0 HD22 ASN B 63 48.998 38.928 30.131 1.00 2.66 H new ATOM 2337 N LEU B 64 43.945 41.672 29.646 1.00 1.29 N ATOM 2338 CA LEU B 64 43.394 42.841 28.896 1.00 1.43 C ATOM 2339 C LEU B 64 42.373 43.561 29.781 1.00 1.74 C ATOM 2340 O LEU B 64 42.673 43.950 30.892 1.00 2.20 O ATOM 2341 CB LEU B 64 42.715 42.362 27.602 1.00 1.43 C ATOM 2342 CG LEU B 64 41.686 41.241 27.903 1.00 1.54 C ATOM 2343 CD1 LEU B 64 40.531 41.311 26.897 1.00 1.59 C ATOM 2344 CD2 LEU B 64 42.349 39.859 27.789 1.00 2.41 C ATOM 0 H LEU B 64 43.265 41.167 30.215 1.00 1.29 H new ATOM 0 HA LEU B 64 44.203 43.523 28.635 1.00 1.43 H new ATOM 0 HB2 LEU B 64 42.215 43.200 27.116 1.00 1.43 H new ATOM 0 HB3 LEU B 64 43.468 41.993 26.906 1.00 1.43 H new ATOM 0 HG LEU B 64 41.312 41.384 28.917 1.00 1.54 H new ATOM 0 HD11 LEU B 64 39.812 40.521 27.113 1.00 1.59 H new ATOM 0 HD12 LEU B 64 40.039 42.281 26.974 1.00 1.59 H new ATOM 0 HD13 LEU B 64 40.920 41.181 25.887 1.00 1.59 H new ATOM 0 HD21 LEU B 64 41.613 39.084 28.003 1.00 2.41 H new ATOM 0 HD22 LEU B 64 42.736 39.723 26.779 1.00 2.41 H new ATOM 0 HD23 LEU B 64 43.169 39.789 28.504 1.00 2.41 H new ATOM 2356 N ASN B 65 41.172 43.749 29.301 1.00 2.14 N ATOM 2357 CA ASN B 65 40.146 44.447 30.124 1.00 2.59 C ATOM 2358 C ASN B 65 40.719 45.775 30.614 1.00 3.01 C ATOM 2359 O ASN B 65 41.411 45.838 31.611 1.00 3.52 O ATOM 2360 CB ASN B 65 39.762 43.578 31.325 1.00 3.25 C ATOM 2361 CG ASN B 65 38.776 44.342 32.211 1.00 3.82 C ATOM 2362 OD1 ASN B 65 39.126 44.785 33.287 1.00 4.30 O ATOM 2363 ND2 ASN B 65 37.549 44.518 31.801 1.00 4.34 N ATOM 0 H ASN B 65 40.860 43.450 28.377 1.00 2.14 H new ATOM 0 HA ASN B 65 39.257 44.629 29.520 1.00 2.59 H new ATOM 0 HB2 ASN B 65 39.314 42.645 30.984 1.00 3.25 H new ATOM 0 HB3 ASN B 65 40.652 43.314 31.896 1.00 3.25 H new ATOM 0 HD21 ASN B 65 36.885 45.027 32.384 1.00 4.34 H new ATOM 0 HD22 ASN B 65 37.255 44.146 30.898 1.00 4.34 H new ATOM 2370 N ILE B 66 40.442 46.835 29.913 1.00 0.00 N ATOM 2371 CA ILE B 66 40.971 48.164 30.320 1.00 0.00 C ATOM 2372 C ILE B 66 40.244 48.641 31.577 1.00 0.00 C ATOM 2373 O ILE B 66 39.624 49.686 31.594 1.00 0.00 O ATOM 2374 CB ILE B 66 40.751 49.152 29.173 1.00 0.00 C ATOM 2375 CG1 ILE B 66 41.086 48.457 27.845 1.00 0.00 C ATOM 2376 CG2 ILE B 66 41.652 50.375 29.359 1.00 0.00 C ATOM 2377 CD1 ILE B 66 42.472 47.809 27.929 1.00 0.00 C ATOM 0 H ILE B 66 39.868 46.839 29.070 1.00 0.00 H new ATOM 0 HA ILE B 66 42.036 