USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1562 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 64 SER OG : rot 180:sc= 0.943 USER MOD Set 1.2: C1920 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0) USER MOD Set 2.1: B 30 ASN : amide:sc= -0.984 K(o=0.28,f=-1.5!) USER MOD Set 2.2: B 32 SER OG : rot 67:sc= 1.26 USER MOD Set 3.1: B 31 LYS NZ :NH3+ -172:sc= 0.308 (180deg=-1.05) USER MOD Set 3.2: B 68 ASN : amide:sc= -1.16! C(o=-0.85!,f=-11!) USER MOD Set 4.1: B 18 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.25) USER MOD Set 4.2: B 19 TYR OH : rot 180:sc= -2.22! USER MOD Set 5.1: A 12 MET CE :methyl 165:sc= -0.235 (180deg=-0.419) USER MOD Set 5.2: A 80 SER OG : rot -132:sc= 0.111 USER MOD Set 5.3: B 12 MET CE :methyl 173:sc= -2.83 (180deg=-2.83) USER MOD Set 5.4: B 80 SER OG : rot -155:sc= -1.07 USER MOD Set 6.1: A 81 CYS SG : rot 43:sc= -4.98! USER MOD Set 6.2: A 84 MET CE :methyl -179:sc= -3.42! (180deg=-3.39!) USER MOD Set 6.3: C1910 MET CE :methyl -173:sc= -5.01! (180deg=-5.34!) USER MOD Set 7.1: A 64 SER OG : rot -34:sc= 1.18 USER MOD Set 7.2: C1911 ASN : amide:sc= -0.0121 X(o=1.2,f=1) USER MOD Set 8.1: A 57 LYS NZ :NH3+ -164:sc= 1.04 (180deg=0) USER MOD Set 8.2: A 61 ASN : amide:sc= -0.479! C(o=-1.4!,f=-8.4!) USER MOD Set 8.3: C1904 THR OG1 : rot -120:sc= -1.95! USER MOD Set 9.1: A 30 ASN : amide:sc= -0.78 K(o=0.46,f=-1.3!) USER MOD Set 9.2: A 32 SER OG : rot 88:sc= 1.24 USER MOD Set10.1: A 18 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.16) USER MOD Set10.2: A 19 TYR OH : rot 50:sc= -2.24! USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0337 (180deg=-0.293) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.56) USER MOD Single : A 20 SER OG : rot -87:sc= -0.0718 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.0208 (180deg=-0.198) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 1.15 (180deg=1.08) USER MOD Single : A 39 THR OG1 : rot -6:sc= -0.468 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -0.991 (180deg=-3.18!) USER MOD Single : A 50 THR OG1 : rot 80:sc= -3.55! USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 59 MET CE :methyl 157:sc= -2.28! (180deg=-5.07!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.139 F(o=-1,f=-0.14) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 1.28 K(o=1.3,f=-0.29) USER MOD Single : A 75 TYR OH : rot -70:sc= -0.517 USER MOD Single : A 76 CYS SG : rot 64:sc= -5.12! USER MOD Single : A 85 MET CE :methyl 167:sc= -5.96! (180deg=-7.93!) USER MOD Single : A 86 CYS SG : rot -21:sc= -0.0331 USER MOD Single : A 87 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.084) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -163:sc= -0.032 (180deg=-0.286) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -110:sc= -0.015 USER MOD Single : B 17 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.51) USER MOD Single : B 20 SER OG : rot -86:sc= -0.2 USER MOD Single : B 28 LYS NZ :NH3+ -135:sc= 0.267 (180deg=-0.00435) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -11:sc= -0.514 USER MOD Single : B 44 SER OG : rot 180:sc= 0.0262 USER MOD Single : B 48 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.904) USER MOD Single : B 50 THR OG1 : rot 42:sc= 0.0239 USER MOD Single : B 56 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.1!) USER MOD Single : B 57 LYS NZ :NH3+ -161:sc= -0.0781 (180deg=-0.438) USER MOD Single : B 59 MET CE :methyl 171:sc= -1.28 (180deg=-1.51) USER MOD Single : B 60 SER OG : rot -86:sc= 0.756 USER MOD Single : B 61 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.67) USER MOD Single : B 65 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 73 GLN : amide:sc= 0.0964 K(o=0.096,f=-0.5) USER MOD Single : B 75 TYR OH : rot -30:sc= -0.272 USER MOD Single : B 76 CYS SG : rot 68:sc= -1.1! USER MOD Single : B 81 CYS SG : rot -57:sc= -12.1! USER MOD Single : B 84 MET CE :methyl 157:sc= -9.17! (180deg=-13.2!) USER MOD Single : B 85 MET CE :methyl -142:sc= 0 (180deg=-1.17) USER MOD Single : B 86 CYS SG : rot 180:sc= -5.24! USER MOD Single : B 87 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.0831 USER MOD Single : C1915 SER OG : rot -86:sc= 0.826 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ -150:sc= 0.857! (180deg=-0.69) USER MOD Single : C1919 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.11!) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.859 -8.736 2.191 1.00 0.40 N ATOM 45 CA GLU C1899 -13.455 -9.057 2.263 1.00 0.29 C ATOM 46 C GLU C1899 -12.762 -7.974 3.062 1.00 0.24 C ATOM 47 O GLU C1899 -11.818 -8.232 3.803 1.00 0.27 O ATOM 48 CB GLU C1899 -12.863 -9.094 0.859 1.00 0.30 C ATOM 49 CG GLU C1899 -13.281 -7.892 0.030 1.00 0.35 C ATOM 50 CD GLU C1899 -14.638 -8.087 -0.611 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.691 -8.756 -1.668 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.636 -7.541 -0.104 1.00 0.97 O ATOM 0 HA GLU C1899 -13.319 -10.030 2.735 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.776 -9.127 0.926 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -13.180 -10.008 0.357 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.304 -7.005 0.664 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.537 -7.710 -0.746 1.00 0.35 H new ATOM 59 N LEU C1900 -13.287 -6.752 2.930 1.00 0.24 N ATOM 60 CA LEU C1900 -12.684 -5.582 3.550 1.00 0.25 C ATOM 61 C LEU C1900 -12.833 -5.622 5.072 1.00 0.28 C ATOM 62 O LEU C1900 -12.372 -4.727 5.772 1.00 0.44 O ATOM 63 CB LEU C1900 -13.280 -4.274 3.001 1.00 0.33 C ATOM 64 CG LEU C1900 -12.821 -3.827 1.606 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.318 -3.930 1.460 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.538 -4.574 0.521 1.00 0.31 C ATOM 0 H LEU C1900 -14.133 -6.553 2.395 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.623 -5.605 3.300 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.365 -4.378 2.983 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -13.048 -3.475 3.705 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.086 -2.775 1.497 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.026 -3.606 0.461 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -10.836 -3.294 2.203 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.008 -4.964 1.611 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.186 -4.230 -0.451 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.340 -5.641 0.622 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.610 -4.395 0.603 1.00 0.31 H new ATOM 78 N GLU C1901 -13.475 -6.668 5.578 1.00 0.27 N ATOM 79 CA GLU C1901 -13.634 -6.849 7.012 1.00 0.34 C ATOM 80 C GLU C1901 -12.324 -7.332 7.614 1.00 0.37 C ATOM 81 O GLU C1901 -11.849 -6.785 8.602 1.00 0.52 O ATOM 82 CB GLU C1901 -14.760 -7.843 7.295 1.00 0.48 C ATOM 83 CG GLU C1901 -15.009 -8.099 8.771 1.00 1.00 C ATOM 84 CD GLU C1901 -16.203 -8.996 9.006 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.221 -10.122 8.470 1.00 1.48 O ATOM 86 OE2 GLU C1901 -17.138 -8.580 9.722 1.00 1.44 O ATOM 0 H GLU C1901 -13.895 -7.406 5.012 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.899 -5.896 7.470 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.679 -7.472 6.842 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.525 -8.790 6.808 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.123 -8.555 9.213 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.166 -7.148 9.281 1.00 1.00 H new ATOM 93 N ASP C1902 -11.743 -8.350 6.995 1.00 0.37 N ATOM 94 CA ASP C1902 -10.438 -8.853 7.408 1.00 0.46 C ATOM 95 C ASP C1902 -9.341 -8.124 6.652 1.00 0.44 C ATOM 96 O ASP C1902 -8.201 -8.041 7.110 1.00 0.58 O ATOM 97 CB ASP C1902 -10.331 -10.359 7.160 1.00 0.60 C ATOM 98 CG ASP C1902 -11.294 -11.153 8.015 1.00 1.18 C ATOM 99 OD1 ASP C1902 -10.927 -11.511 9.155 1.00 1.42 O ATOM 100 OD2 ASP C1902 -12.423 -11.420 7.557 1.00 2.01 O ATOM 0 H ASP C1902 -12.154 -8.845 6.204 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.322 -8.672 8.477 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.527 -10.566 6.108 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -9.312 -10.687 7.365 1.00 0.60 H new ATOM 105 N ALA C1903 -9.708 -7.599 5.484 1.00 0.36 N ATOM 106 CA ALA C1903 -8.797 -6.826 4.647 1.00 0.46 C ATOM 107 C ALA C1903 -8.128 -5.727 5.429 1.00 0.37 C ATOM 108 O ALA C1903 -6.939 -5.775 5.742 1.00 0.37 O ATOM 109 CB ALA C1903 -9.560 -6.161 3.513 1.00 0.66 C ATOM 0 H ALA C1903 -10.645 -7.698 5.093 1.00 0.36 H new ATOM 0 HA ALA C1903 -8.051 -7.524 4.267 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.868 -5.587 2.896 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -10.043 -6.924 2.903 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.317 -5.494 3.926 1.00 0.66 H new ATOM 115 N THR C1904 -8.935 -4.749 5.760 1.00 0.37 N ATOM 116 CA THR C1904 -8.451 -3.518 6.298 1.00 0.36 C ATOM 117 C THR C1904 -8.574 -3.514 7.812 1.00 0.34 C ATOM 118 O THR C1904 -8.270 -2.531 8.478 1.00 0.36 O ATOM 119 CB THR C1904 -9.204 -2.359 5.636 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.616 -2.499 5.846 1.00 0.42 O ATOM 121 CG2 THR C1904 -8.926 -2.371 4.138 1.00 0.40 C ATOM 0 H THR C1904 -9.949 -4.792 5.660 1.00 0.37 H new ATOM 0 HA THR C1904 -7.390 -3.398 6.079 1.00 0.36 H new ATOM 0 HB THR C1904 -8.866 -1.421 6.077 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.071 -2.564 4.980 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.460 -1.548 3.662 1.00 0.40 H new ATOM 0 HG22 THR C1904 -7.856 -2.257 3.966 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.264 -3.316 3.713 1.00 0.40 H new ATOM 129 N GLU C1905 -9.017 -4.645 8.345 1.00 0.32 N ATOM 130 CA GLU C1905 -8.875 -4.930 9.761 1.00 0.32 C ATOM 131 C GLU C1905 -7.413 -4.766 10.120 1.00 0.28 C ATOM 132 O GLU C1905 -7.039 -4.088 11.080 1.00 0.32 O ATOM 133 CB GLU C1905 -9.267 -6.373 10.028 1.00 0.36 C ATOM 134 CG GLU C1905 -9.088 -6.808 11.474 1.00 0.62 C ATOM 135 CD GLU C1905 -10.144 -6.238 12.394 1.00 1.25 C ATOM 136 OE1 GLU C1905 -9.966 -5.107 12.883 1.00 1.76 O ATOM 137 OE2 GLU C1905 -11.155 -6.926 12.641 1.00 2.06 O ATOM 0 H GLU C1905 -9.480 -5.382 7.812 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.507 -4.261 10.345 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.310 -6.513 9.744 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.672 -7.024 9.388 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.116 -7.896 11.527 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.103 -6.497 11.823 1.00 0.62 H new ATOM 144 N THR C1906 -6.596 -5.406 9.300 1.00 0.25 N ATOM 145 CA THR C1906 -5.165 -5.359 9.434 1.00 0.24 C ATOM 146 C THR C1906 -4.637 -3.991 9.020 1.00 0.21 C ATOM 147 O THR C1906 -3.521 -3.617 9.381 1.00 0.19 O ATOM 148 CB THR C1906 -4.517 -6.451 8.566 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.470 -7.500 8.326 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.299 -7.033 9.258 1.00 0.47 C ATOM 0 H THR C1906 -6.919 -5.976 8.518 1.00 0.25 H new ATOM 0 HA THR C1906 -4.909 -5.534 10.479 1.00 0.24 H new ATOM 0 HB THR C1906 -4.206 -6.005 7.622 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.058 -8.195 7.772 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.856 -7.804 8.627 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.569 -6.243 9.434 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.596 -7.471 10.211 1.00 0.47 H new ATOM 158 N ALA C1907 -5.448 -3.243 8.257 1.00 0.23 N ATOM 159 CA ALA C1907 -5.064 -1.891 7.859 1.00 0.21 C ATOM 160 C ALA C1907 -4.817 -1.022 9.076 1.00 0.21 C ATOM 161 O ALA C1907 -3.850 -0.266 9.114 1.00 0.21 O ATOM 162 CB ALA C1907 -6.099 -1.234 6.950 1.00 0.22 C ATOM 0 H ALA C1907 -6.357 -3.549 7.911 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.140 -1.984 7.289 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.765 -0.231 6.684 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.218 -1.829 6.045 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.054 -1.172 7.472 1.00 0.22 H new ATOM 168 N ASP C1908 -5.687 -1.142 10.071 1.00 0.24 N ATOM 169 CA ASP C1908 -5.530 -0.397 11.315 1.00 0.26 C ATOM 170 C ASP C1908 -4.164 -0.687 11.936 1.00 0.27 C ATOM 171 O ASP C1908 -3.485 0.221 12.409 1.00 0.34 O ATOM 172 CB ASP C1908 -6.645 -0.755 12.301 1.00 0.33 C ATOM 173 CG ASP C1908 -6.642 0.127 13.539 1.00 0.44 C ATOM 174 OD1 ASP C1908 -5.898 -0.185 14.494 1.00 0.68 O ATOM 175 OD2 ASP C1908 -7.371 1.143 13.557 1.00 0.58 O ATOM 0 H ASP C1908 -6.508 -1.747 10.042 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.596 0.667 11.090 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.609 -0.667 11.800 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.537 -1.797 12.602 1.00 0.33 H new ATOM 180 N ALA C1909 -3.749 -1.952 11.892 1.00 0.23 N ATOM 181 CA ALA C1909 -2.454 -2.352 12.437 1.00 0.24 C ATOM 182 C ALA C1909 -1.310 -1.789 11.594 1.00 0.22 C ATOM 183 O ALA C1909 -0.459 -1.059 12.108 1.00 0.24 O ATOM 184 CB ALA C1909 -2.352 -3.864 12.536 1.00 0.27 C ATOM 0 H ALA C1909 -4.290 -2.715 11.486 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.371 -1.939 13.442 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.379 -4.137 12.944 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.139 -4.240 13.190 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.465 -4.302 11.544 1.00 0.27 H new ATOM 190 N MET C1910 -1.278 -2.144 10.305 1.00 0.19 N ATOM 191 CA MET C1910 -0.342 -1.544 9.356 1.00 0.19 C ATOM 192 C MET C1910 -0.297 -0.020 9.454 1.00 0.19 C ATOM 193 O MET C1910 0.729 0.568 9.199 1.00 0.22 O ATOM 194 CB MET C1910 -0.690 -1.955 7.922 1.00 0.18 C ATOM 195 CG MET C1910 -0.013 -1.103 6.847 1.00 0.20 C ATOM 196 SD MET C1910 -0.437 -1.637 5.186 1.00 0.20 S ATOM 197 CE MET C1910 0.114 -3.337 5.243 1.00 0.14 C ATOM 0 H MET C1910 -1.894 -2.847 9.896 1.00 0.19 H new ATOM 0 HA MET C1910 0.647 -1.920 9.619 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.408 -2.998 7.775 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.770 -1.896 7.790 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.304 -0.061 6.976 1.00 0.20 H new ATOM 0 HG3 MET C1910 1.068 -1.151 6.977 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.037 -3.778 4.249 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.151 -3.372 5.576 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.510 -3.899 5.938 1.00 0.14 H new ATOM 207 N ASN C1911 -1.388 0.623 9.823 1.00 0.21 N ATOM 208 CA ASN C1911 -1.413 2.084 9.867 1.00 0.22 C ATOM 209 C ASN C1911 -0.546 2.633 10.989 1.00 0.23 C ATOM 210 O ASN C1911 0.104 3.672 10.840 1.00 0.27 O ATOM 211 CB ASN C1911 -2.836 2.594 10.036 1.00 0.24 C ATOM 212 CG ASN C1911 -2.908 4.095 9.897 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.798 4.835 10.877 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.078 4.549 8.672 1.00 0.25 N ATOM 0 H ASN C1911 -2.261 0.170 10.094 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.009 2.435 8.917 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.481 2.128 9.291 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.215 2.300 11.015 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.124 5.554 8.502 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.164 3.896 7.893 1.00 0.25 H new ATOM 221 N ARG C1912 -0.517 1.932 12.104 1.00 0.23 N ATOM 222 CA ARG C1912 0.243 2.393 13.255 1.00 0.26 C ATOM 223 C ARG C1912 1.723 2.331 12.925 1.00 0.28 C ATOM 224 O ARG C1912 2.505 3.204 13.306 1.00 0.38 O ATOM 225 CB ARG C1912 -0.050 1.533 14.482 1.00 0.30 C ATOM 226 CG ARG C1912 -1.514 1.137 14.627 1.00 0.75 C ATOM 227 CD ARG C1912 -2.454 2.314 14.399 1.00 1.46 C ATOM 228 NE ARG C1912 -2.363 3.326 15.448 1.00 2.17 N ATOM 229 CZ ARG C1912 -2.994 4.498 15.394 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.704 4.822 14.318 1.00 3.13 N ATOM 231 NH2 ARG C1912 -2.913 5.347 16.412 1.00 3.76 N ATOM 0 H ARG C1912 -1.006 1.047 12.241 1.00 0.23 H new ATOM 0 HA ARG C1912 -0.047 3.418 13.483 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.557 0.629 14.432 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.259 2.076 15.375 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.747 0.345 13.915 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.681 0.729 15.624 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.226 2.773 13.437 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -3.479 1.948 14.342 1.00 1.46 H new ATOM 0 HE ARG C1912 -1.786 3.125 16.265 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.766 4.173 13.533 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -4.187 5.719 14.277 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -2.367 5.102 17.238 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -3.397 6.244 16.368 1.00 3.76 H new ATOM 245 N GLU C1913 2.087 1.300 12.186 1.00 0.23 N ATOM 246 CA GLU C1913 3.459 1.104 11.772 1.00 0.25 C ATOM 247 C GLU C1913 3.752 1.847 10.478 1.00 0.22 C ATOM 248 O GLU C1913 4.866 2.264 10.259 1.00 0.27 O ATOM 249 CB GLU C1913 3.737 -0.379 11.582 1.00 0.29 C ATOM 250 CG GLU C1913 2.832 -1.017 10.550 1.00 0.29 C ATOM 251 CD GLU C1913 3.038 -2.504 10.432 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.496 -3.121 11.421 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.714 -3.070 9.371 1.00 0.57 O ATOM 0 H GLU C1913 1.443 0.580 11.859 1.00 0.23 H new ATOM 0 HA GLU C1913 4.108 1.501 12.553 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.776 -0.514 11.281 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.612 -0.893 12.535 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.793 -0.819 10.813 1.00 0.29 H new ATOM 0 HG3 GLU C1913 3.010 -0.552 9.580 1.00 0.29 H new ATOM 260 N VAL C1914 2.743 2.017 9.630 1.00 0.19 N ATOM 261 CA VAL C1914 2.925 2.656 8.328 1.00 0.20 C ATOM 262 C VAL C1914 3.393 4.076 8.516 1.00 0.18 C ATOM 263 O VAL C1914 4.211 4.581 7.764 1.00 0.20 O ATOM 264 CB VAL C1914 1.620 2.650 7.480 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.695 3.797 7.846 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.928 2.695 6.002 1.00 0.29 C ATOM 0 H VAL C1914 1.786 1.720 9.821 1.00 0.19 H new ATOM 0 HA VAL C1914 3.675 2.080 7.787 1.00 0.20 H new ATOM 0 HB VAL C1914 1.107 1.716 7.708 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.202 3.752 7.229 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.417 3.719 8.897 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.206 4.745 7.675 1.00 0.26 H new ATOM 0 HG21 VAL C1914 0.997 2.690 5.436 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.486 3.603 5.774 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.524 1.825 5.728 1.00 0.29 H new ATOM 276 N SER C1915 2.892 4.705 9.550 1.00 0.21 N ATOM 277 CA SER C1915 3.211 6.074 9.805 1.00 0.28 C ATOM 278 C SER C1915 4.576 6.180 10.477 1.00 0.28 C ATOM 279 O SER C1915 5.282 7.175 10.319 1.00 0.36 O ATOM 280 CB SER C1915 2.099 6.686 10.626 1.00 0.36 C ATOM 281 OG SER C1915 1.744 5.853 11.717 1.00 1.31 O ATOM 0 H SER C1915 2.259 4.282 10.228 1.00 0.21 H new ATOM 0 HA SER C1915 3.285 6.634 8.873 1.00 0.28 H new ATOM 0 HB2 SER C1915 2.413 7.661 10.998 1.00 0.36 H new ATOM 0 HB3 SER C1915 1.227 6.852 9.994 1.00 0.36 H new ATOM 0 HG SER C1915 1.083 5.192 11.422 1.00 1.31 H new ATOM 287 N SER C1916 4.944 5.132 11.213 1.00 0.25 N ATOM 288 CA SER C1916 6.262 5.051 11.831 1.00 0.27 C ATOM 289 C SER C1916 7.310 4.562 10.819 1.00 0.27 C ATOM 290 O SER C1916 8.465 4.985 10.848 1.00 0.29 O ATOM 291 CB SER C1916 6.206 4.113 13.044 1.00 0.31 C ATOM 292 OG SER C1916 7.456 4.047 13.709 1.00 1.04 O ATOM 0 H SER C1916 4.345 4.327 11.395 1.00 0.25 H new ATOM 0 HA SER C1916 6.556 6.046 12.163 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.441 4.460 13.739 1.00 0.31 H new ATOM 0 HB3 SER C1916 5.912 3.115 12.720 1.00 0.31 H new ATOM 0 HG SER C1916 7.386 3.443 14.477 1.00 1.04 H new ATOM 298 N LEU C1917 6.896 3.672 9.924 1.00 0.30 N ATOM 299 CA LEU C1917 7.775 3.128 8.907 1.00 0.30 C ATOM 300 C LEU C1917 7.996 4.153 7.805 1.00 0.26 C ATOM 301 O LEU C1917 9.132 4.425 7.423 1.00 0.26 O ATOM 302 CB LEU C1917 7.215 1.811 8.337 1.00 0.42 C ATOM 303 CG LEU C1917 8.157 1.045 7.390 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.639 -0.350 7.112 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.316 1.775 6.082 1.00 1.16 C ATOM 0 H LEU C1917 5.943 3.311 9.887 1.00 0.30 H new ATOM 0 HA LEU C1917 8.737 2.901 9.366 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.954 1.157 9.169 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.291 2.031 7.803 1.00 0.42 H new ATOM 0 HG LEU C1917 