48.094 30.540 1.00 0.00 H new ATOM 0 HB ILE B 66 39.711 49.479 29.166 1.00 0.00 H new ATOM 0 HG12 ILE B 66 40.334 47.700 27.621 1.00 0.00 H new ATOM 0 HG13 ILE B 66 41.062 49.180 27.030 1.00 0.00 H new ATOM 0 HG21 ILE B 66 41.490 51.074 28.539 1.00 0.00 H new ATOM 0 HG22 ILE B 66 41.413 50.863 30.304 1.00 0.00 H new ATOM 0 HG23 ILE B 66 42.696 50.060 29.367 1.00 0.00 H new ATOM 0 HD11 ILE B 66 42.702 47.318 26.983 1.00 0.00 H new ATOM 0 HD12 ILE B 66 43.220 48.575 28.132 1.00 0.00 H new ATOM 0 HD13 ILE B 66 42.481 47.072 28.732 1.00 0.00 H new ATOM 2389 N TYR B 67 40.321 47.878 32.631 1.00 0.00 N ATOM 2390 CA TYR B 67 39.643 48.270 33.899 1.00 0.00 C ATOM 2391 C TYR B 67 40.250 47.478 35.060 1.00 0.00 C ATOM 2392 O TYR B 67 41.314 46.903 34.940 1.00 0.00 O ATOM 2393 CB TYR B 67 38.146 47.960 33.797 1.00 0.00 C ATOM 2394 CG TYR B 67 37.472 48.984 32.913 1.00 0.00 C ATOM 2395 CD1 TYR B 67 37.121 50.236 33.433 1.00 0.00 C ATOM 2396 CD2 TYR B 67 37.197 48.682 31.573 1.00 0.00 C ATOM 2397 CE1 TYR B 67 36.496 51.185 32.615 1.00 0.00 C ATOM 2398 CE2 TYR B 67 36.572 49.630 30.755 1.00 0.00 C ATOM 2399 CZ TYR B 67 36.221 50.882 31.276 1.00 0.00 C ATOM 2400 OH TYR B 67 35.604 51.816 30.469 1.00 0.00 O ATOM 0 H TYR B 67 40.828 46.994 32.669 1.00 0.00 H new ATOM 0 HA TYR B 67 39.779 49.338 34.072 1.00 0.00 H new ATOM 0 HB2 TYR B 67 37.999 46.960 33.389 1.00 0.00 H new ATOM 0 HB3 TYR B 67 37.695 47.969 34.789 1.00 0.00 H new ATOM 0 HD1 TYR B 67 37.333 50.470 34.466 1.00 0.00 H new ATOM 0 HD2 TYR B 67 37.468 47.717 31.171 1.00 0.00 H new ATOM 0 HE1 TYR B 67 36.226 52.150 33.017 1.00 0.00 H new ATOM 0 HE2 TYR B 67 36.360 49.396 29.722 1.00 0.00 H new ATOM 0 HH TYR B 67 35.488 51.445 29.569 1.00 0.00 H new ATOM 2410 N ASP B 68 39.585 47.439 36.183 1.00 0.00 N ATOM 2411 CA ASP B 68 40.129 46.681 37.346 1.00 0.00 C ATOM 2412 C ASP B 68 40.555 45.283 36.891 1.00 0.00 C ATOM 2413 O ASP B 68 41.728 44.986 36.779 1.00 0.00 O ATOM 2414 CB ASP B 68 39.051 46.562 38.425 1.00 0.00 C ATOM 2415 CG ASP B 68 38.450 47.941 38.700 1.00 0.00 C ATOM 2416 OD1 ASP B 68 39.101 48.727 39.370 1.00 0.00 O ATOM 2417 OD2 ASP B 68 37.349 48.189 38.237 1.00 0.00 O ATOM 0 H ASP B 68 38.689 47.899 36.345 1.00 0.00 H new ATOM 0 HA ASP B 68 40.993 47.208 37.752 1.00 0.00 H new ATOM 0 HB2 ASP B 68 38.272 45.872 38.101 1.00 0.00 H new ATOM 0 HB3 ASP B 68 39.480 46.152 39.339 1.00 0.00 H new ATOM 2422 N GLY B 69 39.610 44.425 