9.124 0.976 7.888 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.325 -0.866 6.441 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.563 -0.903 8.048 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.655 -0.287 6.647 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.986 1.213 5.431 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.343 1.876 5.601 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.734 2.765 6.266 1.00 1.16 H new ATOM 317 N LYS C1918 6.920 4.713 7.281 1.00 0.28 N ATOM 318 CA LYS C1918 7.035 5.789 6.307 1.00 0.29 C ATOM 319 C LYS C1918 7.847 6.950 6.899 1.00 0.32 C ATOM 320 O LYS C1918 8.412 7.763 6.176 1.00 0.38 O ATOM 321 CB LYS C1918 5.638 6.209 5.840 1.00 0.39 C ATOM 322 CG LYS C1918 5.515 7.622 5.335 1.00 0.29 C ATOM 323 CD LYS C1918 4.981 8.526 6.422 1.00 0.40 C ATOM 324 CE LYS C1918 5.365 9.953 6.140 1.00 0.69 C ATOM 325 NZ LYS C1918 4.588 10.556 5.019 1.00 1.36 N ATOM 0 H LYS C1918 5.963 4.445 7.510 1.00 0.28 H new ATOM 0 HA LYS C1918 7.578 5.447 5.426 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.321 5.531 5.048 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.943 6.077 6.669 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.488 7.981 5.000 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.851 7.650 4.471 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.896 8.437 6.480 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.378 8.218 7.390 1.00 0.40 H new ATOM 0 HE2 LYS C1918 5.214 10.548 7.040 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.428 9.997 5.903 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.170 11.271 4.538 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 4.323 9.813 4.341 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 3.728 11.005 5.395 1.00 1.36 H new ATOM 339 N ASN C1919 7.927 6.983 8.227 1.00 0.31 N ATOM 340 CA ASN C1919 8.751 7.944 8.948 1.00 0.33 C ATOM 341 C ASN C1919 10.227 7.523 8.910 1.00 0.32 C ATOM 342 O ASN C1919 11.110 8.373 8.845 1.00 0.41 O ATOM 343 CB ASN C1919 8.270 8.054 10.404 1.00 0.37 C ATOM 344 CG ASN C1919 8.791 9.282 11.134 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.877 9.787 10.857 1.00 1.05 O ATOM 346 ND2 ASN C1919 8.008 9.773 12.079 1.00 1.15 N ATOM 0 H ASN C1919 7.419 6.340 8.834 1.00 0.31 H new ATOM 0 HA ASN C1919 8.658 8.917 8.466 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.180 8.071 10.416 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.580 7.162 10.947 1.00 0.37 H new ATOM 0 HD21 ASN C1919 8.299 10.597 12.605 1.00 1.15 H new ATOM 0 HD22 ASN C1919 7.113 9.328 12.282 1.00 1.15 H new ATOM 353 N LYS C1920 10.499 6.211 8.915 1.00 0.28 N ATOM 354 CA LYS C1920 11.875 5.732 8.864 1.00 0.37 C ATOM 355 C LYS C1920 12.371 5.719 7.428 1.00 0.41 C ATOM 356 O LYS C1920 13.558 5.907 7.169 1.00 0.53 O ATOM 357 CB LYS C1920 12.083 4.357 9.548 1.00 0.48 C ATOM 358 CG LYS C1920 10.934 3.344 9.464 1.00 0.33 C ATOM 359 CD LYS C1920 11.291 2.074 10.232 1.00 0.44 C ATOM 360 CE LYS C1920 10.192 1.022 10.145 1.00 1.36 C ATOM 361 NZ LYS C1920 10.607 -0.275 10.750 1.00 1.64 N ATOM 0 H LYS C1920 9.792 5.477 8.953 1.00 0.28 H new ATOM 0 HA LYS C1920 12.473 6.434 9.444 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.970 3.896 9.114 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.299 4.534 10.602 1.00 0.48 H new ATOM 0 HG2 LYS C1920 10.024 3.781 9.874 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.729 3.101 8.421 1.00 0.33 H new ATOM 0 HD2 LYS C1920 12.219 1.661 9.837 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.472 2.322 11.278 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.299 1.389 10.652 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.924 0.865 9.100 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 9.762 -0.816 11.025 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 11.157 -0.821 10.057 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 11.192 -0.095 11.591 1.00 1.64 H new ATOM 375 N LEU C1921 11.458 5.542 6.489 1.00 0.38 N ATOM 376 CA LEU C1921 11.803 5.670 5.081 1.00 0.46 C ATOM 377 C LEU C1921 12.019 7.143 4.749 1.00 0.59 C ATOM 378 O LEU C1921 12.724 7.495 3.805 1.00 0.92 O ATOM 379 CB LEU C1921 10.713 5.063 4.188 1.00 0.44 C ATOM 380 CG LEU C1921 10.338 3.612 4.507 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.639 2.955 3.330 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.556 2.798 4.915 1.00 0.48 C ATOM 0 H LEU C1921 10.481 5.311 6.671 1.00 0.38 H new ATOM 0 HA LEU C1921 12.724 5.119 4.889 1.00 0.46 H new ATOM 0 HB2 LEU C1921 9.817 5.678 4.267 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.045 5.116 3.151 1.00 0.44 H new ATOM 0 HG LEU C1921 9.648 3.637 5.350 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.385 1.926 3.586 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.728 3.506 3.094 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.301 2.961 2.464 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.253 1.774 5.134 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.281 2.796 4.101 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.008 3.240 5.803 1.00 0.48 H new ATOM 394 N ARG C1922 11.410 7.991 5.559 1.00 0.49 N ATOM 395 CA ARG C1922 11.590 9.433 5.479 1.00 0.66 C ATOM 396 C ARG C1922 12.707 9.913 6.412 1.00 0.65 C ATOM 397 O ARG C1922 12.966 11.112 6.508 1.00 0.78 O ATOM 398 CB ARG C1922 10.282 10.134 5.851 1.00 0.87 C ATOM 399 CG ARG C1922 9.305 10.322 4.701 1.00 1.15 C ATOM 400 CD ARG C1922 9.915 11.091 3.534 1.00 1.07 C ATOM 401 NE ARG C1922 10.495 12.375 3.940 1.00 1.64 N ATOM 402 CZ ARG C1922 9.801 13.511 4.086 1.00 2.45 C ATOM 403 NH1 ARG C1922 8.484 13.534 3.908 1.00 2.92 N ATOM 404 NH2 ARG C1922 10.436 14.630 4.417 1.00 3.23 N ATOM 0 H ARG C1922 10.771 7.697 6.298 1.00 0.49 H new ATOM 0 HA ARG C1922 11.872 9.681 4.456 1.00 0.66 H new ATOM 0 HB2 ARG C1922 9.790 9.560 6.636 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.518 11.112 6.271 1.00 0.87 H new ATOM 0 HG2 ARG C1922 8.968 9.346 4.352 1.00 1.15 H new ATOM 0 HG3 ARG C1922 8.424 10.853 5.061 1.00 1.15 H new ATOM 0 HD2 ARG C1922 10.687 10.480 3.067 1.00 1.07 H new ATOM 0 HD3 ARG C1922 9.148 11.266 2.780 1.00 1.07 H new ATOM 0 HE ARG C1922 11.498 12.405 4.124 1.00 1.64 H new ATOM 0 HH11 ARG C1922 7.988 12.679 3.657 1.00 2.92 H new ATOM 0 HH12 ARG C1922 7.969 14.407 4.023 1.00 2.92 H new ATOM 0 HH21 ARG C1922 11.446 14.620 4.558 1.00 3.23 H new ATOM 0 HH22 ARG C1922 9.913 15.499 4.530 1.00 3.23 H new ATOM 461 N LEU C1926 17.422 5.843 4.234 1.00 0.64 N ATOM 462 CA LEU C1926 16.917 5.185 3.045 1.00 0.60 C ATOM 463 C LEU C1926 17.691 5.534 1.782 1.00 0.54 C ATOM 464 O LEU C1926 17.937 6.703 1.486 1.00 0.72 O ATOM 465 CB LEU C1926 15.445 5.532 2.844 1.00 0.93 C ATOM 466 CG LEU C1926 14.446 4.635 3.571 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.475 4.052 2.560 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.151 3.521 4.328 1.00 0.57 C ATOM 0 HA LEU C1926 17.044 4.115 3.211 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.286 6.560 3.170 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.226 5.498 1.777 1.00 0.93 H new ATOM 0 HG LEU C1926 13.903 5.235 4.301 1.00 0.48 H new ATOM 0 HD11 LEU C1926 12.758 3.410 3.072 1.00 0.56 H new ATOM 0 HD12 LEU C1926 12.944 4.860 2.058 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.025 3.466 1.823 1.00 0.56 H new ATOM 0 HD21 LEU C1926 14.412 2.901 4.834 1.00 0.57 H new ATOM 0 HD22 LEU C1926 15.720 2.909 3.628 1.00 0.57 H new ATOM 0 HD23 LEU C1926 15.828 3.954 5.065 1.00 0.57 H new ATOM 480 N PRO C1927 18.074 4.491 1.027 1.00 0.46 N ATOM 481 CA PRO C1927 18.619 4.630 -0.325 1.00 0.55 C ATOM 482 C PRO C1927 17.519 4.807 -1.355 1.00 0.63 C ATOM 483 O PRO C1927 17.787 4.915 -2.552 1.00 1.12 O ATOM 484 CB PRO C1927 19.300 3.290 -0.565 1.00 0.54 C ATOM 485 CG PRO C1927 18.514 2.321 0.248 1.00 0.44 C ATOM 486 CD PRO C1927 18.034 3.080 1.457 1.00 0.41 C ATOM 0 HA PRO C1927 19.275 5.496 -0.413 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.289 3.023 -1.622 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.344 3.314 -0.254 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.674 1.926 -0.323 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.129 1.470 0.541 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.027 2.778 1.745 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.677 2.906 2.320 1.00 0.41 H new ATOM 494 N PHE C1928 16.283 4.798 -0.883 1.00 0.30 N ATOM 495 CA PHE C1928 15.136 4.846 -1.760 1.00 0.27 C ATOM 496 C PHE C1928 14.090 5.788 -1.191 1.00 0.27 C ATOM 497 O PHE C1928 13.861 5.802 0.016 1.00 0.31 O ATOM 498 CB PHE C1928 14.595 3.421 -1.981 1.00 0.24 C ATOM 499 CG PHE C1928 13.322 3.052 -1.282 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.143 3.737 -1.507 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.310 1.989 -0.415 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.989 3.375 -0.874 1.00 0.33 C ATOM 503 CE2 PHE C1928 12.146 1.611 0.220 1.00 0.29 C ATOM 504 CZ PHE C1928 10.986 2.312 -0.011 1.00 0.27 C ATOM 0 H PHE C1928 16.053 4.758 0.110 1.00 0.30 H new ATOM 0 HA PHE C1928 15.422 5.239 -2.735 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.445 3.280 -3.051 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.366 2.716 -1.671 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.135 4.571 -2.194 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.222 1.442 -0.228 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.078 3.927 -1.054 1.00 0.33 H new ATOM 0 HE2 PHE C1928 12.145 0.768 0.896 1.00 0.29 H new ATOM 0 HZ PHE C1928 10.073 2.024 0.488 1.00 0.27 H new ATOM 514 N VAL C1929 13.456 6.559 -2.071 1.00 0.25 N ATOM 515 CA VAL C1929 12.473 7.563 -1.677 1.00 0.25 C ATOM 516 C VAL C1929 11.627 8.002 -2.847 1.00 0.25 C ATOM 517 O VAL C1929 12.036 7.891 -4.000 1.00 0.27 O ATOM 518 CB VAL C1929 13.141 8.821 -1.124 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.518 8.632 0.324 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.347 9.139 -1.975 1.00 0.62 C ATOM 0 H VAL C1929 13.610 6.505 -3.078 1.00 0.25 H new ATOM 0 HA VAL C1929 11.858 7.087 -0.913 1.00 0.25 H new ATOM 0 HB VAL C1929 12.446 9.660 -1.163 1.00 0.29 H new ATOM 0 HG11 VAL C1929 13.992 9.539 0.698 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.622 8.423 0.909 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.213 7.797 0.413 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.836 10.035 -1.593 1.00 0.62 H new ATOM 0 HG22 VAL C1929 15.046 8.303 -1.943 1.00 0.62 H new ATOM 0 HG23 VAL C1929 14.031 9.308 -3.004 1.00 0.62 H new ATOM 530 N VAL C1930 10.465 8.545 -2.542 1.00 0.26 N ATOM 531 CA VAL C1930 9.602 9.077 -3.569 1.00 0.26 C ATOM 532 C VAL C1930 10.148 10.395 -4.107 1.00 0.29 C ATOM 533 O VAL C1930 10.467 11.309 -3.343 1.00 0.32 O ATOM 534 CB VAL C1930 8.170 9.314 -3.068 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.311 9.860 -4.194 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.567 8.040 -2.518 1.00 0.32 C ATOM 0 H VAL C1930 10.100 8.628 -1.593 1.00 0.26 H new ATOM 0 HA VAL C1930 9.575 8.327 -4.359 1.00 0.26 H new ATOM 0 HB VAL C1930 8.207 10.044 -2.260 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.297 10.025 -3.831 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.729 10.803 -4.546 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.290 9.144 -5.015 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.553 8.238 -2.171 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.541 7.282 -3.301 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.172 7.681 -1.686 1.00 0.32 H new ATOM 546 N PRO C1931 10.307 10.478 -5.429 1.00 0.34 N ATOM 547 CA PRO C1931 10.608 11.733 -6.125 1.00 0.42 C ATOM 548 C PRO C1931 9.495 12.767 -5.930 1.00 0.45 C ATOM 549 O PRO C1931 8.429 12.451 -5.403 1.00 0.45 O ATOM 550 CB PRO C1931 10.719 11.318 -7.599 1.00 0.56 C ATOM 551 CG PRO C1931 10.078 9.972 -7.687 1.00 0.48 C ATOM 552 CD PRO C1931 10.239 9.335 -6.340 1.00 0.36 C ATOM 0 HA PRO C1931 11.514 12.208 -5.748 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.215 12.035 -8.247 1.00 0.56 H new ATOM 0 HB3 PRO C1931 11.761 11.278 -7.917 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.024 10.061 -7.951 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.550 9.367 -8.461 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.400 8.681 -6.102 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.142 8.726 -6.289 1.00 0.36 H new ATOM 560 N ARG C1932 9.740 14.004 -6.350 1.00 0.54 N ATOM 561 CA ARG C1932 8.768 15.077 -6.160 1.00 0.70 C ATOM 562 C ARG C1932 7.463 14.758 -6.882 1.00 0.89 C ATOM 563 O ARG C1932 6.382 15.172 -6.462 1.00 1.79 O ATOM 564 CB ARG C1932 9.333 16.414 -6.645 1.00 0.83 C ATOM 565 CG ARG C1932 8.408 17.593 -6.385 1.00 1.53 C ATOM 566 CD ARG C1932 8.115 17.763 -4.900 1.00 2.00 C ATOM 567 NE ARG C1932 7.141 18.825 -4.655 1.00 2.79 N ATOM 568 CZ ARG C1932 6.671 19.149 -3.448 1.00 3.62 C ATOM 569 NH1 ARG C1932 7.110 18.516 -2.363 1.00 3.88 N ATOM 570 NH2 ARG C1932 5.768 20.114 -3.328 1.00 4.56 N ATOM 0 H ARG C1932 10.598 14.288 -6.822 1.00 0.54 H new ATOM 0 HA ARG C1932 8.560 15.159 -5.093 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.288 16.596 -6.152 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.533 16.348 -7.714 1.00 0.83 H new ATOM 0 HG2 ARG C1932 8.863 18.505 -6.773 1.00 1.53 H new ATOM 0 HG3 ARG C1932 7.473 17.448 -6.926 1.00 1.53 H new ATOM 0 HD2 ARG C1932 7.738 16.824 -4.494 1.00 2.00 H new ATOM 0 HD3 ARG C1932 9.041 17.990 -4.371 1.00 2.00 H new ATOM 0 HE ARG C1932 6.798 19.353 -5.458 1.00 2.79 H new ATOM 0 HH11 ARG C1932 7.809 17.779 -2.451 1.00 3.88 H new ATOM 0 HH12 ARG C1932 6.747 18.768 -1.444 1.00 3.88 H new ATOM 0 HH21 ARG C1932 5.435 20.606 -4.157 1.00 4.56 H new ATOM 0 HH22 ARG C1932 5.407 20.363 -2.407 1.00 4.56 H new ATOM 584 N ARG C1933 7.580 14.028 -7.971 1.00 0.74 N ATOM 585 CA ARG C1933 6.431 13.528 -8.701 1.00 0.76 C ATOM 586 C ARG C1933 6.665 12.058 -8.975 1.00 0.65 C ATOM 587 O ARG C1933 7.566 11.464 -8.393 1.00 0.69 O ATOM 588 CB ARG C1933 6.253 14.290 -10.020 1.00 0.95 C ATOM 589 CG ARG C1933 6.058 15.789 -9.848 1.00 1.66 C ATOM 590 CD ARG C1933 5.895 16.484 -11.189 1.00 1.80 C ATOM 591 NE ARG C1933 4.726 15.997 -11.919 1.00 2.56 N ATOM 592 CZ ARG C1933 4.548 16.143 -13.230 1.00 2.86 C ATOM 593 NH1 ARG C1933 5.471 16.744 -13.967 1.00 2.53 N ATOM 594 NH2 ARG C1933 3.442 15.684 -13.802 1.00 3.92 N ATOM 0 H ARG C1933 8.477 13.763 -8.377 1.00 0.74 H new ATOM 0 HA ARG C1933 5.524 13.670 -8.114 1.00 0.76 H new ATOM 0 HB2 ARG C1933 7.127 14.118 -10.648 1.00 0.95 H new ATOM 0 HB3 ARG C1933 5.393 13.881 -10.551 1.00 0.95 H new ATOM 0 HG2 ARG C1933 5.179 15.975 -9.231 1.00 1.66 H new ATOM 0 HG3 ARG C1933 6.913 16.210 -9.320 1.00 1.66 H new ATOM 0 HD2 ARG C1933 5.802 17.559 -11.032 1.00 1.80 H new ATOM 0 HD3 ARG C1933 6.790 16.326 -11.791 1.00 1.80 H new ATOM 0 HE ARG C1933 4.000 15.514 -11.390 1.00 2.56 H new ATOM 0 HH11 ARG C1933 6.322 17.097 -13.530 1.00 2.53 H new ATOM 0 HH12 ARG C1933 5.330 16.853 -14.971 1.00 2.53 H new ATOM 0 HH21 ARG C1933 2.730 15.220 -13.237 1.00 3.92 H new ATOM 0 HH22 ARG C1933 3.304 15.795 -14.806 1.00 3.92 H new ATOM 654 N ALA A 2 1.652 -2.704 -17.828 1.00 0.37 N ATOM 655 CA ALA A 2 2.243 -1.550 -17.173 1.00 0.33 C ATOM 656 C ALA A 2 3.341 -2.022 -16.233 1.00 0.30 C ATOM 657 O ALA A 2 3.531 -3.228 -16.070 1.00 0.39 O ATOM 658 CB ALA A 2 1.181 -0.773 -16.410 1.00 0.33 C ATOM 0 HA ALA A 2 2.672 -0.885 -17.922 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.639 0.089 -15.925 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.411 -0.433 -17.103 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.731 -1.418 -15.655 1.00 0.33 H new ATOM 664 N CYS A 3 4.070 -1.094 -15.630 1.00 0.29 N ATOM 665 CA CYS A 3 5.042 -1.446 -14.619 1.00 0.27 C ATOM 666 C CYS A 3 4.298 -1.710 -13.321 1.00 0.22 C ATOM 667 O CYS A 3 3.853 -0.779 -12.649 1.00 0.21 O ATOM 668 CB CYS A 3 6.068 -0.329 -14.452 1.00 0.32 C ATOM 669 SG CYS A 3 6.893 0.136 -15.992 1.00 0.43 S ATOM 0 H CYS A 3 4.003 -0.095 -15.826 1.00 0.29 H new ATOM 0 HA CYS A 3 5.589 -2.341 -14.915 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.572 0.548 -14.036 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.820 -0.643 -13.728 1.00 0.32 H new ATOM 0 HG CYS A 3 7.744 1.091 -15.757 1.00 0.43 H new ATOM 675 N PRO A 4 4.135 -2.993 -12.976 1.00 0.20 N ATOM 676 CA PRO A 4 3.218 -3.431 -11.918 1.00 0.18 C ATOM 677 C PRO A 4 3.437 -2.722 -10.594 1.00 0.16 C ATOM 678 O PRO A 4 2.570 -1.985 -10.121 1.00 0.16 O ATOM 679 CB PRO A 4 3.580 -4.906 -11.763 1.00 0.21 C ATOM 680 CG PRO A 4 4.078 -5.309 -13.098 1.00 0.24 C ATOM 681 CD PRO A 4 4.850 -4.128 -13.589 1.00 0.24 C ATOM 0 HA PRO A 4 2.180 -3.224 -12.179 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.341 -5.049 -10.996 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.714 -5.498 -11.467 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.709 -6.195 -13.034 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.255 -5.551 -13.771 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.893 -4.167 -13.274 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.848 -4.067 -14.677 1.00 0.24 H new ATOM 689 N LEU A 5 4.613 -2.910 -10.020 1.00 0.16 N ATOM 690 CA LEU A 5 4.897 -2.382 -8.699 1.00 0.17 C ATOM 691 C LEU A 5 5.086 -0.872 -8.772 1.00 0.19 C ATOM 692 O LEU A 5 4.945 -0.174 -7.776 1.00 0.24 O ATOM 693 CB LEU A 5 6.132 -3.070 -8.106 1.00 0.17 C ATOM 694 CG LEU A 5 5.995 -3.540 -6.650 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.837 -2.365 -5.709 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.822 -4.495 -6.498 1.00 0.20 C ATOM 0 H LEU A 5 5.384 -3.423 -10.448 1.00 0.16 H new ATOM 0 HA LEU A 5 4.053 -2.587 -8.041 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.378 -3.932 -8.726 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.975 -2.381 -8.169 1.00 0.17 H new ATOM 0 HG LEU A 5 6.911 -4.069 -6.387 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.742 -2.728 -4.686 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.711 -1.718 -5.785 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.944 -1.801 -5.978 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.745 -4.814 -5.459 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.902 -3.990 -6.792 1.00 0.20 H new ATOM 0 HD23 LEU A 5 4.977 -5.366 -7.135 1.00 0.20 H new ATOM 708 N GLU A 6 5.378 -0.368 -9.964 1.00 0.19 N ATOM 709 CA GLU A 6 5.490 1.068 -10.165 1.00 0.23 C ATOM 710 C GLU A 6 4.124 1.720 -10.019 1.00 0.21 C ATOM 711 O GLU A 6 3.935 2.641 -9.221 1.00 0.25 O ATOM 712 CB GLU A 6 6.056 1.397 -11.547 1.00 0.32 C ATOM 713 CG GLU A 6 6.086 2.890 -11.851 1.00 0.47 C ATOM 714 CD GLU A 6 6.360 3.191 -13.313 1.00 0.90 C ATOM 715 OE1 GLU A 6 7.547 3.318 -13.683 1.00 1.39 O ATOM 716 OE2 GLU A 6 5.389 3.310 -14.094 1.00 1.78 O ATOM 0 H GLU A 6 5.540 -0.929 -10.800 1.00 0.19 H new ATOM 0 HA GLU A 6 6.173 1.456 -9.409 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.068 0.999 -11.621 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.458 0.892 -12.306 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.131 3.332 -11.567 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.852 3.365 -11.238 1.00 0.47 H new ATOM 723 N LYS A 7 3.170 1.217 -10.792 1.00 0.18 N ATOM 724 CA LYS A 7 1.834 1.775 -10.807 1.00 0.20 C ATOM 725 C LYS A 7 1.139 1.596 -9.470 1.00 0.17 C ATOM 726 O LYS A 7 0.290 2.394 -9.117 1.00 0.19 O ATOM 727 CB LYS A 7 1.002 1.176 -11.947 1.00 0.26 C ATOM 728 CG LYS A 7 1.232 1.881 -13.270 1.00 0.41 C ATOM 729 CD LYS A 7 0.670 3.294 -13.231 1.00 0.90 C ATOM 730 CE LYS A 7 1.145 4.132 -14.401 1.00 0.83 C ATOM 731 NZ LYS A 7 2.613 4.379 -14.356 1.00 1.16 N ATOM 0 H LYS A 7 3.302 0.421 -11.417 1.00 0.18 H new ATOM 0 HA LYS A 7 1.927 2.846 -10.984 1.00 0.20 H new ATOM 0 HB2 LYS A 7 1.248 0.120 -12.055 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -0.055 1.232 -11.689 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.299 1.915 -13.489 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.759 1.318 -14.075 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -0.419 3.250 -13.236 1.00 0.90 H new ATOM 0 HD3 LYS A 7 0.965 3.775 -12.298 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.891 3.628 -15.334 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.617 5.086 -14.401 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 2.849 5.182 -14.973 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 