36.629 1.00 0.00 N ATOM 2423 CA GLY B 69 39.956 43.045 36.180 1.00 0.00 C ATOM 2424 C GLY B 69 40.395 42.211 37.383 1.00 0.00 C ATOM 2425 O GLY B 69 40.095 41.037 37.481 1.00 0.00 O ATOM 0 H GLY B 69 38.611 44.618 36.706 1.00 0.00 H new ATOM 0 HA2 GLY B 69 39.095 42.582 35.698 1.00 0.00 H new ATOM 0 HA3 GLY B 69 40.755 43.082 35.439 1.00 0.00 H new ATOM 2429 N GLY B 70 41.105 42.806 38.301 1.00 0.00 N ATOM 2430 CA GLY B 70 41.563 42.045 39.496 1.00 0.00 C ATOM 2431 C GLY B 70 42.716 42.792 40.166 1.00 0.00 C ATOM 2432 O GLY B 70 42.823 43.999 40.075 1.00 0.00 O ATOM 0 H GLY B 70 41.388 43.786 38.275 1.00 0.00 H new ATOM 0 HA2 GLY B 70 40.739 41.921 40.199 1.00 0.00 H new ATOM 0 HA3 GLY B 70 41.885 41.046 39.202 1.00 0.00 H new ATOM 2436 N GLU B 71 43.579 42.084 40.840 1.00 0.00 N ATOM 2437 CA GLU B 71 44.725 42.751 41.518 1.00 0.00 C ATOM 2438 C GLU B 71 45.679 43.321 40.467 1.00 0.00 C ATOM 2439 O GLU B 71 46.742 43.815 40.784 1.00 0.00 O ATOM 2440 CB GLU B 71 45.468 41.731 42.383 1.00 0.00 C ATOM 2441 CG GLU B 71 44.544 41.240 43.499 1.00 0.00 C ATOM 2442 CD GLU B 71 43.427 40.385 42.899 1.00 0.00 C ATOM 2443 OE1 GLU B 71 43.627 39.860 41.816 1.00 0.00 O ATOM 2444 OE2 GLU B 71 42.390 40.271 43.531 1.00 0.00 O ATOM 0 H GLU B 71 43.540 41.071 40.951 1.00 0.00 H new ATOM 0 HA GLU B 71 44.354 43.560 42.147 1.00 0.00 H new ATOM 0 HB2 GLU B 71 45.796 40.890 41.772 1.00 0.00 H new ATOM 0 HB3 GLU B 71 46.363 42.183 42.810 1.00 0.00 H new ATOM 0 HG2 GLU B 71 45.111 40.658 44.225 1.00 0.00 H new ATOM 0 HG3 GLU B 71 44.119 42.090 44.033 1.00 0.00 H new ATOM 2451 N LEU B 72 45.308 43.259 39.217 1.00 0.00 N ATOM 2452 CA LEU B 72 46.197 43.801 38.151 1.00 0.00 C ATOM 2453 C LEU B 72 47.572 43.116 38.256 1.00 0.00 C ATOM 2454 O LEU B 72 47.684 42.009 38.745 1.00 0.00 O ATOM 2455 CB LEU B 72 46.325 45.336 38.338 1.00 0.00 C ATOM 2456 CG LEU B 72 46.005 46.078 37.031 1.00 0.00 C ATOM 2457 CD1 LEU B 72 45.902 47.578 37.314 1.00 0.00 C ATOM 2458 CD2 LEU B 72 47.119 45.828 36.010 1.00 0.00 C ATOM 0 H LEU B 72 44.430 42.857 38.889 1.00 0.00 H new ATOM 0 HA LEU B 72 45.783 43.603 37.162 1.00 0.00 H new ATOM 0 HB2 LEU B 72 45.647 45.668 39.124 1.00 0.00 H new ATOM 0 HB3 LEU B 72 47.336 45.583 38.663 1.00 0.00 H new ATOM 0 HG LEU B 72 45.059 45.714 36.629 1.00 0.00 H new ATOM 0 HD11 LEU B 72 45.675 48.108 36.389 1.00 0.00 H new ATOM 0 HD12 LEU B 72 45.108 47.758 38.039 1.00 0.00 H new ATOM 0 HD13 LEU B 72 46.849 47.938 37.716 1.00 0.00 H new ATOM 0 HD21 LEU B 72 46.889 46.355 35.084 1.00 0.00 H new ATOM 0 HD22 LEU B 72 48.066 46.191 36.409 1.00 0.00 H new ATOM 0 HD23 LEU B 72 47.195 44.759 35.809 1.00 0.00 H new ATOM 2470 N ARG B 73 48.614 43.762 37.804 1.00 0.00 N ATOM 2471 CA ARG B 73 49.969 43.142 37.881 1.00 0.00 C ATOM 2472 C ARG B 73 50.200 42.580 39.285 1.00 0.00 C ATOM 2473 O ARG B 73 49.645 43.056 40.255 1.00 0.00 O ATOM 2474 CB ARG B 73 51.030 44.202 37.584 1.00 0.00 C ATOM 2475 CG ARG B 73 50.897 44.668 36.132 1.00 0.00 C ATOM 2476 CD ARG B 73 52.051 45.611 35.785 1.00 0.00 C ATOM 2477 NE ARG B 73 52.243 46.617 36.884 1.00 0.00 N ATOM 2478 CZ ARG B 73 51.275 47.406 37.271 1.00 0.00 C ATOM 2479 NH1 ARG B 73 50.156 47.461 36.602 1.00 0.00 N ATOM 2480 NH2 ARG B 73 51.447 48.182 38.307 1.00 0.00 N ATOM 0 H ARG B 73 48.585 44.692 37.385 1.00 0.00 H new ATOM 0 HA ARG B 73 50.038 42.336 37.151 1.00 0.00 H new ATOM 0 HB2 ARG B 73 50.912 45.048 38.261 1.00 0.00 H new ATOM 0 HB3 ARG B 73 52.026 43.793 37.756 1.00 0.00 H new ATOM 0 HG2 ARG B 73 50.903 43.808 35.462 1.00 0.00 H new ATOM 0 HG3 ARG B 73 49.944 45.177 35.989 1.00 0.00 H new ATOM 0 HD2 ARG B 73 52.968 45.039 35.641 1.00 0.00 H new ATOM 0 HD3 ARG B 73 51.843 46.123 34.845 1.00 0.00 H new ATOM 0 HE ARG B 73 53.153 46.686 37.340 1.00 0.00 H new ATOM 0 HH11 ARG B 73 50.031 46.885 35.769 1.00 0.00 H new ATOM 0 HH12 ARG B 73 49.407 48.080 36.912 1.00 0.00 H new ATOM 0 HH21 ARG B 73 52.334 48.171 38.811 1.00 0.00 H new ATOM 0 HH22 ARG B 73 50.695 48.799 38.612 1.00 0.00 H new ATOM 2494 N ASN B 74 51.021 41.572 39.400 1.00 0.00 N ATOM 2495 CA ASN B 74 51.295 40.981 40.740 1.00 0.00 C ATOM 2496 C ASN B 74 52.072 41.988 41.590 1.00 0.00 C ATOM 2497 O ASN B 74 51.502 42.872 42.198 1.00 0.00 O ATOM 2498 CB ASN B 74 52.127 39.707 40.577 1.00 0.00 C ATOM 2499 CG ASN B 74 51.307 38.653 39.829 1.00 0.00 C ATOM 2500 OD1 ASN B 74 50.516 37.948 40.424 1.00 0.00 O ATOM 2501 ND2 ASN B 74 51.465 38.516 38.541 1.00 0.00 N ATOM 0 H ASN B 74 51.514 41.132 38.623 1.00 0.00 H new ATOM 0 HA ASN B 74 50.352 40.739 41.230 1.00 0.00 H new ATOM 0 HB2 ASN B 74 53.043 39.926 40.029 1.00 0.00 H new ATOM 0 HB3 ASN B 74 52.423 39.326 41.554 1.00 0.00 H new ATOM 0 HD21 ASN B 74 50.924 37.817 38.032 1.00 0.00 H new ATOM 0 HD22 ASN B 74 52.129 39.108 38.043 1.00 0.00 H new ATOM 2508 N THR B 75 53.371 41.863 41.634 1.00 0.00 N ATOM 2509 CA THR B 75 54.189 