2.899 4.596 -13.380 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 3.118 3.531 -14.684 1.00 1.16 H new ATOM 745 N ALA A 8 1.522 0.572 -8.721 1.00 0.18 N ATOM 746 CA ALA A 8 0.944 0.335 -7.401 1.00 0.19 C ATOM 747 C ALA A 8 0.953 1.605 -6.549 1.00 0.17 C ATOM 748 O ALA A 8 -0.085 2.010 -6.034 1.00 0.21 O ATOM 749 CB ALA A 8 1.684 -0.788 -6.691 1.00 0.20 C ATOM 0 H ALA A 8 2.229 -0.108 -9.002 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.095 0.038 -7.541 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.241 -0.952 -5.709 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.609 -1.702 -7.280 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.733 -0.516 -6.575 1.00 0.20 H new ATOM 755 N LEU A 9 2.114 2.244 -6.423 1.00 0.14 N ATOM 756 CA LEU A 9 2.213 3.469 -5.628 1.00 0.14 C ATOM 757 C LEU A 9 1.718 4.672 -6.423 1.00 0.13 C ATOM 758 O LEU A 9 1.127 5.599 -5.867 1.00 0.16 O ATOM 759 CB LEU A 9 3.650 3.731 -5.149 1.00 0.15 C ATOM 760 CG LEU A 9 4.330 2.581 -4.398 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.353 1.898 -3.459 1.00 0.19 C ATOM 762 CD2 LEU A 9 4.931 1.576 -5.358 1.00 0.15 C ATOM 0 H LEU A 9 2.988 1.941 -6.853 1.00 0.14 H new ATOM 0 HA LEU A 9 1.581 3.326 -4.751 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.260 3.983 -6.016 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.641 4.607 -4.500 1.00 0.15 H new ATOM 0 HG LEU A 9 5.140 3.007 -3.806 1.00 0.16 H new ATOM 0 HD11 LEU A 9 3.858 1.085 -2.937 1.00 0.19 H new ATOM 0 HD12 LEU A 9 2.981 2.620 -2.732 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.517 1.497 -4.032 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.406 0.773 -4.794 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.145 1.161 -5.989 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.675 2.070 -5.983 1.00 0.15 H new ATOM 774 N ASP A 10 1.963 4.644 -7.729 1.00 0.14 N ATOM 775 CA ASP A 10 1.535 5.721 -8.625 1.00 0.15 C ATOM 776 C ASP A 10 0.027 5.916 -8.564 1.00 0.15 C ATOM 777 O ASP A 10 -0.461 7.018 -8.305 1.00 0.18 O ATOM 778 CB ASP A 10 1.957 5.407 -10.065 1.00 0.19 C ATOM 779 CG ASP A 10 1.345 6.357 -11.081 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.930 7.427 -11.336 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.282 6.030 -11.641 1.00 1.18 O ATOM 0 H ASP A 10 2.458 3.884 -8.196 1.00 0.14 H new ATOM 0 HA ASP A 10 2.016 6.643 -8.298 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.043 5.455 -10.139 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.666 4.385 -10.309 1.00 0.19 H new ATOM 786 N VAL A 11 -0.704 4.833 -8.772 1.00 0.16 N ATOM 787 CA VAL A 11 -2.152 4.885 -8.839 1.00 0.18 C ATOM 788 C VAL A 11 -2.755 5.153 -7.467 1.00 0.18 C ATOM 789 O VAL A 11 -3.878 5.639 -7.363 1.00 0.23 O ATOM 790 CB VAL A 11 -2.734 3.584 -9.420 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.049 3.252 -10.735 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.609 2.434 -8.429 1.00 0.18 C ATOM 0 H VAL A 11 -0.312 3.900 -8.898 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.414 5.708 -9.504 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.797 3.734 -9.610 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.466 2.330 -11.140 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.209 4.065 -11.444 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.980 3.123 -10.566 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -3.029 1.529 -8.868 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.558 2.269 -8.193 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.151 2.680 -7.516 1.00 0.18 H new ATOM 802 N MET A 12 -1.997 4.839 -6.421 1.00 0.16 N ATOM 803 CA MET A 12 -2.421 5.115 -5.057 1.00 0.20 C ATOM 804 C MET A 12 -2.740 6.583 -4.874 1.00 0.24 C ATOM 805 O MET A 12 -3.766 6.923 -4.306 1.00 0.40 O ATOM 806 CB MET A 12 -1.344 4.701 -4.067 1.00 0.25 C ATOM 807 CG MET A 12 -1.420 3.246 -3.673 1.00 0.17 C ATOM 808 SD MET A 12 0.025 2.712 -2.754 1.00 0.72 S ATOM 809 CE MET A 12 -0.541 1.138 -2.158 1.00 0.19 C ATOM 0 H MET A 12 -1.083 4.392 -6.495 1.00 0.16 H new ATOM 0 HA MET A 12 -3.324 4.534 -4.868 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.365 4.901 -4.502 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.427 5.317 -3.172 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.313 3.082 -3.069 1.00 0.17 H new ATOM 0 HG3 MET A 12 -1.524 2.634 -4.569 1.00 0.17 H new ATOM 0 HE1 MET A 12 0.309 0.558 -1.798 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.248 1.291 -1.342 1.00 0.19 H new ATOM 0 HE3 MET A 12 -1.032 0.598 -2.967 1.00 0.19 H new ATOM 819 N VAL A 13 -1.848 7.445 -5.345 1.00 0.17 N ATOM 820 CA VAL A 13 -2.067 8.883 -5.259 1.00 0.19 C ATOM 821 C VAL A 13 -2.760 9.426 -6.513 1.00 0.20 C ATOM 822 O VAL A 13 -3.339 10.511 -6.490 1.00 0.28 O ATOM 823 CB VAL A 13 -0.756 9.653 -5.005 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.206 9.341 -3.623 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.279 9.332 -6.064 1.00 0.19 C ATOM 0 H VAL A 13 -0.970 7.175 -5.789 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.725 9.042 -4.404 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.982 10.718 -5.058 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.719 9.895 -3.466 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.936 9.631 -2.867 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -0.007 8.272 -3.544 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.193 9.889 -5.860 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.494 8.264 -6.050 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.105 9.612 -7.045 1.00 0.19 H new ATOM 835 N SER A 14 -2.706 8.667 -7.603 1.00 0.19 N ATOM 836 CA SER A 14 -3.329 9.077 -8.860 1.00 0.22 C ATOM 837 C SER A 14 -4.845 8.872 -8.809 1.00 0.24 C ATOM 838 O SER A 14 -5.615 9.828 -8.915 1.00 0.28 O ATOM 839 CB SER A 14 -2.718 8.290 -10.022 1.00 0.24 C ATOM 840 OG SER A 14 -3.204 8.742 -11.274 1.00 1.12 O ATOM 0 H SER A 14 -2.236 7.762 -7.643 1.00 0.19 H new ATOM 0 HA SER A 14 -3.140 10.139 -9.014 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.633 8.387 -9.996 1.00 0.24 H new ATOM 0 HB3 SER A 14 -2.946 7.231 -9.904 1.00 0.24 H new ATOM 0 HG SER A 14 -2.792 8.219 -11.993 1.00 1.12 H new ATOM 846 N THR A 15 -5.264 7.623 -8.628 1.00 0.25 N ATOM 847 CA THR A 15 -6.675 7.283 -8.483 1.00 0.28 C ATOM 848 C THR A 15 -7.234 7.936 -7.218 1.00 0.30 C ATOM 849 O THR A 15 -8.433 8.188 -7.102 1.00 0.33 O ATOM 850 CB THR A 15 -6.866 5.751 -8.447 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.239 5.165 -9.597 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.337 5.361 -8.434 1.00 0.26 C ATOM 0 H THR A 15 -4.637 6.820 -8.578 1.00 0.25 H new ATOM 0 HA THR A 15 -7.224 7.664 -9.345 1.00 0.28 H new ATOM 0 HB THR A 15 -6.409 5.383 -7.528 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.358 4.193 -9.574 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.425 4.275 -8.409 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.818 5.785 -7.552 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.823 5.744 -9.332 1.00 0.26 H new ATOM 860 N PHE A 16 -6.333 8.184 -6.275 1.00 0.31 N ATOM 861 CA PHE A 16 -6.632 8.904 -5.042 1.00 0.37 C ATOM 862 C PHE A 16 -7.451 10.165 -5.316 1.00 0.42 C ATOM 863 O PHE A 16 -8.649 10.209 -5.035 1.00 0.54 O ATOM 864 CB PHE A 16 -5.306 9.281 -4.388 1.00 0.45 C ATOM 865 CG PHE A 16 -5.388 9.761 -2.980 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.150 9.086 -2.046 1.00 1.24 C ATOM 867 CD2 PHE A 16 -4.668 10.872 -2.585 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.195 9.516 -0.740 1.00 1.39 C ATOM 869 CE2 PHE A 16 -4.712 11.308 -1.281 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.479 10.627 -0.359 1.00 0.99 C ATOM 0 H PHE A 16 -5.360 7.887 -6.346 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.225 8.267 -4.386 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.649 8.412 -4.417 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.834 10.058 -4.989 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.714 8.215 -2.343 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -4.065 11.403 -3.307 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.792 8.982 -0.015 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -4.149 12.179 -0.981 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.518 10.967 0.665 1.00 0.99 H new ATOM 880 N HIS A 17 -6.809 11.170 -5.920 1.00 0.44 N ATOM 881 CA HIS A 17 -7.463 12.451 -6.193 1.00 0.54 C ATOM 882 C HIS A 17 -8.544 12.303 -7.262 1.00 0.47 C ATOM 883 O HIS A 17 -9.365 13.198 -7.460 1.00 0.52 O ATOM 884 CB HIS A 17 -6.439 13.525 -6.613 1.00 0.72 C ATOM 885 CG HIS A 17 -5.694 13.238 -7.890 1.00 1.09 C ATOM 886 ND1 HIS A 17 -6.257 13.380 -9.142 1.00 2.16 N ATOM 887 CD2 HIS A 17 -4.416 12.834 -8.104 1.00 1.23 C ATOM 888 CE1 HIS A 17 -5.363 13.076 -10.063 1.00 2.80 C ATOM 889 NE2 HIS A 17 -4.234 12.742 -9.464 1.00 2.27 N ATOM 0 H HIS A 17 -5.838 11.120 -6.228 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.938 12.776 -5.267 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -6.959 14.477 -6.721 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -5.714 13.647 -5.808 1.00 0.72 H new ATOM 0 HD2 HIS A 17 -3.677 12.623 -7.345 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -5.527 13.097 -11.130 1.00 2.80 H new ATOM 0 HE2 HIS A 17 -3.372 12.463 -9.932 1.00 2.27 H new ATOM 898 N LYS A 18 -8.535 11.160 -7.931 1.00 0.43 N ATOM 899 CA LYS A 18 -9.490 10.865 -8.991 1.00 0.46 C ATOM 900 C LYS A 18 -10.911 10.735 -8.431 1.00 0.44 C ATOM 901 O LYS A 18 -11.883 11.034 -9.121 1.00 0.62 O ATOM 902 CB LYS A 18 -9.063 9.574 -9.701 1.00 0.55 C ATOM 903 CG LYS A 18 -9.996 9.098 -10.803 1.00 0.77 C ATOM 904 CD LYS A 18 -9.525 7.763 -11.363 1.00 0.73 C ATOM 905 CE LYS A 18 -10.489 7.202 -12.394 1.00 1.41 C ATOM 906 NZ LYS A 18 -10.074 5.850 -12.862 1.00 1.69 N ATOM 0 H LYS A 18 -7.866 10.410 -7.755 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.498 11.687 -9.707 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -8.071 9.725 -10.127 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.973 8.783 -8.957 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -11.008 8.998 -10.412 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -10.034 9.840 -11.600 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.542 7.888 -11.817 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.411 7.049 -10.548 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.489 7.147 -11.964 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.545 7.880 -13.246 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.708 5.537 -13.625 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -9.098 5.890 -13.218 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -10.127 5.177 -12.071 1.00 1.69 H new ATOM 920 N TYR A 19 -11.033 10.298 -7.178 1.00 0.37 N ATOM 921 CA TYR A 19 -12.351 10.109 -6.578 1.00 0.41 C ATOM 922 C TYR A 19 -12.537 10.912 -5.293 1.00 0.48 C ATOM 923 O TYR A 19 -13.666 11.174 -4.897 1.00 0.73 O ATOM 924 CB TYR A 19 -12.620 8.626 -6.318 1.00 0.43 C ATOM 925 CG TYR A 19 -12.795 7.834 -7.591 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.994 7.871 -8.291 1.00 1.14 C ATOM 927 CD2 TYR A 19 -11.754 7.077 -8.111 1.00 1.18 C ATOM 928 CE1 TYR A 19 -14.155 7.172 -9.469 1.00 1.14 C ATOM 929 CE2 TYR A 19 -11.903 6.383 -9.293 1.00 1.21 C ATOM 930 CZ TYR A 19 -13.103 6.432 -9.969 1.00 0.48 C ATOM 931 OH TYR A 19 -13.242 5.758 -11.159 1.00 0.59 O ATOM 0 H TYR A 19 -10.248 10.072 -6.568 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.077 10.486 -7.299 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.794 8.206 -5.744 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.516 8.525 -5.706 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.815 8.458 -7.906 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -10.814 7.031 -7.582 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -15.097 7.204 -9.996 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -11.082 5.803 -9.688 1.00 1.21 H new ATOM 0 HH TYR A 19 -13.599 6.366 -11.840 1.00 0.59 H new ATOM 941 N SER A 20 -11.447 11.300 -4.645 1.00 0.38 N ATOM 942 CA SER A 20 -11.543 12.075 -3.411 1.00 0.45 C ATOM 943 C SER A 20 -11.835 13.543 -3.713 1.00 0.54 C ATOM 944 O SER A 20 -12.562 14.210 -2.977 1.00 0.68 O ATOM 945 CB SER A 20 -10.246 11.948 -2.621 1.00 0.47 C ATOM 946 OG SER A 20 -9.151 12.338 -3.426 1.00 0.52 O ATOM 0 H SER A 20 -10.495 11.095 -4.947 1.00 0.38 H new ATOM 0 HA SER A 20 -12.367 11.681 -2.816 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.292 12.571 -1.728 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.114 10.919 -2.286 1.00 0.47 H new ATOM 0 HG SER A 20 -8.834 11.568 -3.943 1.00 0.52 H new ATOM 952 N GLY A 21 -11.277 14.038 -4.817 1.00 0.54 N ATOM 953 CA GLY A 21 -11.515 15.411 -5.225 1.00 0.65 C ATOM 954 C GLY A 21 -12.843 15.564 -5.938 1.00 0.68 C ATOM 955 O GLY A 21 -12.974 16.339 -6.886 1.00 0.82 O ATOM 0 H GLY A 21 -10.663 13.510 -5.437 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.496 16.059 -4.349 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.710 15.740 -5.882 1.00 0.65 H new ATOM 1057 N LYS A 28 -8.319 12.921 1.056 1.00 0.67 N ATOM 1058 CA LYS A 28 -9.094 12.071 1.930 1.00 0.64 C ATOM 1059 C LYS A 28 -10.468 11.768 1.345 1.00 0.48 C ATOM 1060 O LYS A 28 -11.194 12.655 0.894 1.00 0.54 O ATOM 1061 CB LYS A 28 -9.184 12.680 3.333 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.047 13.921 3.446 1.00 1.00 C ATOM 1063 CD LYS A 28 -11.395 13.565 4.028 1.00 1.04 C ATOM 1064 CE LYS A 28 -11.829 14.569 5.081 1.00 1.55 C ATOM 1065 NZ LYS A 28 -12.292 15.846 4.482 1.00 2.03 N ATOM 0 HA LYS A 28 -8.579 11.115 2.019 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -9.573 11.924 4.015 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -8.177 12.926 3.670 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -9.554 14.660 4.077 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -10.175 14.375 2.463 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -12.138 13.528 3.231 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -11.350 12.569 4.469 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -12.631 14.139 5.681 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -10.997 14.767 5.756 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -12.578 16.500 5.238 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -11.520 16.271 3.930 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -13.103 15.663 3.858 1.00 2.03 H new ATOM 1079 N LEU A 29 -10.806 10.496 1.365 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.035 9.998 0.755 1.00 0.32 C ATOM 1081 C LEU A 29 -13.073 9.649 1.811 1.00 0.34 C ATOM 1082 O LEU A 29 -12.803 8.867 2.724 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.766 8.745 -0.098 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.927 8.945 -1.366 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.446 9.026 -1.034 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.188 7.823 -2.361 1.00 0.33 C ATOM 0 H LEU A 29 -10.239 9.771 1.804 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.416 10.798 0.120 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.265 8.007 0.529 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.726 8.318 -0.388 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.224 9.890 -1.821 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.875 9.168 -1.951 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.269 9.866 -0.363 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.131 8.102 -0.549 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.584 7.981 -3.255 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.923 6.867 -1.909 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.244 7.816 -2.633 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.260 10.227 1.692 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.377 9.820 2.534 1.00 0.35 C ATOM 1100 C ASN A 30 -16.072 8.626 1.881 1.00 0.31 C ATOM 1101 O ASN A 30 -15.580 8.101 0.876 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.365 10.979 2.763 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.294 11.230 1.588 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.381 10.660 1.513 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -16.883 12.096 0.677 1.00 0.63 N ATOM 0 H ASN A 30 -14.474 10.971 1.028 1.00 0.35 H new ATOM 0 HA ASN A 30 -14.999 9.533 3.515 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -16.963 10.765 3.649 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -15.802 11.889 2.971 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.475 12.312 -0.125 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -15.974 12.548 0.776 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.201 8.199 2.440 1.00 0.32 N ATOM 1113 CA LYS A 31 -17.914 7.015 1.952 1.00 0.31 C ATOM 1114 C LYS A 31 -18.146 7.058 0.439 1.00 0.30 C ATOM 1115 O LYS A 31 -17.842 6.095 -0.269 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.268 6.871 2.648 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.200 6.880 4.163 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.553 6.541 4.769 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.603 6.868 6.250 1.00 1.22 C ATOM 1120 NZ LYS A 31 -20.604 8.335 6.491 1.00 1.70 N ATOM 0 H LYS A 31 -17.646 8.656 3.236 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.279 6.160 2.183 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -19.918 7.682 2.321 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.732 5.940 2.323 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.455 6.160 4.502 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.877 7.861 4.511 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.334 7.094 4.248 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -20.762 5.481 4.623 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -21.497 6.427 6.690 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -19.746 6.418 6.751 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -20.907 8.526 7.467 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -19.645 8.711 6.346 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -21.260 8.795 5.828 1.00 1.70 H new ATOM 1134 N SER A 32 -18.670 8.176 -0.055 1.00 0.32 N ATOM 1135 CA SER A 32 -19.063 8.283 -1.454 1.00 0.34 C ATOM 1136 C SER A 32 -17.863 8.186 -2.391 1.00 0.31 C ATOM 1137 O SER A 32 -17.981 7.692 -3.516 1.00 0.34 O ATOM 1138 CB SER A 32 -19.817 9.593 -1.692 1.00 0.43 C ATOM 1139 OG SER A 32 -19.061 10.715 -1.256 1.00 1.29 O ATOM 0 H SER A 32 -18.832 9.020 0.494 1.00 0.32 H new ATOM 0 HA SER A 32 -19.721 7.443 -1.676 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.044 9.696 -2.753 1.00 0.43 H new ATOM 0 HB3 SER A 32 -20.770 9.567 -1.163 1.00 0.43 H new ATOM 0 HG SER A 32 -18.479 11.020 -1.983 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.707 8.628 -1.919 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.515 8.671 -2.752 1.00 0.31 C ATOM 1147 C GLU A 33 -14.930 7.277 -2.858 1.00 0.26 C ATOM 1148 O GLU A 33 -14.602 6.801 -3.946 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.467 9.615 -2.152 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.032 10.891 -1.541 1.00 0.51 C ATOM 1151 CD GLU A 33 -15.818 11.742 -2.518 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -16.992 11.405 -2.795 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.280 12.765 -2.982 1.00 1.46 O ATOM 0 H GLU A 33 -16.569 8.961 -0.965 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.792 9.039 -3.740 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -13.911 9.077 -1.385 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.755 9.886 -2.931 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.677 10.627 -0.703 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.211 11.483 -1.137 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.820 6.620 -1.710 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.283 5.272 -1.644 1.00 0.20 C ATOM 1162 C LEU A 34 -15.157 4.295 -2.407 1.00 0.20 C ATOM 1163 O LEU A 34 -14.649 3.427 -3.111 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.144 4.824 -0.193 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.827 5.214 0.468 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.881 4.930 1.955 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.682 4.459 -0.181 1.00 0.18 C ATOM 0 H LEU A 34 -15.099 7.005 -0.807 