42.814 42.441 1.00 0.00 C ATOM 2510 C THR B 75 54.455 44.077 41.615 1.00 0.00 C ATOM 2511 O THR B 75 53.540 44.729 41.153 1.00 0.00 O ATOM 2512 CB THR B 75 55.517 42.148 42.816 1.00 0.00 C ATOM 2513 OG1 THR B 75 55.268 40.816 43.246 1.00 0.00 O ATOM 2514 CG2 THR B 75 56.187 42.931 43.948 1.00 0.00 C ATOM 0 H THR B 75 53.902 41.142 41.145 1.00 0.00 H new ATOM 0 HA THR B 75 53.653 43.084 43.351 1.00 0.00 H new ATOM 0 HB THR B 75 56.175 42.138 41.947 1.00 0.00 H new ATOM 0 HG1 THR B 75 56.115 40.386 43.485 1.00 0.00 H new ATOM 0 HG21 THR B 75 57.131 42.454 44.211 1.00 0.00 H new ATOM 0 HG22 THR B 75 56.376 43.953 43.621 1.00 0.00 H new ATOM 0 HG23 THR B 75 55.532 42.944 44.819 1.00 0.00 H new ATOM 2522 N THR B 76 55.699 44.427 41.422 1.00 0.00 N ATOM 2523 CA THR B 76 56.015 45.645 40.624 1.00 0.00 C ATOM 2524 C THR B 76 55.294 46.853 41.224 1.00 0.00 C ATOM 2525 O THR B 76 55.298 47.932 40.664 1.00 0.00 O ATOM 2526 CB THR B 76 55.554 45.441 39.178 1.00 0.00 C ATOM 2527 OG1 THR B 76 54.161 45.703 39.087 1.00 0.00 O ATOM 2528 CG2 THR B 76 55.835 44.000 38.746 1.00 0.00 C ATOM 0 H THR B 76 56.509 43.922 41.783 1.00 0.00 H new ATOM 0 HA THR B 76 57.091 45.821 40.642 1.00 0.00 H new ATOM 0 HB THR B 76 56.097 46.124 38.524 1.00 0.00 H new ATOM 0 HG1 THR B 76 53.664 44.989 39.538 1.00 0.00 H new ATOM 0 HG21 THR B 76 55.506 43.858 37.717 1.00 0.00 H new ATOM 0 HG22 THR B 76 56.904 43.801 38.816 1.00 0.00 H new ATOM 0 HG23 THR B 76 55.295 43.313 39.398 1.00 0.00 H new ATOM 2536 N ARG B 77 54.673 46.683 42.359 1.00 0.00 N ATOM 2537 CA ARG B 77 53.953 47.824 42.991 1.00 0.00 C ATOM 2538 C ARG B 77 54.966 48.755 43.660 1.00 0.00 C ATOM 2539 O ARG B 77 54.631 49.527 44.536 1.00 0.00 O ATOM 2540 CB ARG B 77 52.973 47.292 44.045 1.00 0.00 C ATOM 2541 CG ARG B 77 51.748 46.654 43.360 1.00 0.00 C ATOM 2542 CD ARG B 77 50.693 47.726 43.055 1.00 0.00 C ATOM 2543 NE ARG B 77 49.492 47.081 42.455 1.00 0.00 N ATOM 2544 CZ ARG B 77 48.365 47.735 42.388 1.00 0.00 C ATOM 2545 NH1 ARG B 77 48.291 48.955 42.844 1.00 0.00 N ATOM 2546 NH2 ARG B 77 47.312 47.168 41.865 1.00 0.00 N ATOM 0 H ARG B 77 54.633 45.804 42.875 1.00 0.00 H new ATOM 0 HA ARG B 77 53.401 48.373 42.228 1.00 0.00 H new ATOM 0 HB2 ARG B 77 53.471 46.555 44.676 1.00 0.00 H new ATOM 0 HB3 ARG B 77 52.652 48.105 44.697 1.00 0.00 H new ATOM 0 HG2 ARG B 77 52.054 46.161 42.437 1.00 0.00 H new ATOM 0 HG3 ARG B 77 51.321 45.886 44.005 1.00 0.00 H