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.297 5.283 -2.109 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.965 5.248 0.385 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.250 3.740 -0.149 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.662 6.283 0.331 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -11.934 5.213 2.414 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.689 5.505 2.406 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.059 3.867 2.116 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.743 4.742 0.295 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.840 3.387 -0.063 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.639 4.705 -1.242 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.467 4.440 -2.278 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.378 3.544 -2.962 1.00 0.29 C ATOM 1181 C LYS A 35 -17.127 3.583 -4.460 1.00 0.25 C ATOM 1182 O LYS A 35 -16.900 2.548 -5.075 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.836 3.873 -2.639 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.794 2.750 -3.008 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.135 2.893 -2.308 1.00 0.71 C ATOM 1186 CE LYS A 35 -21.915 4.072 -2.842 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.204 4.255 -2.125 1.00 0.89 N ATOM 0 H LYS A 35 -16.916 5.161 -1.713 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.190 2.531 -2.605 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.927 4.086 -1.574 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.125 4.779 -3.171 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.947 2.744 -4.087 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.348 1.791 -2.744 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.716 1.980 -2.442 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.976 3.015 -1.237 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.315 4.977 -2.747 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.108 3.928 -3.905 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.595 5.193 -2.348 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.875 3.520 -2.425 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.045 4.181 -1.100 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.112 4.782 -5.035 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.825 4.928 -6.457 1.00 0.28 C ATOM 1203 C GLU A 36 -15.446 4.375 -6.799 1.00 0.28 C ATOM 1204 O GLU A 36 -15.287 3.682 -7.802 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.937 6.384 -6.897 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.244 6.679 -7.602 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.387 8.120 -8.037 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -17.891 8.463 -9.128 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -19.029 8.905 -7.307 1.00 1.49 O ATOM 0 H GLU A 36 -17.293 5.657 -4.544 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.571 4.349 -7.001 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.844 7.032 -6.025 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -16.107 6.624 -7.562 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.328 6.034 -8.477 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -19.070 6.425 -6.938 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.470 4.668 -5.948 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.114 4.149 -6.110 1.00 0.27 C ATOM 1218 C LEU A 37 -13.139 2.641 -6.335 1.00 0.23 C ATOM 1219 O LEU A 37 -12.679 2.141 -7.365 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.292 4.451 -4.858 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.797 4.173 -4.975 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.055 5.439 -5.372 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.257 3.610 -3.673 1.00 0.74 C ATOM 0 H LEU A 37 -14.593 5.267 -5.132 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.664 4.632 -6.977 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.430 5.500 -4.598 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.690 3.862 -4.032 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.639 3.427 -5.754 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -8.989 5.226 -5.452 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.427 5.793 -6.333 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.216 6.207 -4.616 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.189 3.418 -3.775 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.421 4.329 -2.870 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.772 2.679 -3.438 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.708 1.928 -5.372 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.742 0.477 -5.419 1.00 0.20 C ATOM 1237 C LEU A 38 -14.664 -0.034 -6.523 1.00 0.22 C ATOM 1238 O LEU A 38 -14.342 -1.002 -7.195 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.153 -0.101 -4.062 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.057 -0.084 -2.992 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.311 1.003 -1.963 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.951 -1.442 -2.319 1.00 0.21 C ATOM 0 H LEU A 38 -14.152 2.334 -4.549 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.733 0.136 -5.651 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -15.011 0.459 -3.690 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.482 -1.130 -4.207 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.110 0.136 -3.484 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.517 0.990 -1.217 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.329 1.974 -2.457 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.270 0.826 -1.476 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.168 -1.413 -1.562 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.902 -1.690 -1.848 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.707 -2.199 -3.064 1.00 0.21 H new ATOM 1254 N THR A 39 -15.795 0.621 -6.730 1.00 0.23 N ATOM 1255 CA THR A 39 -16.756 0.165 -7.741 1.00 0.26 C ATOM 1256 C THR A 39 -16.142 0.183 -9.139 1.00 0.27 C ATOM 1257 O THR A 39 -16.526 -0.596 -10.010 1.00 0.30 O ATOM 1258 CB THR A 39 -18.049 1.010 -7.764 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.738 2.395 -7.960 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.850 0.839 -6.483 1.00 0.30 C ATOM 0 H THR A 39 -16.075 1.460 -6.223 1.00 0.23 H new ATOM 0 HA THR A 39 -17.014 -0.855 -7.458 1.00 0.26 H new ATOM 0 HB THR A 39 -18.658 0.656 -8.596 1.00 0.29 H new ATOM 0 HG1 THR A 39 -16.766 2.518 -7.943 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.753 1.448 -6.534 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.125 -0.209 -6.363 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.247 1.155 -5.632 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.181 1.071 -9.339 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.588 1.266 -10.647 1.00 0.30 C ATOM 1270 C ARG A 40 -13.379 0.364 -10.865 1.00 0.29 C ATOM 1271 O ARG A 40 -13.365 -0.454 -11.788 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.192 2.729 -10.820 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.382 3.675 -10.886 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.270 3.368 -12.075 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.506 3.304 -13.320 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.052 3.227 -14.529 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -17.369 3.312 -14.677 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.274 3.096 -15.592 1.00 1.09 N ATOM 0 H ARG A 40 -14.796 1.669 -8.608 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.333 0.997 -11.395 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.549 3.024 -9.991 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.604 2.833 -11.732 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.963 3.596 -9.967 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.027 4.704 -10.951 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.780 2.419 -11.912 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.041 4.134 -12.160 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.488 3.319 -13.256 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.967 3.437 -13.860 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.783 3.252 -15.607 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.261 3.055 -15.481 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -15.688 3.036 -16.522 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.365 0.507 -10.021 1.00 0.29 N ATOM 1293 CA GLU A 41 -11.119 -0.221 -10.217 1.00 0.32 C ATOM 1294 C GLU A 41 -10.999 -1.458 -9.322 1.00 0.35 C ATOM 1295 O GLU A 41 -10.206 -2.350 -9.616 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.915 0.693 -9.994 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.354 1.315 -11.265 1.00 0.47 C ATOM 1298 CD GLU A 41 -10.143 2.516 -11.761 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -9.814 3.655 -11.359 1.00 1.54 O ATOM 1300 OE2 GLU A 41 -11.071 2.328 -12.576 1.00 1.60 O ATOM 0 H GLU A 41 -12.380 1.114 -9.202 1.00 0.29 H new ATOM 0 HA GLU A 41 -11.132 -0.568 -11.250 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.202 1.491 -9.309 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.126 0.122 -9.505 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -8.323 1.619 -11.085 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -9.331 0.558 -12.049 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.784 -1.534 -8.249 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.665 -2.657 -7.309 1.00 0.29 C ATOM 1309 C LEU A 42 -12.976 -3.456 -7.174 1.00 0.28 C ATOM 1310 O LEU A 42 -13.347 -3.827 -6.059 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.265 -2.159 -5.905 1.00 0.27 C ATOM 1312 CG LEU A 42 -10.021 -1.277 -5.808 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.350 0.179 -6.126 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.413 -1.402 -4.419 1.00 0.31 C ATOM 0 H LEU A 42 -12.498 -0.847 -8.008 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.894 -3.309 -7.720 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.106 -1.604 -5.490 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.113 -3.030 -5.268 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.295 -1.616 -6.547 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.445 0.782 -6.049 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.748 0.249 -7.138 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.093 0.547 -5.418 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.526 -0.772 -4.352 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.141 -1.084 -3.673 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.136 -2.440 -4.235 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.691 -3.781 -8.278 1.00 0.32 N ATOM 1327 CA PRO A 43 -15.009 -4.410 -8.180 1.00 0.34 C ATOM 1328 C PRO A 43 -14.912 -5.867 -7.756 1.00 0.35 C ATOM 1329 O PRO A 43 -15.832 -6.414 -7.146 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.587 -4.304 -9.598 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.607 -3.499 -10.388 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.289 -3.612 -9.677 1.00 0.36 C ATOM 0 HA PRO A 43 -15.630 -3.924 -7.427 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.723 -5.292 -10.038 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.565 -3.823 -9.585 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.530 -3.874 -11.409 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.924 -2.458 -10.454 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.707 -4.460 -10.036 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.676 -2.722 -9.817 1.00 0.36 H new ATOM 1340 N SER A 44 -13.781 -6.486 -8.065 1.00 0.37 N ATOM 1341 CA SER A 44 -13.528 -7.861 -7.675 1.00 0.41 C ATOM 1342 C SER A 44 -13.373 -7.949 -6.160 1.00 0.37 C ATOM 1343 O SER A 44 -13.572 -9.003 -5.557 1.00 0.42 O ATOM 1344 CB SER A 44 -12.278 -8.373 -8.393 1.00 0.48 C ATOM 1345 OG SER A 44 -11.253 -7.392 -8.374 1.00 1.09 O ATOM 0 H SER A 44 -13.021 -6.052 -8.588 1.00 0.37 H new ATOM 0 HA SER A 44 -14.371 -8.489 -7.964 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.924 -9.285 -7.913 1.00 0.48 H new ATOM 0 HB3 SER A 44 -12.524 -8.630 -9.423 1.00 0.48 H new ATOM 0 HG SER A 44 -10.461 -7.738 -8.836 1.00 1.09 H new ATOM 1351 N PHE A 45 -13.067 -6.807 -5.556 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.903 -6.705 -4.116 1.00 0.34 C ATOM 1353 C PHE A 45 -14.194 -6.220 -3.464 1.00 0.36 C ATOM 1354 O PHE A 45 -14.192 -5.788 -2.314 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.757 -5.746 -3.782 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.452 -6.125 -4.420 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.724 -7.205 -3.949 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.956 -5.404 -5.494 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.524 -7.555 -4.537 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.757 -5.749 -6.086 1.00 1.36 C ATOM 1361 CZ PHE A 45 -8.039 -6.828 -5.606 1.00 0.46 C ATOM 0 H PHE A 45 -12.926 -5.927 -6.053 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.665 -7.694 -3.725 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -12.030 -4.741 -4.103 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.627 -5.711 -2.700 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -10.098 -7.779 -3.114 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.514 -4.561 -5.873 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.964 -8.398 -4.160 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.381 -5.177 -6.922 1.00 1.36 H new ATOM 0 HZ PHE A 45 -7.101 -7.102 -6.066 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.289 -6.240 -4.214 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.567 -5.785 -3.682 1.00 0.40 C ATOM 1373 C LEU A 46 -17.626 -6.874 -3.690 1.00 0.55 C ATOM 1374 O LEU A 46 -18.608 -6.787 -2.950 1.00 0.70 O ATOM 1375 CB LEU A 46 -17.075 -4.583 -4.468 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.185 -3.353 -4.387 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.826 -2.196 -5.126 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.927 -2.992 -2.933 1.00 0.30 C ATOM 0 H LEU A 46 -15.319 -6.562 -5.181 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.387 -5.504 -2.644 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.183 -4.869 -5.514 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -18.069 -4.321 -4.105 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.228 -3.572 -4.861 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.180 -1.320 -5.061 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -16.967 -2.466 -6.172 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.792 -1.968 -4.676 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.289 -2.110 -2.885 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.874 -2.782 -2.437 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.433 -3.825 -2.433 1.00 0.30 H new ATOM 1390 N GLY A 47 -17.439 -7.887 -4.523 1.00 0.64 N ATOM 1391 CA GLY A 47 -18.421 -8.949 -4.617 1.00 0.82 C ATOM 1392 C GLY A 47 -19.705 -8.481 -5.274 1.00 0.87 C ATOM 1393 O GLY A 47 -20.792 -8.964 -4.942 1.00 1.23 O ATOM 0 H GLY A 47 -16.629 -7.993 -5.133 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -18.004 -9.779 -5.188 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.642 -9.328 -3.619 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.566 -7.517 -6.190 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.680 -6.967 -6.968 1.00 0.95 C ATOM 1399 C LYS A 48 -21.585 -6.067 -6.121 1.00 0.73 C ATOM 1400 O LYS A 48 -21.769 -4.893 -6.436 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.492 -8.093 -7.628 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.690 -7.615 -8.437 1.00 2.17 C ATOM 1403 CD LYS A 48 -22.299 -6.711 -9.603 1.00 2.32 C ATOM 1404 CE LYS A 48 -21.586 -7.464 -10.721 1.00 2.88 C ATOM 1405 NZ LYS A 48 -20.155 -7.734 -10.411 1.00 3.51 N ATOM 0 H LYS A 48 -18.666 -7.092 -6.414 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.250 -6.344 -7.752 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.833 -8.665 -8.281 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.842 -8.775 -6.853 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -23.231 -8.480 -8.821 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.374 -7.077 -7.780 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -23.194 -6.236 -10.004 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -21.652 -5.914 -9.238 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -22.099 -8.409 -10.902 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -21.651 -6.885 -11.642 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -19.576 -7.545 -11.254 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -19.846 -7.117 -9.633 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -20.042 -8.729 -10.130 1.00 3.51 H new ATOM 1419 N ARG A 49 -22.121 -6.604 -5.039 1.00 0.73 N ATOM 1420 CA ARG A 49 -23.109 -5.881 -4.239 1.00 0.70 C ATOM 1421 C ARG A 49 -22.456 -5.089 -3.110 1.00 0.61 C ATOM 1422 O ARG A 49 -22.403 -5.527 -1.959 1.00 0.75 O ATOM 1423 CB ARG A 49 -24.166 -6.841 -3.689 1.00 0.97 C ATOM 1424 CG ARG A 49 -23.601 -7.977 -2.850 1.00 1.10 C ATOM 1425 CD ARG A 49 -24.696 -8.925 -2.411 1.00 1.54 C ATOM 1426 NE ARG A 49 -25.331 -9.571 -3.556 1.00 2.02 N ATOM 1427 CZ ARG A 49 -26.619 -9.450 -3.871 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -27.422 -8.698 -3.125 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -27.099 -10.066 -4.940 1.00 3.24 N ATOM 0 H ARG A 49 -21.893 -7.535 -4.690 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.600 -5.164 -4.896 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -24.875 -6.275 -3.084 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -24.726 -7.264 -4.523 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -22.853 -8.522 -3.426 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -23.095 -7.570 -1.975 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -24.279 -9.683 -1.748 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -25.445 -8.378 -1.838 1.00 1.54 H new ATOM 0 HE ARG A 49 -24.748 -10.155 -4.156 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -27.052 -8.211 -2.308 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -28.408 -8.607 -3.369 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -26.482 -10.633 -5.522 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -28.086 -9.974 -5.182 1.00 3.24 H new ATOM 1443 N THR A 50 -21.928 -3.933 -3.450 1.00 0.55 N ATOM 1444 CA THR A 50 -21.335 -3.070 -2.457 1.00 0.50 C ATOM 1445 C THR A 50 -22.120 -1.795 -2.261 1.00 0.50 C ATOM 1446 O THR A 50 -22.076 -0.875 -3.080 1.00 0.56 O ATOM 1447 CB THR A 50 -19.891 -2.747 -2.791 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.649 -3.045 -4.170 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.975 -3.557 -1.892 1.00 0.51 C ATOM 0 H THR A 50 -21.898 -3.572 -4.403 1.00 0.55 H new ATOM 0 HA THR A 50 -21.361 -3.624 -1.518 1.00 0.50 H new ATOM 0 HB THR A 50 -19.692 -1.688 -2.624 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.989 -2.314 -4.727 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.936 -3.327 -2.129 1.00 0.51 H new ATOM 0 HG22 THR A 50 -19.173 -3.306 -0.850 1.00 0.51 H new ATOM 0 HG23 THR A 50 -19.157 -4.620 -2.050 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.858 -1.772 -1.181 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.570 -0.585 -0.759 1.00 0.51 C ATOM 1459 C ASP A 51 -22.950 -0.063 0.522 1.00 0.44 C ATOM 1460 O ASP A 51 -21.817 -0.415 0.859 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.055 -0.883 -0.540 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.781 -1.219 -1.824 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.130 -0.284 -2.574 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -26.014 -2.417 -2.086 1.00 1.94 O ATOM 0 H ASP A 51 -22.985 -2.576 -0.566 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.492 0.169 -1.542 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.155 -1.715 0.157 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.530 -0.019 -0.075 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.701 0.748 1.247 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.231 1.312 2.503 1.00 0.46 C ATOM 1471 C GLU A 52 -23.002 0.207 3.538 1.00 0.46 C ATOM 1472 O GLU A 52 -22.257 0.392 4.499 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.249 2.325 3.027 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.652 3.373 1.998 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.500 4.259 1.566 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -23.163 5.206 2.304 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.942 4.023 0.474 1.00 1.44 O ATOM 0 H GLU A 52 -24.645 1.033 0.986 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.281 1.817 2.327 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.140 1.793 3.359 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.833 2.827 3.901 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.066 2.873 1.122 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.445 3.995 2.414 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.640 -0.944 3.323 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.512 -2.084 4.222 1.00 0.58 C ATOM 1486 C ALA A 53 -22.079 -2.608 4.264 1.00 0.57 C ATOM 1487 O ALA A 53 -21.404 -2.493 5.286 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.465 -3.197 3.813 1.00 0.65 C ATOM 0 H ALA A 53 -24.255 -1.109 2.526 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.774 -1.742 5.223 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.355 -4.039 4.496 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.491 -2.830 3.852 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.233 -3.520 2.798 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.607 -3.168 3.151 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.257 -3.724 3.098 1.00 0.50 C ATOM 1496 C ALA A 54 -19.223 -2.620 3.276 1.00 0.45 C ATOM 1497 O ALA A 54 -18.163 -2.827 3.862 1.00 0.52 O ATOM 1498 CB ALA A 54 -20.012 -4.476 1.790 1.00 0.49 C ATOM 0 H ALA A 54 -22.134 -3.248 2.282 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.158 -4.438 3.916 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.998 -4.876 1.785 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.726 -5.295 1.702 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.137 -3.794 0.949 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.535 -1.434 2.787 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.598 -0.326 2.864 1.00 0.32 C ATOM 1506 C PHE A 55 -18.417 0.173 4.290 1.00 0.34 C ATOM 1507 O PHE A 55 -17.429 0.836 4.586 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.017 0.809 1.937 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.381 0.695 0.586 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -17.123 1.222 0.363 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -19.026 0.043 -0.450 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -16.519 1.104 -0.871 1.00 1.21 C ATOM 1513 CE2 PHE A 55 -18.425 -0.079 -1.685 1.00 1.20 C ATOM 1514 CZ PHE A 55 -17.171 0.450 -1.897 1.00 0.31 C ATOM 0 H PHE A 55 -20.422 -1.213 2.335 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.630 -0.701 2.530 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.102 0.806 1.828 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.744 1.764 2.387 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -16.608 1.732 1.164 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -20.009 -0.374 -0.290 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -15.537 1.523 -1.035 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -18.938 -0.590 -2.487 1.00 1.20 H new ATOM 0 HZ PHE A 55 -16.699 0.353 -2.864 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.348 -0.168 5.174 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.254 0.245 6.567 1.00 0.40 C ATOM 1526 C GLN A 56 -18.013 -0.350 7.236 1.00 0.37 C ATOM 1527 O GLN A 56 -17.290 0.350 7.943 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.506 -0.162 7.344 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.513 0.354 8.773 1.00 0.58 C ATOM 1530 CD GLN A 56 -21.703 -0.123 9.579 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.827 -0.346 8.916 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -21.616 -0.282 10.797 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.172 -0.726 4.951 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.170 1.332 6.580 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.387 0.213 6.824 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.582 -1.249 7.356 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -19.596 0.037 9.270 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.507 1.444 8.758 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -20.733 -0.100 11.273 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -22.427 -0.596 11.330 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.751 -1.634 6.995 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.608 -2.292 7.615 1.00 0.35 C ATOM 1543 C LYS A 57 -15.322 -1.788 6.998 1.00 0.29 C ATOM 1544 O LYS A 57 -14.345 -1.542 7.698 1.00 0.34 O ATOM 1545 CB LYS A 57 -16.680 -3.813 7.470 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.966 -4.566 8.770 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.794 -4.521 9.758 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.860 -3.310 10.679 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.934 -3.436 11.836 1.00 0.92 N ATOM 0 H LYS A 57 -18.308 -2.230 6.383 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.629 -2.052 8.678 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -17.456 -4.059 6.745 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -15.736 -4.170 7.059 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -17.850 -4.139 9.244 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.199 -5.605 8.538 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.792 -5.431 10.358 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.855 -4.503 9.204 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.613 -2.411 10.114 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.880 -3.187 11.043 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -15.196 -2.744 12.567 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.999 -4.396 12.230 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.959 -3.256 11.522 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.342 -1.633 5.683 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.198 -1.110 4.956 1.00 0.20 C ATOM 1565 C LEU A 58 -13.810 0.252 5.511 1.00 0.20 C ATOM 1566 O LEU A 58 -12.715 0.427 6.044 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.534 -1.000 3.468 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.470 -0.318 2.618 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.108 -0.935 2.881 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -13.837 -0.405 1.144 1.00 0.23 C ATOM 0 H LEU A 58 -16.143 -1.864 5.096 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.355 -1.791 5.077 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.705 -2.002 3.074 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.470 -0.451 3.362 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.421 0.736 2.893 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.358 -0.437 2.266 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -11.852 -0.816 3.934 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.135 -1.996 2.632 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.068 0.086 0.548 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -13.911 -1.452 0.849 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -14.795 0.088 0.978 1.00 0.23 H new ATOM 1582 N MET A 59 -14.728 1.194 5.351 1.00 0.21 N ATOM 1583 CA MET A 59 -14.633 2.525 5.936 1.00 0.26 C ATOM 1584 C MET A 59 -14.074 2.489 7.355 1.00 0.27 C ATOM 1585 O MET A 59 -13.095 3.156 7.656 1.00 0.33 O ATOM 1586 CB MET A 59 -16.024 3.160 5.968 1.00 0.36 C ATOM 1587 CG MET A 59 -15.990 4.664 5.892 1.00 0.34 C ATOM 1588 SD MET A 59 -15.385 5.221 4.296 1.00 0.72 S ATOM 1589 CE MET A 59 -14.605 6.744 4.780 1.00 0.32 C ATOM 0 H MET A 59 -15.575 1.053 4.801 1.00 0.21 H new ATOM 0 HA MET A 59 -13.951 3.110 5.320 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.612 2.774 5.136 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.533 2.860 6.884 1.00 0.36 H new ATOM 0 HG2 MET A 59 -16.990 5.062 6.064 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.351 5.056 6.683 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.849 7.016 4.043 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.354 7.533 4.840 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.133 6.617 5.754 1.00 0.32 H new ATOM 1599 N SER A 60 -14.708 1.697 8.213 1.00 0.28 N ATOM 1600 CA SER A 60 -14.339 1.611 9.624 1.00 0.35 C ATOM 1601 C SER A 60 -12.901 1.148 9.813 1.00 0.32 C ATOM 1602 O SER A 60 -12.124 1.785 10.521 1.00 0.36 O ATOM 1603 CB SER A 60 -15.253 0.623 10.326 1.00 0.41 C ATOM 1604 OG SER A 60 -15.076 0.660 11.734 1.00 0.64 O ATOM 0 H SER A 60 -15.491 1.097 7.952 1.00 0.28 H new ATOM 0 HA SER A 60 -14.439 2.611 10.047 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.291 0.850 10.083 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.052 -0.384 9.959 1.00 0.41 H new ATOM 0 HG SER A 60 -15.680 0.014 12.157 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.565 0.021 9.198 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.254 -0.588 9.373 1.00 0.31 C ATOM 1612 C ASN A 61 -10.181 0.327 8.814 1.00 0.31 C ATOM 1613 O ASN A 61 -9.075 0.414 9.346 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.206 -1.948 8.688 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.151 -2.963 9.300 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.493 -2.889 10.480 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.580 -3.924 8.502 1.00 0.57 N ATOM 0 H ASN A 61 -13.186 -0.491 8.571 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.071 -0.734 10.438 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.451 -1.824 7.633 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.188 -2.335 8.736 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.216 -4.637 8.859 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.275 -3.953 7.529 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.527 0.998 7.728 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.686 2.062 7.179 1.00 0.33 C ATOM 1626 C LEU A 62 -9.514 3.188 8.180 1.00 0.33 C ATOM 1627 O LEU A 62 -8.398 3.583 8.512 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.308 2.637 5.911 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.619 2.228 4.627 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.553 0.729 4.543 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.343 2.792 3.420 1.00 0.28 C ATOM 0 H LEU A 62 -11.386 0.828 7.204 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.714 1.623 6.951 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.352 2.327 5.862 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.301 3.725 5.980 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.607 2.633 4.631 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -9.056 0.438 3.617 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.992 0.341 5.393 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -10.563 0.319 4.557 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.828 2.484 2.510 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.367 2.418 3.402 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.355 3.880 3.479 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.644 3.697 8.634 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.705 4.822 9.548 1.00 0.43 C ATOM 1645 C ASP A 63 -10.113 4.458 10.910 1.00 0.38 C ATOM 1646 O ASP A 63 -10.819 4.004 11.814 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.166 5.256 9.675 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.385 6.361 10.669 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.683 7.383 10.599 1.00 1.56 O ATOM 1650 OD2 ASP A 63 -13.304 6.231 11.504 1.00 1.35 O ATOM 0 H ASP A 63 -11.561 3.334 8.373 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.110 5.648 9.159 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.525 5.582 8.699 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.768 4.394 9.965 1.00 0.56 H new ATOM 1655 N SER A 64 -8.808 4.639 11.038 1.00 0.37 N ATOM 1656 CA SER A 64 -8.098 4.267 12.246 1.00 0.41 C ATOM 1657 C SER A 64 -8.072 5.443 13.217 1.00 0.52 C ATOM 1658 O SER A 64 -7.984 5.257 14.433 1.00 0.64 O ATOM 1659 CB SER A 64 -6.673 3.805 11.903 1.00 0.45 C ATOM 1660 OG SER A 64 -5.820 4.898 11.621 1.00 0.58 O ATOM 0 H SER A 64 -8.217 5.045 10.312 1.00 0.37 H new ATOM 0 HA SER A 64 -8.617 3.437 12.725 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.266 3.232 12.736 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.705 3.137 11.042 1.00 0.45 H new ATOM 0 HG SER A 64 -6.331 5.606 11.176 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.162 6.655 12.674 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.204 7.861 13.493 1.00 0.83 C ATOM 1668 C ASN A 65 -9.624 8.120 13.992 1.00 0.89 C ATOM 1669 O ASN A 65 -9.848 8.987 14.837 1.00 1.10 O ATOM 1670 CB ASN A 65 -7.674 9.069 12.709 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.551 9.448 11.531 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.449 10.396 11.740 1.00 1.52 O flip ATOM 1673 ND2 ASN A 65 -8.407 8.910 10.438 1.00 1.44 N flip ATOM 0 H ASN A 65 -8.207 6.827 11.670 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.559 7.710 14.359 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -7.591 9.923 13.382 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -6.669 8.848 12.349 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -7.703 8.182 10.317 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.991 9.191 9.651 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.569 7.360 13.444 1.00 0.79 N ATOM 1681 CA ARG A 66 -11.962 7.354 13.900 1.00 0.98 C ATOM 1682 C ARG A 66 -12.660 8.687 13.618 1.00 1.05 C ATOM 1683 O ARG A 66 -13.042 9.420 14.535 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.057 6.987 15.389 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.308 5.709 15.755 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.708 4.535 14.868 1.00 1.25 C ATOM 1687 NE ARG A 66 -13.105 4.151 15.045 1.00 1.91 N ATOM 1688 CZ ARG A 66 -13.848 3.577 14.096 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -13.337 3.339 12.894 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -15.103 3.243 14.356 1.00 3.45 N ATOM 0 H ARG A 66 -10.391 6.726 12.665 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.484 6.587 13.328 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.663 7.811 15.983 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.107 6.873 15.660 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.235 5.880 15.667 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.506 5.459 16.797 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.536 4.798 13.824 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.069 3.681 15.091 1.00 1.25 H new ATOM 0 HE ARG A 66 -13.540 4.332 15.949 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -12.371 3.595 12.691 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -13.911 2.900 12.174 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -15.498 3.425 15.279 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -15.674 2.804 13.634 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.807 8.990 12.336 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.500 10.192 11.879 1.00 1.00 C ATOM 1706 C ASP A 67 -14.537 9.843 10.803 1.00 0.88 C ATOM 1707 O ASP A 67 -15.365 10.672 10.432 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.482 11.205 11.342 1.00 1.13 C ATOM 1709 CG ASP A 67 -13.119 12.440 10.739 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -13.704 13.248 11.490 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -13.017 12.619 9.509 1.00 2.08 O ATOM 0 H ASP A 67 -12.448 8.408 11.579 1.00 0.86 H new ATOM 0 HA ASP A 67 -14.028 10.637 12.722 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -11.819 11.507 12.153 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -11.862 10.720 10.588 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.492 8.595 10.328 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.385 8.101 9.265 1.00 0.74 C ATOM 1718 C ASN A 68 -15.049 8.722 7.914 1.00 0.65 C ATOM 1719 O ASN A 68 -15.834 8.649 6.971 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.866 8.339 9.599 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.345 7.510 10.770 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -17.631 6.319 10.638 1.00 1.54 O ATOM 1723 ND2 ASN A 68 -17.480 8.154 11.907 1.00 1.75 N ATOM 0 H ASN A 68 -13.835 7.893 10.668 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.220 7.025 9.202 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -17.018 9.395 9.821 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.473 8.107 8.724 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -17.835 7.667 12.730 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -17.230 9.141 11.967 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.868 9.310 7.820 1.00 0.64 N ATOM 1731 CA GLU A 69 -13.357 9.828 6.561 1.00 0.63 C ATOM 1732 C GLU A 69 -11.896 9.434 6.418 1.00 0.54 C ATOM 1733 O GLU A 69 -11.077 9.734 7.284 1.00 0.65 O ATOM 1734 CB GLU A 69 -13.520 11.348 6.462 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.964 11.797 6.298 1.00 0.95 C ATOM 1736 CD GLU A 69 -15.086 13.279 6.013 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -14.935 13.679 4.840 1.00 1.65 O ATOM 1738 OE2 GLU A 69 -15.341 14.052 6.960 1.00 1.59 O ATOM 0 H GLU A 69 -13.238 9.442 8.611 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.937 9.394 5.746 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -13.105 11.809 7.358 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.937 11.713 5.617 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -15.425 11.236 5.485 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -15.520 11.559 7.205 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.584 8.763 5.326 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.281 8.147 5.149 1.00 0.31 C ATOM 1747 C VAL A 70 -9.267 9.116 4.562 1.00 0.33 C ATOM 1748 O VAL A 70 -9.324 9.445 3.378 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.395 6.903 4.246 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.033 6.340 3.889 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.246 5.849 4.925 1.00 0.29 C ATOM 0 H VAL A 70 -12.221 8.629 4.541 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.927 7.851 6.137 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.874 7.206 3.315 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.157 5.464 3.252 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.454 7.096 3.358 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.507 6.054 4.800 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.322 4.973 4.281 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.787 5.565 5.872 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.242 6.250 5.111 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.351 9.575 5.405 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.219 10.368 4.945 1.00 0.40 C ATOM 1763 C ASP A 71 -6.279 9.459 4.159 1.00 0.32 C ATOM 1764 O ASP A 71 -6.447 8.238 4.180 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.488 11.002 6.136 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.444 12.024 5.715 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -5.797 13.216 5.583 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -4.269 11.640 5.525 1.00 1.22 O ATOM 0 H ASP A 71 -8.370 9.411 6.412 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.570 11.177 4.304 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.217 11.483 6.789 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.006 10.217 6.719 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.297 10.029 3.475 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.399 9.236 2.649 1.00 0.36 C ATOM 1775 C PHE A 72 -3.730 8.134 3.458 1.00 0.30 C ATOM 1776 O PHE A 72 -3.523 7.028 2.964 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.326 10.094 1.991 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.514 9.302 1.014 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.139 8.402 0.165 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.144 9.431 0.949 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.414 7.646 -0.722 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.415 8.684 0.055 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.044 7.792 -0.778 1.00 0.78 C