new ATOM 0 HD2 ARG B 77 50.418 48.252 43.969 1.00 0.00 H new ATOM 0 HD3 ARG B 77 51.101 48.469 42.370 1.00 0.00 H new ATOM 0 HE ARG B 77 49.551 46.128 42.096 1.00 0.00 H new ATOM 0 HH11 ARG B 77 49.114 49.397 43.253 1.00 0.00 H new ATOM 0 HH12 ARG B 77 47.410 49.466 42.792 1.00 0.00 H new ATOM 0 HH21 ARG B 77 47.370 46.214 41.509 1.00 0.00 H new ATOM 0 HH22 ARG B 77 46.431 47.679 41.812 1.00 0.00 H new ATOM 2560 N GLN B 78 56.205 48.689 43.253 1.00 0.00 N ATOM 2561 CA GLN B 78 57.237 49.571 43.866 1.00 0.00 C ATOM 2562 C GLN B 78 56.973 51.023 43.461 1.00 0.00 C ATOM 2563 O GLN B 78 57.597 51.940 43.958 1.00 0.00 O ATOM 2564 CB GLN B 78 58.624 49.151 43.375 1.00 0.00 C ATOM 2565 CG GLN B 78 58.862 47.677 43.709 1.00 0.00 C ATOM 2566 CD GLN B 78 60.130 47.192 43.005 1.00 0.00 C ATOM 2567 OE1 GLN B 78 61.119 46.894 43.645 1.00 0.00 O ATOM 2568 NE2 GLN B 78 60.143 47.101 41.703 1.00 0.00 N ATOM 0 H GLN B 78 56.546 48.063 42.523 1.00 0.00 H new ATOM 0 HA GLN B 78 57.192 49.482 44.951 1.00 0.00 H new ATOM 0 HB2 GLN B 78 58.703 49.308 42.299 1.00 0.00 H new ATOM 0 HB3 GLN B 78 59.390 49.769 43.844 1.00 0.00 H new ATOM 0 HG2 GLN B 78 58.960 47.549 44.787 1.00 0.00 H new ATOM 0 HG3 GLN B 78 58.007 47.079 43.394 1.00 0.00 H new ATOM 0 HE21 GLN B 78 59.313 47.351 41.166 1.00 0.00 H new ATOM 0 HE22 GLN B 78 60.983 46.780 41.223 1.00 0.00 H new ATOM 2577 N CYS B 79 56.053 51.238 42.561 1.00 0.00 N ATOM 2578 CA CYS B 79 55.750 52.630 42.123 1.00 0.00 C ATOM 2579 C CYS B 79 54.933 53.341 43.204 1.00 0.00 C ATOM 2580 O CYS B 79 54.177 54.251 42.927 1.00 0.00 O ATOM 2581 CB CYS B 79 54.946 52.590 40.821 1.00 0.00 C ATOM 2582 SG CYS B 79 54.826 54.261 40.135 1.00 0.00 S ATOM 0 H CYS B 79 55.498 50.510 42.110 1.00 0.00 H new ATOM 0 HA CYS B 79 56.683 53.170 41.960 1.00 0.00 H new ATOM 0 HB2 CYS B 79 55.427 51.925 40.104 1.00 0.00 H new ATOM 0 HB3 CYS B 79 53.950 52.190 41.008 1.00 0.00 H new ATOM 0 HG CYS B 79 54.346 55.066 41.036 1.00 0.00 H new ATOM 2588 N GLY B 80 55.079 52.934 44.435 1.00 0.00 N ATOM 2589 CA GLY B 80 54.311 53.589 45.531 1.00 0.00 C ATOM 2590 C GLY B 80 54.976 54.916 45.897 1.00 0.00 C ATOM 2591 O GLY B 80 55.098 55.757 45.021 1.00 0.00 O ATOM 2592 OXT GLY B 80 55.353 55.070 47.047 1.00 0.00 O ATOM 0 H GLY B 80 55.696 52.177 44.729 1.00 0.00 H new ATOM 0 HA2 GLY B 80 53.282 53.761 45.216 1.00 0.00 H new ATOM 0 HA3 GLY B 80 54.273 52.936 46.403 1.00 0.00 H new TER 2596 GLY B 80