ATOM 0 H PHE A 72 -5.103 11.030 3.475 1.00 0.36 H new ATOM 0 HA PHE A 72 -5.015 8.787 1.869 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.794 10.935 1.480 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.671 10.511 2.757 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.213 8.294 0.202 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.639 10.124 1.605 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.913 6.942 -1.371 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.658 8.799 0.007 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.466 7.205 -1.477 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.414 8.431 4.705 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.750 7.461 5.563 1.00 0.41 C ATOM 1795 C GLN A 73 -3.623 6.228 5.773 1.00 0.38 C ATOM 1796 O GLN A 73 -3.121 5.101 5.809 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.378 8.092 6.902 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.400 9.245 6.762 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.680 9.555 8.055 1.00 0.83 C ATOM 1800 OE1 GLN A 73 -1.116 10.388 8.847 1.00 1.20 O ATOM 1801 NE2 GLN A 73 0.432 8.873 8.281 1.00 1.48 N ATOM 0 H GLN A 73 -3.604 9.331 5.147 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.833 7.144 5.066 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.283 8.448 7.394 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -1.943 7.330 7.548 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -0.668 9.004 5.991 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.936 10.133 6.427 1.00 0.85 H new ATOM 0 HE21 GLN A 73 0.759 8.190 7.597 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.961 9.030 9.139 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.931 6.434 5.864 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.857 5.331 6.053 1.00 0.37 C ATOM 1812 C GLU A 74 -6.076 4.634 4.713 1.00 0.32 C ATOM 1813 O GLU A 74 -6.423 3.458 4.645 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.195 5.841 6.597 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.075 7.003 7.573 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.333 6.651 8.839 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -6.984 6.217 9.809 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.095 6.824 8.879 1.00 1.16 O ATOM 0 H GLU A 74 -5.371 7.353 5.810 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.438 4.629 6.774 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.820 6.149 5.759 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.709 5.018 7.093 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.564 7.830 7.080 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.074 7.354 7.832 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.847 5.386 3.646 1.00 0.26 N ATOM 1826 CA TYR A 75 -6.016 4.893 2.288 1.00 0.25 C ATOM 1827 C TYR A 75 -4.822 4.025 1.874 1.00 0.24 C ATOM 1828 O TYR A 75 -4.959 3.089 1.086 1.00 0.28 O ATOM 1829 CB TYR A 75 -6.185 6.084 1.341 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.433 5.708 -0.098 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.373 5.525 -0.976 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.724 5.539 -0.577 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.592 5.183 -2.295 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.949 5.196 -1.896 1.00 1.17 C ATOM 1835 CZ TYR A 75 -6.879 5.020 -2.749 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.098 4.680 -4.063 1.00 0.47 O ATOM 0 H TYR A 75 -5.538 6.357 3.698 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.907 4.267 2.237 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -7.016 6.696 1.692 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -5.289 6.703 1.392 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.361 5.652 -0.621 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.563 5.677 0.089 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -4.757 5.044 -2.966 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.958 5.066 -2.258 1.00 1.17 H new ATOM 0 HH TYR A 75 -6.871 5.439 -4.640 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.653 4.344 2.407 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.457 3.550 2.160 1.00 0.21 C ATOM 1848 C CYS A 76 -2.586 2.177 2.784 1.00 0.15 C ATOM 1849 O CYS A 76 -2.335 1.163 2.132 1.00 0.17 O ATOM 1850 CB CYS A 76 -1.232 4.271 2.705 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.924 5.859 1.918 1.00 1.65 S ATOM 0 H CYS A 76 -3.506 5.149 3.015 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.341 3.422 1.084 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -1.357 4.424 3.777 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.357 3.634 2.574 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.910 6.668 2.172 1.00 1.65 H new ATOM 1857 N VAL A 77 -2.995 2.142 4.036 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.183 0.882 4.720 1.00 0.17 C ATOM 1859 C VAL A 77 -4.389 0.151 4.154 1.00 0.17 C ATOM 1860 O VAL A 77 -4.464 -1.071 4.219 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.318 1.078 6.236 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.044 1.692 6.777 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.518 1.944 6.584 1.00 0.19 C ATOM 0 H VAL A 77 -3.202 2.968 4.597 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.296 0.271 4.552 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.479 0.104 6.698 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.137 1.833 7.854 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.204 1.030 6.568 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.873 2.656 6.299 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.581 2.061 7.666 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.407 2.924 6.119 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.428 1.470 6.217 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.321 0.911 3.583 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.416 0.349 2.821 1.00 0.22 C ATOM 1875 C PHE A 78 -5.865 -0.589 1.764 1.00 0.19 C ATOM 1876 O PHE A 78 -6.044 -1.798 1.847 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.224 1.488 2.179 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.161 1.091 1.072 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.123 0.111 1.250 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -8.074 1.724 -0.154 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -9.978 -0.228 0.221 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -8.924 1.391 -1.183 1.00 1.21 C ATOM 1883 CZ PHE A 78 -9.879 0.413 -0.998 1.00 0.22 C ATOM 0 H PHE A 78 -5.332 1.929 3.639 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.077 -0.219 3.475 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.804 1.980 2.960 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.525 2.227 1.788 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.205 -0.392 2.202 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.328 2.490 -0.306 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.724 -0.994 0.369 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -8.844 1.895 -2.135 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.547 0.149 -1.804 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.134 -0.025 0.818 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.644 -0.778 -0.322 1.00 0.19 C ATOM 1895 C LEU A 79 -3.612 -1.820 0.065 1.00 0.16 C ATOM 1896 O LEU A 79 -3.732 -2.979 -0.311 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.075 0.167 -1.372 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.137 0.947 -2.130 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.522 1.712 -3.287 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.209 -0.013 -2.613 1.00 0.16 C ATOM 0 H LEU A 79 -4.866 0.959 0.818 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.495 -1.316 -0.739 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.397 0.870 -0.887 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.482 -0.408 -2.083 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.592 1.680 -1.464 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.301 2.262 -3.814 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.778 2.412 -2.906 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.044 1.012 -3.973 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.974 0.540 -3.158 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.761 -0.757 -3.272 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.663 -0.512 -1.757 1.00 0.16 H new ATOM 1912 N SER A 80 -2.619 -1.429 0.830 1.00 0.15 N ATOM 1913 CA SER A 80 -1.536 -2.334 1.154 1.00 0.15 C ATOM 1914 C SER A 80 -2.048 -3.569 1.885 1.00 0.15 C ATOM 1915 O SER A 80 -1.483 -4.651 1.774 1.00 0.18 O ATOM 1916 CB SER A 80 -0.488 -1.608 1.972 1.00 0.17 C ATOM 1917 OG SER A 80 0.111 -0.579 1.209 1.00 0.23 O ATOM 0 H SER A 80 -2.537 -0.498 1.238 1.00 0.15 H new ATOM 0 HA SER A 80 -1.079 -2.677 0.226 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.945 -1.186 2.867 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.274 -2.312 2.305 1.00 0.17 H new ATOM 0 HG SER A 80 1.086 -0.633 1.295 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.131 -3.410 2.615 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.737 -4.532 3.296 1.00 0.15 C ATOM 1925 C CYS A 81 -4.608 -5.354 2.355 1.00 0.14 C ATOM 1926 O CYS A 81 -4.920 -6.508 2.646 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.513 -4.050 4.506 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.429 -3.482 5.832 1.00 0.22 S ATOM 0 H CYS A 81 -3.608 -2.519 2.751 1.00 0.14 H new ATOM 0 HA CYS A 81 -2.944 -5.194 3.643 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.177 -3.238 4.209 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.144 -4.858 4.876 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.464 -2.771 5.329 1.00 0.22 H new ATOM 1934 N ILE A 82 -4.982 -4.780 1.217 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.723 -5.539 0.226 1.00 0.14 C ATOM 1936 C ILE A 82 -4.753 -6.415 -0.556 1.00 0.17 C ATOM 1937 O ILE A 82 -5.157 -7.411 -1.133 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.547 -4.673 -0.760 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.242 -3.527 -0.040 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.605 -5.527 -1.445 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.065 -2.657 -0.963 1.00 0.18 C ATOM 0 H ILE A 82 -4.788 -3.811 0.964 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.449 -6.137 0.777 1.00 0.14 H new ATOM 0 HB ILE A 82 -5.855 -4.264 -1.496 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -7.888 -3.934 0.738 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.493 -2.911 0.458 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.179 -4.910 -2.136 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.121 -6.334 -1.995 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.273 -5.949 -0.695 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.534 -1.859 -0.388 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.419 -2.223 -1.726 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -8.836 -3.261 -1.441 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.468 -6.037 -0.589 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.430 -6.959 -1.042 1.00 0.23 C ATOM 1955 C ALA A 83 -2.543 -8.269 -0.285 1.00 0.20 C ATOM 1956 O ALA A 83 -2.808 -9.324 -0.862 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.052 -6.372 -0.811 1.00 0.30 C ATOM 0 H ALA A 83 -3.131 -5.115 -0.312 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.568 -7.131 -2.109 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.294 -7.076 -1.156 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -0.957 -5.437 -1.364 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -0.912 -6.180 0.253 1.00 0.30 H new ATOM 1963 N MET A 84 -2.358 -8.175 1.024 1.00 0.22 N ATOM 1964 CA MET A 84 -2.454 -9.333 1.908 1.00 0.25 C ATOM 1965 C MET A 84 -3.800 -10.031 1.759 1.00 0.24 C ATOM 1966 O MET A 84 -3.876 -11.257 1.724 1.00 0.28 O ATOM 1967 CB MET A 84 -2.263 -8.914 3.363 1.00 0.30 C ATOM 1968 CG MET A 84 -0.848 -8.489 3.698 1.00 0.34 C ATOM 1969 SD MET A 84 -0.703 -7.882 5.385 1.00 0.36 S ATOM 1970 CE MET A 84 -1.740 -6.427 5.292 1.00 0.20 C ATOM 0 H MET A 84 -2.139 -7.302 1.503 1.00 0.22 H new ATOM 0 HA MET A 84 -1.664 -10.028 1.623 1.00 0.25 H new ATOM 0 HB2 MET A 84 -2.942 -8.091 3.586 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.546 -9.744 4.010 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.174 -9.334 3.558 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.531 -7.710 3.005 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.744 -5.921 6.257 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.352 -5.752 4.530 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.757 -6.721 5.032 1.00 0.20 H new ATOM 1980 N MET A 85 -4.855 -9.237 1.656 1.00 0.25 N ATOM 1981 CA MET A 85 -6.208 -9.767 1.585 1.00 0.36 C ATOM 1982 C MET A 85 -6.477 -10.447 0.238 1.00 0.33 C ATOM 1983 O MET A 85 -7.064 -11.530 0.196 1.00 0.43 O ATOM 1984 CB MET A 85 -7.222 -8.646 1.850 1.00 0.62 C ATOM 1985 CG MET A 85 -8.661 -9.130 1.893 1.00 0.77 C ATOM 1986 SD MET A 85 -9.514 -8.901 0.326 1.00 0.67 S ATOM 1987 CE MET A 85 -10.093 -7.220 0.530 1.00 0.30 C ATOM 0 H MET A 85 -4.799 -8.219 1.620 1.00 0.25 H new ATOM 0 HA MET A 85 -6.318 -10.530 2.355 1.00 0.36 H new ATOM 0 HB2 MET A 85 -6.980 -8.164 2.798 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.125 -7.888 1.073 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.677 -10.187 2.160 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.197 -8.595 2.676 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.440 -6.836 -0.429 1.00 0.30 H new ATOM 0 HE2 MET A 85 -10.914 -7.202 1.247 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.278 -6.596 0.897 1.00 0.30 H new ATOM 1997 N CYS A 86 -6.037 -9.830 -0.857 1.00 0.32 N ATOM 1998 CA CYS A 86 -6.225 -10.408 -2.184 1.00 0.43 C ATOM 1999 C CYS A 86 -5.405 -11.683 -2.348 1.00 0.43 C ATOM 2000 O CYS A 86 -5.751 -12.550 -3.151 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.835 -9.396 -3.266 1.00 0.49 C ATOM 2002 SG CYS A 86 -6.004 -10.011 -4.959 1.00 0.57 S ATOM 0 H CYS A 86 -5.550 -8.934 -0.851 1.00 0.32 H new ATOM 0 HA CYS A 86 -7.280 -10.660 -2.293 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -6.452 -8.505 -3.153 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.801 -9.090 -3.105 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.993 -11.311 -4.952 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.330 -11.797 -1.571 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.406 -12.927 -1.672 1.00 0.44 C ATOM 2010 C ASN A 87 -4.125 -14.267 -1.568 1.00 0.47 C ATOM 2011 O ASN A 87 -3.791 -15.205 -2.289 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.333 -12.836 -0.586 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.334 -13.978 -0.652 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.512 -15.015 -0.014 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -0.273 -13.788 -1.419 1.00 1.23 N ATOM 0 H ASN A 87 -4.075 -11.114 -0.858 1.00 0.36 H new ATOM 0 HA ASN A 87 -2.940 -12.872 -2.656 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.803 -11.889 -0.683 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -2.812 -12.834 0.393 1.00 0.54 H new ATOM 0 HD21 ASN A 87 0.436 -14.517 -1.498 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -0.164 -12.913 -1.931 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.120 -14.351 -0.695 1.00 0.56 N ATOM 2023 CA GLU A 88 -5.841 -15.601 -0.482 1.00 0.70 C ATOM 2024 C GLU A 88 -6.496 -16.078 -1.785 1.00 0.73 C ATOM 2025 O GLU A 88 -6.359 -17.239 -2.178 1.00 0.82 O ATOM 2026 CB GLU A 88 -6.894 -15.432 0.620 1.00 0.96 C ATOM 2027 CG GLU A 88 -7.550 -16.743 1.032 1.00 1.81 C ATOM 2028 CD GLU A 88 -8.575 -16.577 2.137 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -9.665 -16.027 1.867 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -8.304 -17.011 3.277 1.00 2.78 O ATOM 0 H GLU A 88 -5.446 -13.571 -0.124 1.00 0.56 H new ATOM 0 HA GLU A 88 -5.126 -16.359 -0.163 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -6.426 -14.978 1.493 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -7.663 -14.741 0.275 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -8.032 -17.190 0.162 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -6.779 -17.439 1.362 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.653 -0.188 -17.941 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.171 -1.257 -17.116 1.00 0.30 C ATOM 2287 C ALA B 2 -5.191 -0.679 -16.153 1.00 0.27 C ATOM 2288 O ALA B 2 -5.363 0.537 -16.104 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.039 -1.936 -16.361 1.00 0.30 C ATOM 0 HA ALA B 2 -4.651 -2.009 -17.742 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.443 -2.739 -15.744 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.324 -2.350 -17.072 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.537 -1.207 -15.725 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.882 -1.535 -15.419 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.783 -1.077 -14.385 1.00 0.23 C ATOM 2297 C CYS B 3 -5.949 -0.656 -13.187 1.00 0.17 C ATOM 2298 O CYS B 3 -5.441 -1.500 -12.447 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.774 -2.177 -14.009 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.699 -2.830 -15.416 1.00 0.39 S ATOM 0 H CYS B 3 -5.834 -2.549 -15.523 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.367 -0.229 -14.742 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.233 -2.993 -13.530 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.477 -1.785 -13.273 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.513 -3.758 -15.007 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.785 0.660 -13.006 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.797 1.231 -12.081 1.00 0.13 C ATOM 2308 C PRO B 4 -4.900 0.683 -10.665 1.00 0.12 C ATOM 2309 O PRO B 4 -3.979 0.029 -10.173 1.00 0.12 O ATOM 2310 CB PRO B 4 -5.160 2.711 -12.084 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.760 2.946 -13.418 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.559 1.711 -13.695 1.00 0.20 C ATOM 0 HA PRO B 4 -3.778 0.999 -12.392 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.863 2.948 -11.286 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.280 3.335 -11.930 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.391 3.835 -13.418 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.992 3.100 -14.176 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.573 1.789 -13.303 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.644 1.516 -14.764 1.00 0.20 H new ATOM 2320 N LEU B 5 -6.035 0.919 -10.030 1.00 0.13 N ATOM 2321 CA LEU B 5 -6.211 0.545 -8.640 1.00 0.14 C ATOM 2322 C LEU B 5 -6.379 -0.967 -8.519 1.00 0.16 C ATOM 2323 O LEU B 5 -6.145 -1.539 -7.464 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.413 1.283 -8.043 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.194 1.925 -6.671 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.958 0.873 -5.620 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -6.030 2.892 -6.693 1.00 0.17 C ATOM 0 H LEU B 5 -6.847 1.367 -10.455 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.323 0.833 -8.078 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.719 2.062 -8.741 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.243 0.581 -7.965 1.00 0.15 H new ATOM 0 HG LEU B 5 -8.100 2.479 -6.425 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.805 1.353 -4.653 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.824 0.213 -5.565 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -6.074 0.291 -5.880 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.902 3.330 -5.703 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -5.121 2.361 -6.975 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.227 3.683 -7.417 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.762 -1.612 -9.614 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.864 -3.067 -9.638 1.00 0.20 C ATOM 2341 C GLU B 6 -5.479 -3.684 -9.531 1.00 0.18 C ATOM 2342 O GLU B 6 -5.214 -4.513 -8.657 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.528 -3.551 -10.926 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.558 -5.067 -11.058 1.00 0.43 C ATOM 2345 CD GLU B 6 -7.924 -5.526 -12.452 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -7.006 -5.688 -13.286 1.00 1.79 O ATOM 2347 OE2 GLU B 6 -9.125 -5.730 -12.720 1.00 1.39 O ATOM 0 H GLU B 6 -7.006 -1.155 -10.492 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.476 -3.375 -8.791 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.549 -3.170 -10.965 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -6.997 -3.130 -11.780 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.581 -5.470 -10.793 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.275 -5.475 -10.346 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.590 -3.259 -10.423 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.252 -3.808 -10.477 1.00 0.18 C ATOM 2356 C LYS B 7 -2.464 -3.473 -9.226 1.00 0.17 C ATOM 2357 O LYS B 7 -1.586 -4.225 -8.843 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.516 -3.341 -11.742 1.00 0.25 C ATOM 2359 CG LYS B 7 -2.832 -4.204 -12.953 1.00 0.41 C ATOM 2360 CD LYS B 7 -2.241 -5.596 -12.798 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.790 -6.567 -13.828 1.00 0.84 C ATOM 2362 NZ LYS B 7 -4.248 -6.814 -13.648 1.00 1.18 N ATOM 0 H LYS B 7 -4.778 -2.535 -11.116 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.341 -4.893 -10.524 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.788 -2.307 -11.956 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.441 -3.356 -11.560 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.912 -4.276 -13.081 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.435 -3.734 -13.853 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -1.157 -5.542 -12.893 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -2.455 -5.971 -11.797 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -2.611 -6.173 -14.828 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.252 -7.512 -13.757 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -4.521 -7.675 -14.164 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -4.457 -6.936 -12.637 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.786 -6.004 -14.018 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.801 -2.368 -8.579 1.00 0.17 N ATOM 2377 CA ALA B 8 -2.141 -1.981 -7.335 1.00 0.17 C ATOM 2378 C ALA B 8 -2.072 -3.147 -6.344 1.00 0.17 C ATOM 2379 O ALA B 8 -0.994 -3.478 -5.861 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.846 -0.790 -6.707 1.00 0.18 C ATOM 0 H ALA B 8 -3.526 -1.722 -8.891 1.00 0.17 H new ATOM 0 HA ALA B 8 -1.118 -1.696 -7.580 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.341 -0.515 -5.781 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.822 0.053 -7.398 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.882 -1.052 -6.491 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.210 -3.781 -6.061 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.229 -4.904 -5.118 1.00 0.12 C ATOM 2388 C LEU B 9 -2.772 -6.185 -5.806 1.00 0.14 C ATOM 2389 O LEU B 9 -2.129 -7.037 -5.192 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.620 -5.128 -4.490 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.284 -3.897 -3.862 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.271 -3.069 -3.110 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.988 -3.046 -4.900 1.00 0.13 C ATOM 0 H LEU B 9 -4.117 -3.543 -6.462 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.540 -4.647 -4.314 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.284 -5.521 -5.260 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.530 -5.898 -3.723 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.036 -4.258 -3.161 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.764 -2.201 -2.672 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.825 -3.671 -2.318 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.492 -2.737 -3.796 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.445 -2.184 -4.414 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.265 -2.704 -5.641 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.760 -3.637 -5.392 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.109 -6.307 -7.084 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.733 -7.474 -7.878 1.00 0.16 C ATOM 2407 C ASP B 10 -1.221 -7.656 -7.905 1.00 0.15 C ATOM 2408 O ASP B 10 -0.701 -8.718 -7.563 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.257 -7.328 -9.310 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.725 -8.398 -10.247 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -3.353 -9.472 -10.336 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.697 -8.160 -10.912 1.00 1.19 O ATOM 0 H ASP B 10 -3.646 -5.608 -7.597 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.179 -8.353 -7.414 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.346 -7.371 -9.299 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -2.981 -6.346 -9.694 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.524 -6.600 -8.284 1.00 0.15 N ATOM 2418 CA VAL B 11 0.915 -6.649 -8.456 1.00 0.16 C ATOM 2419 C VAL B 11 1.624 -6.747 -7.114 1.00 0.16 C ATOM 2420 O VAL B 11 2.759 -7.215 -7.038 1.00 0.20 O ATOM 2421 CB VAL B 11 1.421 -5.419 -9.226 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.623 -5.247 -10.511 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.351 -4.166 -8.363 1.00 0.17 C ATOM 0 H VAL B 11 -0.938 -5.689 -8.480 1.00 0.15 H new ATOM 0 HA VAL B 11 1.144 -7.543 -9.037 1.00 0.16 H new ATOM 0 HB VAL B 11 2.468 -5.576 -9.486 1.00 0.18 H new ATOM 0 HG11 VAL B 11 0.987 -4.373 -11.051 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.741 -6.134 -11.134 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.431 -5.111 -10.269 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.715 -3.311 -8.933 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.318 -3.989 -8.062 1.00 0.17 H new ATOM 0 HG23 VAL B 11 1.969 -4.300 -7.476 1.00 0.17 H new ATOM 2433 N MET B 12 0.943 -6.319 -6.060 1.00 0.16 N ATOM 2434 CA MET B 12 1.470 -6.425 -4.709 1.00 0.20 C ATOM 2435 C MET B 12 1.821 -7.861 -4.377 1.00 0.23 C ATOM 2436 O MET B 12 2.888 -8.129 -3.848 1.00 0.39 O ATOM 2437 CB MET B 12 0.460 -5.902 -3.706 1.00 0.27 C ATOM 2438 CG MET B 12 0.545 -4.408 -3.495 1.00 0.16 C ATOM 2439 SD MET B 12 -0.854 -3.772 -2.567 1.00 0.78 S ATOM 2440 CE MET B 12 -0.233 -2.170 -2.108 1.00 0.19 C ATOM 0 H MET B 12 0.018 -5.892 -6.117 1.00 0.16 H new ATOM 0 HA MET B 12 2.376 -5.822 -4.654 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.544 -6.157 -4.045 1.00 0.27 H new ATOM 0 HB3 MET B 12 0.612 -6.406 -2.751 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.468 -4.170 -2.966 1.00 0.16 H new ATOM 0 HG3 MET B 12 0.594 -3.909 -4.463 1.00 0.16 H new ATOM 0 HE1 MET B 12 -1.027 -1.595 -1.632 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.598 -2.287 -1.412 1.00 0.19 H new ATOM 0 HE3 MET B 12 0.111 -1.644 -2.999 1.00 0.19 H new ATOM 2450 N VAL B 13 0.911 -8.778 -4.685 1.00 0.18 N ATOM 2451 CA VAL B 13 1.155 -10.196 -4.456 1.00 0.19 C ATOM 2452 C VAL B 13 1.766 -10.873 -5.688 1.00 0.19 C ATOM 2453 O VAL B 13 2.364 -11.943 -5.583 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.127 -10.937 -4.027 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.566 -10.471 -2.652 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.243 -10.729 -5.037 1.00 0.22 C ATOM 0 H VAL B 13 0.000 -8.565 -5.093 1.00 0.18 H new ATOM 0 HA VAL B 13 1.874 -10.257 -3.639 1.00 0.19 H new ATOM 0 HB VAL B 13 0.095 -12.003 -3.985 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.472 -11.002 -2.360 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.223 -10.676 -1.929 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.765 -9.400 -2.677 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.135 -11.263 -4.709 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.466 -9.665 -5.119 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.930 -11.110 -6.009 1.00 0.22 H new ATOM 2466 N SER B 14 1.618 -10.245 -6.849 1.00 0.18 N ATOM 2467 CA SER B 14 2.153 -10.790 -8.092 1.00 0.21 C ATOM 2468 C SER B 14 3.667 -10.570 -8.177 1.00 0.23 C ATOM 2469 O SER B 14 4.441 -11.529 -8.237 1.00 0.26 O ATOM 2470 CB SER B 14 1.451 -10.144 -9.289 1.00 0.23 C ATOM 2471 OG SER B 14 1.873 -10.714 -10.515 1.00 1.12 O ATOM 0 H SER B 14 1.131 -9.355 -6.956 1.00 0.18 H new ATOM 0 HA SER B 14 1.967 -11.864 -8.109 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.372 -10.262 -9.185 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.655 -9.073 -9.296 1.00 0.23 H new ATOM 0 HG SER B 14 1.403 -10.279 -11.257 1.00 1.12 H new ATOM 2477 N THR B 15 4.082 -9.307 -8.155 1.00 0.24 N ATOM 2478 CA THR B 15 5.495 -8.951 -8.164 1.00 0.26 C ATOM 2479 C THR B 15 6.156 -9.420 -6.867 1.00 0.28 C ATOM 2480 O THR B 15 7.369 -9.619 -6.796 1.00 0.31 O ATOM 2481 CB THR B 15 5.666 -7.425 -8.333 1.00 0.27 C ATOM 2482 OG1 THR B 15 4.942 -6.988 -9.491 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.128 -7.036 -8.483 1.00 0.25 C ATOM 0 H THR B 15 3.451 -8.506 -8.131 1.00 0.24 H new ATOM 0 HA THR B 15 5.978 -9.445 -9.007 1.00 0.26 H new ATOM 0 HB THR B 15 5.276 -6.944 -7.436 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.574 -6.723 -10.191 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.207 -5.955 -8.600 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.680 -7.347 -7.596 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.547 -7.527 -9.361 1.00 0.25 H new ATOM 2491 N PHE B 16 5.319 -9.607 -5.854 1.00 0.30 N ATOM 2492 CA PHE B 16 5.721 -10.165 -4.570 1.00 0.36 C ATOM 2493 C PHE B 16 6.541 -11.438 -4.757 1.00 0.40 C ATOM 2494 O PHE B 16 7.758 -11.434 -4.571 1.00 0.51 O ATOM 2495 CB PHE B 16 4.453 -10.479 -3.782 1.00 0.44 C ATOM 2496 CG PHE B 16 4.642 -10.788 -2.334 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.456 -10.006 -1.542 1.00 1.27 C ATOM 2498 CD2 PHE B 16 3.963 -11.845 -1.758 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.595 -10.274 -0.198 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.102 -12.121 -0.417 1.00 1.38 C ATOM 2501 CZ PHE B 16 4.919 -11.332 0.364 1.00 0.97 C ATOM 0 H PHE B 16 4.328 -9.372 -5.903 1.00 0.30 H new ATOM 0 HA PHE B 16 6.344 -9.447 -4.037 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.777 -9.628 -3.866 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.957 -11.328 -4.253 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.990 -9.175 -1.980 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.317 -12.461 -2.366 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.234 -9.654 0.414 1.00 1.42 H new ATOM 0 HE2 PHE B 16 3.572 -12.953 0.022 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.028 -11.544 1.417 1.00 0.97 H new ATOM 2511 N HIS B 17 5.873 -12.507 -5.189 1.00 0.41 N ATOM 2512 CA HIS B 17 6.524 -13.807 -5.361 1.00 0.51 C ATOM 2513 C HIS B 17 7.529 -13.772 -6.509 1.00 0.45 C ATOM 2514 O HIS B 17 8.352 -14.671 -6.653 1.00 0.51 O ATOM 2515 CB HIS B 17 5.490 -14.929 -5.583 1.00 0.68 C ATOM 2516 CG HIS B 17 4.657 -14.798 -6.830 1.00 1.09 C ATOM 2517 ND1 HIS B 17 5.128 -15.089 -8.091 1.00 2.16 N ATOM 2518 CD2 HIS B 17 3.362 -14.431 -6.998 1.00 1.26 C ATOM 2519 CE1 HIS B 17 4.168 -14.904 -8.975 1.00 2.82 C ATOM 2520 NE2 HIS B 17 3.083 -14.507 -8.342 1.00 2.30 N ATOM 0 H HIS B 17 4.881 -12.499 -5.427 1.00 0.41 H new ATOM 0 HA HIS B 17 7.064 -14.024 -4.440 1.00 0.51 H new ATOM 0 HB2 HIS B 17 6.015 -15.884 -5.615 1.00 0.68 H new ATOM 0 HB3 HIS B 17 4.823 -14.961 -4.722 1.00 0.68 H new ATOM 0 HD2 HIS B 17 2.676 -14.134 -6.219 1.00 1.26 H new ATOM 0 HE1 HIS B 17 4.256 -15.053 -10.041 1.00 2.82 H new ATOM 0 HE2 HIS B 17 2.186 -14.292 -8.777 1.00 2.30 H new ATOM 2529 N LYS B 18 7.446 -12.723 -7.316 1.00 0.42 N ATOM 2530 CA LYS B 18 8.319 -12.546 -8.469 1.00 0.46 C ATOM 2531 C LYS B 18 9.778 -12.354 -8.035 1.00 0.45 C ATOM 2532 O LYS B 18 10.699 -12.750 -8.750 1.00 0.62 O ATOM 2533 CB LYS B 18 7.826 -11.343 -9.286 1.00 0.55 C ATOM 2534 CG LYS B 18 8.666 -10.991 -10.504 1.00 0.76 C ATOM 2535 CD LYS B 18 8.131 -9.735 -11.183 1.00 0.71 C ATOM 2536 CE LYS B 18 9.013 -9.289 -12.341 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.554 -7.999 -12.927 1.00 1.67 N ATOM 0 H LYS B 18 6.770 -11.969 -7.190 1.00 0.42 H new ATOM 0 HA LYS B 18 8.284 -13.443 -9.087 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.806 -11.543 -9.615 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.785 -10.473 -8.631 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.702 -10.835 -10.204 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.660 -11.822 -11.209 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.122 -9.923 -11.549 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.060 -8.930 -10.451 1.00 0.71 H new ATOM 0 HE2 LYS B 18 10.041 -9.184 -11.994 1.00 1.40 H new ATOM 0 HE3 LYS B 18 9.014 -10.058 -13.113 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 9.094 -7.799 -13.793 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.542 -8.063 -13.158 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.705 -7.233 -12.240 1.00 1.67 H new ATOM 2551 N TYR B 19 9.988 -11.754 -6.865 1.00 0.39 N ATOM 2552 CA TYR B 19 11.347 -11.493 -6.381 1.00 0.43 C ATOM 2553 C TYR B 19 11.630 -12.146 -5.034 1.00 0.50 C ATOM 2554 O TYR B 19 12.784 -12.362 -4.692 1.00 0.74 O ATOM 2555 CB TYR B 19 11.603 -9.987 -6.309 1.00 0.46 C ATOM 2556 CG TYR B 19 11.668 -9.348 -7.676 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.808 -9.462 -8.457 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.580 -8.660 -8.196 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.866 -8.902 -9.717 1.00 1.17 C ATOM 2560 CE2 TYR B 19 10.629 -8.106 -9.457 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.771 -8.228 -10.214 1.00 0.50 C ATOM 2562 OH TYR B 19 11.815 -7.689 -11.478 1.00 0.61 O ATOM 0 H TYR B 19 9.246 -11.442 -6.239 1.00 0.39 H new ATOM 0 HA TYR B 19 12.032 -11.944 -7.099 1.00 0.43 H new ATOM 0 HB2 TYR B 19 10.812 -9.514 -5.727 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.539 -9.805 -5.781 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.664 -9.997 -8.073 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.683 -8.557 -7.604 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.764 -8.991 -10.310 1.00 1.17 H new ATOM 0 HE2 TYR B 19 9.773 -7.577 -9.850 1.00 1.21 H new ATOM 0 HH TYR B 19 10.962 -7.249 -11.676 1.00 0.61 H new ATOM 2572 N SER B 20 10.593 -12.462 -4.273 1.00 0.41 N ATOM 2573 CA SER B 20 10.783 -13.089 -2.971 1.00 0.48 C ATOM 2574 C SER B 20 11.078 -14.579 -3.118 1.00 0.57 C ATOM 2575 O SER B 20 11.864 -15.147 -2.360 1.00 0.70 O ATOM 2576 CB SER B 20 9.542 -12.886 -2.117 1.00 0.49 C ATOM 2577 OG SER B 20 8.395 -13.348 -2.801 1.00 0.53 O ATOM 0 H SER B 20 9.620 -12.297 -4.530 1.00 0.41 H new ATOM 0 HA SER B 20 11.639 -12.620 -2.485 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.651 -13.420 -1.173 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.428 -11.829 -1.874 1.00 0.49 H new ATOM 0 HG SER B 20 8.052 -12.637 -3.382 1.00 0.53 H new ATOM 2583 N GLY B 21 10.451 -15.206 -4.110 1.00 0.57 N ATOM 2584 CA GLY B 21 10.683 -16.614 -4.370 1.00 0.68 C ATOM 2585 C GLY B 21 11.957 -16.831 -5.158 1.00 0.71 C ATOM 2586 O GLY B 21 12.029 -17.696 -6.030 1.00 0.86 O ATOM 0 H GLY B 21 9.784 -14.761 -4.740 1.00 0.57 H new ATOM 0 HA2 GLY B 21 10.742 -17.154 -3.425 1.00 0.68 H new ATOM 0 HA3 GLY B 21 9.838 -17.027 -4.921 1.00 0.68 H new ATOM 2688 N LYS B 28 7.908 -13.426 1.789 1.00 0.69 N ATOM 2689 CA LYS B 28 8.744 -12.474 2.502 1.00 0.68 C ATOM 2690 C LYS B 28 10.072 -12.233 1.790 1.00 0.50 C ATOM 2691 O LYS B 28 10.772 -13.166 1.394 1.00 0.54 O ATOM 2692 CB LYS B 28 8.938 -12.904 3.961 1.00 0.92 C ATOM 2693 CG LYS B 28 9.822 -14.113 4.182 1.00 0.93 C ATOM 2694 CD LYS B 28 11.179 -13.667 4.677 1.00 0.98 C ATOM 2695 CE LYS B 28 11.723 -14.590 5.754 1.00 1.51 C ATOM 2696 NZ LYS B 28 12.168 -15.907 5.229 1.00 1.98 N ATOM 0 HA LYS B 28 8.224 -11.516 2.509 1.00 0.68 H new ATOM 0 HB2 LYS B 28 9.359 -12.064 4.514 1.00 0.92 H new ATOM 0 HB3 LYS B 28 7.958 -13.111 4.392 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.362 -14.784 4.907 1.00 0.93 H new ATOM 0 HG3 LYS B 28 9.929 -14.672 3.253 1.00 0.93 H new ATOM 0 HD2 LYS B 28 11.877 -13.634 3.841 1.00 0.98 H new ATOM 0 HD3 LYS B 28 11.106 -12.653 5.071 1.00 0.98 H new ATOM 0 HE2 LYS B 28 12.562 -14.102 6.251 1.00 1.51 H new ATOM 0 HE3 LYS B 28 10.953 -14.749 6.509 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 11.817 -16.665 5.849 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 11.792 -16.043 4.269 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 13.207 -15.936 5.201 1.00 1.98 H new ATOM 2710 N LEU B 29 10.404 -10.960 1.640 1.00 0.38 N ATOM 2711 CA LEU B 29 11.570 -10.540 0.875 1.00 0.32 C ATOM 2712 C LEU B 29 12.681 -10.048 1.788 1.00 0.33 C ATOM 2713 O LEU B 29 12.481 -9.124 2.569 1.00 0.42 O ATOM 2714 CB LEU B 29 11.208 -9.400 -0.084 1.00 0.29 C ATOM 2715 CG LEU B 29 10.295 -9.758 -1.257 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.850 -9.826 -0.811 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.455 -8.750 -2.385 1.00 0.31 C ATOM 0 H LEU B 29 9.874 -10.188 2.045 1.00 0.38 H new ATOM 0 HA LEU B 29 11.912 -11.411 0.316 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.728 -8.609 0.492 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.133 -8.986 -0.486 1.00 0.29 H new ATOM 0 HG LEU B 29 10.586 -10.741 -1.627 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.218 -10.082 -1.662 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.743 -10.587 -0.038 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.546 -8.858 -0.412 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.798 -9.021 -3.211 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.193 -7.755 -2.024 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.489 -8.750 -2.729 1.00 0.31 H new ATOM 2729 N ASN B 30 13.852 -10.649 1.683 1.00 0.31 N ATOM 2730 CA ASN B 30 15.018 -10.134 2.385 1.00 0.31 C ATOM 2731 C ASN B 30 15.643 -9.019 1.550 1.00 0.27 C ATOM 2732 O ASN B 30 15.062 -8.599 0.546 1.00 0.26 O ATOM 2733 CB ASN B 30 16.038 -11.245 2.677 1.00 0.35 C ATOM 2734 CG ASN B 30 16.880 -11.621 1.477 1.00 0.58 C ATOM 2735 OD1 ASN B 30 17.956 -11.063 1.261 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.410 -12.571 0.698 1.00 0.60 N ATOM 0 H ASN B 30 14.023 -11.486 1.125 1.00 0.31 H new ATOM 0 HA ASN B 30 14.705 -9.735 3.350 1.00 0.31 H new ATOM 0 HB2 ASN B 30 16.695 -10.922 3.485 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.509 -12.130 3.031 1.00 0.35 H new ATOM 0 HD21 ASN B 30 16.942 -12.870 -0.119 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.514 -13.009 0.911 1.00 0.60 H new ATOM 2743 N LYS B 31 16.813 -8.539 1.964 1.00 0.27 N ATOM 2744 CA LYS B 31 17.459 -7.405 1.304 1.00 0.26 C ATOM 2745 C LYS B 31 17.574 -7.613 -0.210 1.00 0.25 C ATOM 2746 O LYS B 31 17.190 -6.744 -0.995 1.00 0.28 O ATOM 2747 CB LYS B 31 18.858 -7.165 1.872 1.00 0.29 C ATOM 2748 CG LYS B 31 18.903 -6.995 3.380 1.00 0.40 C ATOM 2749 CD LYS B 31 20.290 -6.570 3.838 1.00 0.49 C ATOM 2750 CE LYS B 31 20.457 -6.730 5.338 1.00 1.20 C ATOM 2751 NZ LYS B 31 20.515 -8.160 5.737 1.00 1.72 N ATOM 0 H LYS B 31 17.335 -8.918 2.755 1.00 0.27 H new ATOM 0 HA LYS B 31 16.828 -6.537 1.494 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.498 -8.002 1.594 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.278 -6.274 1.406 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.170 -6.249 3.688 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.627 -7.932 3.864 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.043 -7.166 3.322 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.462 -5.530 3.561 1.00 0.49 H new ATOM 0 HE2 LYS B 31 21.369 -6.226 5.658 1.00 1.20 H new ATOM 0 HE3 LYS B 31 19.627 -6.243 5.850 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 20.493 -8.232 6.774 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 19.699 -8.665 5.337 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 21.394 -8.585 5.379 1.00 1.72 H new ATOM 2765 N SER B 32 18.079 -8.776 -0.612 1.00 0.25 N ATOM 2766 CA SER B 32 18.372 -9.038 -2.017 1.00 0.27 C ATOM 2767 C SER B 32 17.106 -9.059 -2.865 1.00 0.24 C ATOM 2768 O SER B 32 17.131 -8.685 -4.043 1.00 0.27 O ATOM 2769 CB SER B 32 19.130 -10.361 -2.165 1.00 0.35 C ATOM 2770 OG SER B 32 18.434 -11.432 -1.543 1.00 1.27 O ATOM 0 H SER B 32 18.294 -9.551 0.015 1.00 0.25 H new ATOM 0 HA SER B 32 18.999 -8.223 -2.379 1.00 0.27 H new ATOM 0 HB2 SER B 32 19.272 -10.584 -3.222 1.00 0.35 H new ATOM 0 HB3 SER B 32 20.122 -10.265 -1.723 1.00 0.35 H new ATOM 0 HG SER B 32 17.599 -11.604 -2.026 1.00 1.27 H new ATOM 2776 N GLU B 33 16.000 -9.469 -2.260 1.00 0.25 N ATOM 2777 CA GLU B 33 14.747 -9.607 -2.983 1.00 0.27 C ATOM 2778 C GLU B 33 14.135 -8.234 -3.202 1.00 0.24 C ATOM 2779 O GLU B 33 13.718 -7.889 -4.310 1.00 0.26 O ATOM 2780 CB GLU B 33 13.759 -10.483 -2.207 1.00 0.34 C ATOM 2781 CG GLU B 33 14.387 -11.672 -1.496 1.00 0.47 C ATOM 2782 CD GLU B 33 15.117 -12.625 -2.423 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.269 -12.321 -2.803 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.555 -13.693 -2.740 1.00 1.43 O ATOM 0 H GLU B 33 15.946 -9.711 -1.271 1.00 0.25 H new ATOM 0 HA GLU B 33 14.954 -10.083 -3.942 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.248 -9.864 -1.469 1.00 0.34 H new ATOM 0 HB3 GLU B 33 12.999 -10.850 -2.897 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.085 -11.306 -0.744 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.607 -12.220 -0.967 1.00 0.47 H new ATOM 2791 N LEU B 34 14.101 -7.447 -2.131 1.00 0.21 N ATOM 2792 CA LEU B 34 13.550 -6.104 -2.185 1.00 0.21 C ATOM 2793 C LEU B 34 14.345 -5.216 -3.126 1.00 0.20 C ATOM 2794 O LEU B 34 13.767 -4.449 -3.890 1.00 0.24 O ATOM 2795 CB LEU B 34 13.508 -5.485 -0.792 1.00 0.21 C ATOM 2796 CG LEU B 34 12.245 -5.791 0.003 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.399 -5.340 1.444 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.050 -5.108 -0.644 1.00 0.21 C ATOM 0 H LEU B 34 14.451 -7.721 -1.213 1.00 0.21 H new ATOM 0 HA LEU B 34 12.533 -6.181 -2.570 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.371 -5.837 -0.227 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.608 -4.404 -0.887 1.00 0.21 H new ATOM 0 HG LEU B 34 12.080 -6.868 0.001 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.487 -5.567 1.996 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.239 -5.863 1.901 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.582 -4.266 1.471 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.150 -5.330 -0.071 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.212 -4.030 -0.661 1.00 0.21 H new ATOM 0 HD23 LEU B 34 10.930 -5.473 -1.664 1.00 0.21 H new ATOM 2810 N LYS B 35 15.665 -5.328 -3.078 1.00 0.21 N ATOM 2811 CA LYS B 35 16.511 -4.512 -3.929 1.00 0.26 C ATOM 2812 C LYS B 35 16.147 -4.727 -5.389 1.00 0.22 C ATOM 2813 O LYS B 35 15.860 -3.770 -6.100 1.00 0.24 O ATOM 2814 CB LYS B 35 17.994 -4.804 -3.692 1.00 0.37 C ATOM 2815 CG LYS B 35 18.907 -3.724 -4.258 1.00 0.54 C ATOM 2816 CD LYS B 35 20.298 -3.777 -3.647 1.00 0.68 C ATOM 2817 CE LYS B 35 21.054 -5.022 -4.075 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.394 -5.101 -3.437 1.00 0.95 N ATOM 0 H LYS B 35 16.167 -5.970 -2.464 1.00 0.21 H new ATOM 0 HA LYS B 35 16.339 -3.467 -3.673 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.174 -4.901 -2.621 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.248 -5.762 -4.146 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.981 -3.842 -5.339 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.467 -2.744 -4.074 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.859 -2.891 -3.943 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.219 -3.755 -2.560 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.474 -5.907 -3.813 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.167 -5.024 -5.159 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 22.879 -5.965 -3.754 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 22.957 -4.269 -3.707 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.285 -5.125 -2.403 1.00 0.95 H new ATOM 2832 N GLU B 36 16.106 -5.982 -5.821 1.00 0.22 N ATOM 2833 CA GLU B 36 15.725 -6.287 -7.192 1.00 0.24 C ATOM 2834 C GLU B 36 14.316 -5.793 -7.490 1.00 0.25 C ATOM 2835 O GLU B 36 14.069 -5.225 -8.552 1.00 0.32 O ATOM 2836 CB GLU B 36 15.830 -7.776 -7.481 1.00 0.28 C ATOM 2837 CG GLU B 36 17.095 -8.144 -8.234 1.00 0.65 C ATOM 2838 CD GLU B 36 17.210 -9.623 -8.527 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.621 -10.082 -9.529 1.00 1.30 O ATOM 2840 OE2 GLU B 36 17.921 -10.328 -7.783 1.00 1.48 O ATOM 0 H GLU B 36 16.329 -6.796 -5.248 1.00 0.22 H new ATOM 0 HA GLU B 36 16.423 -5.764 -7.845 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.800 -8.326 -6.541 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.963 -8.090 -8.062 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.124 -7.592 -9.173 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.961 -7.828 -7.652 1.00 0.65 H new ATOM 2847 N LEU B 37 13.407 -5.995 -6.542 1.00 0.23 N ATOM 2848 CA LEU B 37 12.034 -5.511 -6.664 1.00 0.26 C ATOM 2849 C LEU B 37 12.020 -4.039 -7.061 1.00 0.22 C ATOM 2850 O LEU B 37 11.478 -3.660 -8.104 1.00 0.22 O ATOM 2851 CB LEU B 37 11.312 -5.662 -5.325 1.00 0.32 C ATOM 2852 CG LEU B 37 9.804 -5.424 -5.358 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.064 -6.737 -5.545 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.349 -4.723 -4.086 1.00 0.74 C ATOM 0 H LEU B 37 13.598 -6.495 -5.673 1.00 0.23 H new ATOM 0 HA LEU B 37 11.531 -6.099 -7.432 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.495 -6.667 -4.945 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.756 -4.967 -4.613 1.00 0.32 H new ATOM 0 HG LEU B 37 9.572 -4.778 -6.205 1.00 0.41 H new ATOM 0 HD11 LEU B 37 7.990 -6.550 -5.566 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.371 -7.197 -6.484 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.299 -7.408 -4.719 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.272 -4.561 -4.125 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.591 -5.343 -3.223 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.858 -3.763 -3.998 1.00 0.74 H new ATOM 2866 N LEU B 38 12.649 -3.217 -6.229 1.00 0.19 N ATOM 2867 CA LEU B 38 12.670 -1.779 -6.435 1.00 0.19 C ATOM 2868 C LEU B 38 13.505 -1.391 -7.657 1.00 0.19 C ATOM 2869 O LEU B 38 13.116 -0.512 -8.409 1.00 0.21 O ATOM 2870 CB LEU B 38 13.176 -1.059 -5.183 1.00 0.19 C ATOM 2871 CG LEU B 38 12.162 -0.953 -4.039 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.515 -1.908 -2.912 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.091 0.479 -3.531 1.00 0.20 C ATOM 0 H LEU B 38 13.154 -3.528 -5.399 1.00 0.19 H new ATOM 0 HA LEU B 38 11.645 -1.463 -6.627 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.061 -1.579 -4.816 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.491 -0.054 -5.463 1.00 0.19 H new ATOM 0 HG LEU B 38 11.181 -1.235 -4.421 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.781 -1.814 -2.112 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.513 -2.931 -3.288 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.505 -1.665 -2.526 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.367 0.541 -2.718 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.072 0.785 -3.167 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.783 1.138 -4.343 1.00 0.20 H new ATOM 2885 N THR B 39 14.636 -2.052 -7.875 1.00 0.20 N ATOM 2886 CA THR B 39 15.498 -1.716 -9.013 1.00 0.22 C ATOM 2887 C THR B 39 14.776 -1.905 -10.344 1.00 0.23 C ATOM 2888 O THR B 39 15.083 -1.237 -11.331 1.00 0.27 O ATOM 2889 CB THR B 39 16.790 -2.560 -9.041 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.476 -3.959 -9.062 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.666 -2.260 -7.843 1.00 0.27 C ATOM 0 H THR B 39 14.978 -2.814 -7.290 1.00 0.20 H new ATOM 0 HA THR B 39 15.759 -0.666 -8.879 1.00 0.22 H new ATOM 0 HB THR B 39 17.335 -2.297 -9.948 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.521 -4.083 -8.881 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.568 -2.869 -7.890 1.00 0.27 H new ATOM 0 HG22 THR B 39 17.940 -1.205 -7.848 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.121 -2.489 -6.927 1.00 0.27 H new ATOM 2899 N ARG B 40 13.818 -2.816 -10.363 1.00 0.24 N ATOM 2900 CA ARG B 40 13.131 -3.169 -11.589 1.00 0.27 C ATOM 2901 C ARG B 40 11.892 -2.308 -11.816 1.00 0.27 C ATOM 2902 O ARG B 40 11.800 -1.599 -12.817 1.00 0.30 O ATOM 2903 CB ARG B 40 12.750 -4.643 -11.557 1.00 0.31 C ATOM 2904 CG ARG B 40 13.945 -5.584 -11.609 1.00 0.34 C ATOM 2905 CD ARG B 40 14.739 -5.417 -12.890 1.00 0.44 C ATOM 2906 NE ARG B 40 13.885 -5.506 -14.075 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.344 -5.559 -15.321 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.647 -5.645 -15.552 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.490 -5.556 -16.337 1.00 1.06 N ATOM 0 H ARG B 40 13.499 -3.325 -9.539 1.00 0.24 H new ATOM 0 HA ARG B 40 13.811 -2.984 -12.420 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.181 -4.843 -10.649 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.092 -4.858 -12.399 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.593 -5.396 -10.753 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.600 -6.615 -11.527 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.247 -4.453 -12.880 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.512 -6.184 -12.941 1.00 0.44 H new ATOM 0 HE ARG B 40 12.875 -5.529 -13.936 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.303 -5.671 -14.771 1.00 1.22 H new ATOM 0 HH12 ARG B 40 15.993 -5.685 -16.511 1.00 1.22 H new ATOM 0 HH21 ARG B 40 12.486 -5.513 -16.160 1.00 1.06 H new ATOM 0 HH22 ARG B 40 13.837 -5.597 -17.295 1.00 1.06 H new ATOM 2923 N GLU B 41 10.941 -2.366 -10.890 1.00 0.27 N ATOM 2924 CA GLU B 41 9.674 -1.668 -11.076 1.00 0.30 C ATOM 2925 C GLU B 41 9.609 -0.340 -10.321 1.00 0.34 C ATOM 2926 O GLU B 41 8.794 0.515 -10.657 1.00 0.46 O ATOM 2927 CB GLU B 41 8.488 -2.550 -10.671 1.00 0.36 C ATOM 2928 CG GLU B 41 7.852 -3.302 -11.836 1.00 0.45 C ATOM 2929 CD GLU B 41 8.605 -4.562 -12.226 1.00 0.83 C ATOM 2930 OE1 GLU B 41 8.328 -5.634 -11.644 1.00 1.54 O ATOM 2931 OE2 GLU B 41 9.449 -4.487 -13.140 1.00 1.59 O ATOM 0 H GLU B 41 11.021 -2.882 -10.014 1.00 0.27 H new ATOM 0 HA GLU B 41 9.611 -1.445 -12.141 1.00 0.30 H new ATOM 0 HB2 GLU B 41 8.822 -3.271 -9.925 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.730 -1.927 -10.196 1.00 0.36 H new ATOM 0 HG2 GLU B 41 6.828 -3.567 -11.572 1.00 0.45 H new ATOM 0 HG3 GLU B 41 7.797 -2.639 -12.699 1.00 0.45 H new ATOM 2938 N LEU B 42 10.464 -0.141 -9.321 1.00 0.27 N ATOM 2939 CA LEU B 42 10.399 1.088 -8.520 1.00 0.28 C ATOM 2940 C LEU B 42 11.698 1.910 -8.575 1.00 0.27 C ATOM 2941 O LEU B 42 12.134 2.419 -7.543 1.00 0.26 O ATOM 2942 CB LEU B 42 10.115 0.760 -7.043 1.00 0.27 C ATOM 2943 CG LEU B 42 8.873 -0.084 -6.751 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.171 -1.562 -6.928 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.378 0.194 -5.341 1.00 0.32 C ATOM 0 H LEU B 42 11.196 -0.796 -9.046 1.00 0.27 H new ATOM 0 HA LEU B 42 9.592 1.679 -8.953 1.00 0.28 H new ATOM 0 HB2 LEU B 42 10.983 0.239 -6.638 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.023 1.699 -6.498 1.00 0.27 H new ATOM 0 HG LEU B 42 8.092 0.189 -7.461 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.273 -2.142 -6.715 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.489 -1.749 -7.954 1.00 0.26 H new ATOM 0 HD13 LEU B 42 9.965 -1.858 -6.242 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.493 -0.410 -5.140 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.160 -0.058 -4.625 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.125 1.250 -5.246 1.00 0.32 H new ATOM 2957 N PRO B 43 12.325 2.110 -9.754 1.00 0.31 N ATOM 2958 CA PRO B 43 13.630 2.763 -9.820 1.00 0.33 C ATOM 2959 C PRO B 43 13.530 4.262 -9.566 1.00 0.33 C ATOM 2960 O PRO B 43 14.483 4.896 -9.110 1.00 0.36 O ATOM 2961 CB PRO B 43 14.116 2.498 -11.247 1.00 0.41 C ATOM 2962 CG PRO B 43 13.095 1.604 -11.880 1.00 0.51 C ATOM 2963 CD PRO B 43 11.829 1.783 -11.096 1.00 0.35 C ATOM 0 HA PRO B 43 14.308 2.378 -9.058 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.215 3.430 -11.803 1.00 0.41 H new ATOM 0 HB3 PRO B 43 15.098 2.024 -11.242 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.944 1.868 -12.927 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.422 0.564 -11.857 1.00 0.51 H new ATOM 0 HD2 PRO B 43 11.209 2.581 -11.504 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.222 0.877 -11.094 1.00 0.35 H new ATOM 2971 N SER B 44 12.365 4.822 -9.864 1.00 0.36 N ATOM 2972 CA SER B 44 12.107 6.232 -9.628 1.00 0.39 C ATOM 2973 C SER B 44 11.989 6.506 -8.138 1.00 0.35 C ATOM 2974 O SER B 44 12.438 7.543 -7.647 1.00 0.40 O ATOM 2975 CB SER B 44 10.821 6.645 -10.334 1.00 0.46 C ATOM 2976 OG SER B 44 9.803 5.683 -10.115 1.00 1.09 O ATOM 0 H SER B 44 11.580 4.315 -10.273 1.00 0.36 H new ATOM 0 HA SER B 44 12.939 6.813 -10.025 1.00 0.39 H new ATOM 0 HB2 SER B 44 10.495 7.618 -9.968 1.00 0.46 H new ATOM 0 HB3 SER B 44 11.004 6.752 -11.403 1.00 0.46 H new ATOM 0 HG SER B 44 8.984 5.964 -10.573 1.00 1.09 H new ATOM 2982 N PHE B 45 11.399 5.553 -7.421 1.00 0.30 N ATOM 2983 CA PHE B 45 11.182 5.681 -5.989 1.00 0.28 C ATOM 2984 C PHE B 45 12.443 5.326 -5.223 1.00 0.28 C ATOM 2985 O PHE B 45 12.378 4.940 -4.067 1.00 0.27 O ATOM 2986 CB PHE B 45 10.042 4.770 -5.525 1.00 0.31 C ATOM 2987 CG PHE B 45 8.829 4.785 -6.408 1.00 0.28 C ATOM 2988 CD1 PHE B 45 8.080 5.936 -6.577 1.00 1.28 C ATOM 2989 CD2 PHE B 45 8.432 3.630 -7.056 1.00 1.17 C ATOM 2990 CE1 PHE B 45 6.956 5.929 -7.381 1.00 1.34 C ATOM 2991 CE2 PHE B 45 7.315 3.616 -7.861 1.00 1.18 C ATOM 2992 CZ PHE B 45 6.574 4.765 -8.025 1.00 0.47 C ATOM 0 H PHE B 45 11.061 4.676 -7.817 1.00 0.30 H new ATOM 0 HA PHE B 45 10.915 6.719 -5.789 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.415 3.748 -5.460 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.746 5.065 -4.518 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.376 6.846 -6.077 1.00 1.28 H new ATOM 0 HD2 PHE B 45 9.007 2.725 -6.929 1.00 1.17 H new ATOM 0 HE1 PHE B 45 6.376 6.831 -7.507 1.00 1.34 H new ATOM 0 HE2 PHE B 45 7.021 2.706 -8.363 1.00 1.18 H new ATOM 0 HZ PHE B 45 5.697 4.758 -8.655 1.00 0.47 H new ATOM 3002 N LEU B 46 13.590 5.455 -5.862 1.00 0.32 N ATOM 3003 CA LEU B 46 14.845 5.228 -5.178 1.00 0.33 C ATOM 3004 C LEU B 46 15.474 6.563 -4.784 1.00 0.39 C ATOM 3005 O LEU B 46 16.078 6.681 -3.729 1.00 0.47 O ATOM 3006 CB LEU B 46 15.796 4.397 -6.046 1.00 0.35 C ATOM 3007 CG LEU B 46 15.232 3.049 -6.521 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.325 2.184 -7.127 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.547 2.317 -5.377 1.00 0.30 C ATOM 0 H LEU B 46 13.677 5.713 -6.845 1.00 0.32 H new ATOM 0 HA LEU B 46 14.653 4.659 -4.268 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.074 4.986 -6.920 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.711 4.213 -5.482 1.00 0.35 H new ATOM 0 HG LEU B 46 14.490 3.251 -7.294 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.899 1.236 -7.455 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.765 2.699 -7.981 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.096 1.996 -6.380 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.155 1.365 -5.737 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.267 2.135 -4.579 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.727 2.925 -4.995 1.00 0.30 H new ATOM 3021 N GLY B 47 15.280 7.572 -5.623 1.00 0.41 N ATOM 3022 CA GLY B 47 15.830 8.910 -5.387 1.00 0.49 C ATOM 3023 C GLY B 47 17.359 8.992 -5.320 1.00 0.53 C ATOM 3024 O GLY B 47 17.943 10.007 -5.708 1.00 0.60 O ATOM 0 H GLY B 47 14.740 7.492 -6.484 1.00 0.41 H new ATOM 0 HA2 GLY B 47 15.482 9.572 -6.180 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.422 9.292 -4.451 1.00 0.49 H new ATOM 3028 N LYS B 48 18.004 7.942 -4.833 1.00 0.54 N ATOM 3029 CA LYS B 48 19.451 7.925 -4.657 1.00 0.67 C ATOM 3030 C LYS B 48 20.053 6.642 -5.232 1.00 0.70 C ATOM 3031 O LYS B 48 21.267 6.547 -5.413 1.00 1.18 O ATOM 3032 CB LYS B 48 19.775 8.029 -3.159 1.00 0.82 C ATOM 3033 CG LYS B 48 21.260 8.072 -2.837 1.00 1.41 C ATOM 3034 CD LYS B 48 21.504 7.901 -1.347 1.00 2.04 C ATOM 3035 CE LYS B 48 22.986 7.956 -1.011 1.00 2.61 C ATOM 3036 NZ LYS B 48 23.767 6.923 -1.743 1.00 3.21 N ATOM 0 H LYS B 48 17.541 7.079 -4.549 1.00 0.54 H new ATOM 0 HA LYS B 48 19.884 8.772 -5.190 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.303 8.927 -2.760 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.329 7.178 -2.644 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.777 7.285 -3.386 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.680 9.021 -3.170 1.00 1.41 H new ATOM 0 HD2 LYS B 48 20.977 8.683 -0.800 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.091 6.948 -1.017 1.00 2.04 H new ATOM 0 HE2 LYS B 48 23.376 8.944 -1.255 1.00 2.61 H new ATOM 0 HE3 LYS B 48 23.119 7.817 0.062 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 24.657 6.739 -1.238 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 23.213 6.045 -1.800 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 23.977 7.262 -2.703 1.00 3.21 H new ATOM 3050 N ARG B 49 19.185 5.678 -5.542 1.00 0.54 N ATOM 3051 CA ARG B 49 19.590 4.329 -5.952 1.00 0.54 C ATOM 3052 C ARG B 49 20.118 3.543 -4.750 1.00 0.51 C ATOM 3053 O ARG B 49 20.913 4.048 -3.958 1.00 0.55 O ATOM 3054 CB ARG B 49 20.632 4.353 -7.085 1.00 0.66 C ATOM 3055 CG ARG B 49 21.048 2.967 -7.563 1.00 0.74 C ATOM 3056 CD ARG B 49 19.884 2.217 -8.199 1.00 0.73 C ATOM 3057 NE ARG B 49 19.728 2.522 -9.622 1.00 1.28 N ATOM 3058 CZ ARG B 49 18.863 3.410 -10.119 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.102 4.136 -9.311 1.00 1.43 N ATOM 3060 NH2 ARG B 49 18.758 3.573 -11.431 1.00 2.26 N ATOM 0 H ARG B 49 18.174 5.810 -5.516 1.00 0.54 H new ATOM 0 HA ARG B 49 18.704 3.828 -6.343 1.00 0.54 H new ATOM 0 HB2 ARG B 49 20.226 4.912 -7.928 1.00 0.66 H new ATOM 0 HB3 ARG B 49 21.516 4.890 -6.742 1.00 0.66 H new ATOM 0 HG2 ARG B 49 21.859 3.059 -8.285 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.434 2.393 -6.721 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.037 1.145 -8.076 1.00 0.73 H new ATOM 0 HD3 ARG B 49 18.963 2.470 -7.674 1.00 0.73 H new ATOM 0 HE ARG B 49 20.323 2.020 -10.282 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.174 4.019 -8.300 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.444 4.812 -9.700 1.00 1.43 H new ATOM 0 HH21 ARG B 49 19.338 3.020 -12.062 1.00 2.26 H new ATOM 0 HH22 ARG B 49 18.097 4.251 -11.809 1.00 2.26 H new ATOM 3074 N THR B 50 19.657 2.307 -4.625 1.00 0.51 N ATOM 3075 CA THR B 50 20.003 1.454 -3.500 1.00 0.51 C ATOM 3076 C THR B 50 21.500 1.157 -3.443 1.00 0.61 C ATOM 3077 O THR B 50 22.107 0.782 -4.449 1.00 0.82 O ATOM 3078 CB THR B 50 19.227 0.132 -3.583 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.355 -0.415 -4.901 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.755 0.344 -3.257 1.00 0.57 C ATOM 0 H THR B 50 19.032 1.868 -5.301 1.00 0.51 H new ATOM 0 HA THR B 50 19.731 1.992 -2.592 1.00 0.51 H new ATOM 0 HB THR B 50 19.644 -0.561 -2.853 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.279 -0.311 -5.210 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.227 -0.607 -3.323 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.660 0.743 -2.247 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.323 1.049 -3.968 1.00 0.57 H new ATOM 3088 N ASP B 51 22.087 1.340 -2.267 1.00 0.58 N ATOM 3089 CA ASP B 51 23.494 1.024 -2.051 1.00 0.72 C ATOM 3090 C ASP B 51 23.616 -0.222 -1.188 1.00 0.60 C ATOM 3091 O ASP B 51 22.619 -0.886 -0.897 1.00 0.58 O ATOM 3092 CB ASP B 51 24.224 2.177 -1.353 1.00 0.91 C ATOM 3093 CG ASP B 51 24.045 3.508 -2.050 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.670 3.720 -3.109 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.286 4.355 -1.539 1.00 1.91 O ATOM 0 H ASP B 51 21.608 1.707 -1.445 1.00 0.58 H new ATOM 0 HA ASP B 51 23.950 0.857 -3.027 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.862 2.260 -0.328 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.287 1.944 -1.297 1.00 0.91 H new ATOM 3100 N GLU B 52 24.830 -0.523 -0.761 1.00 0.68 N ATOM 3101 CA GLU B 52 25.061 -1.653 0.122 1.00 0.66 C ATOM 3102 C GLU B 52 24.885 -1.218 1.573 1.00 0.55 C ATOM 3103 O GLU B 52 24.084 -1.790 2.316 1.00 0.50 O ATOM 3104 CB GLU B 52 26.466 -2.220 -0.090 1.00 0.83 C ATOM 3105 CG GLU B 52 26.723 -3.492 0.692 1.00 1.57 C ATOM 3106 CD GLU B 52 25.823 -4.629 0.253 1.00 2.22 C ATOM 3107 OE1 GLU B 52 24.650 -4.663 0.677 1.00 2.89 O ATOM 3108 OE2 GLU B 52 26.282 -5.483 -0.531 1.00 2.79 O ATOM 0 H GLU B 52 25.670 -0.001 -1.011 1.00 0.68 H new ATOM 0 HA GLU B 52 24.336 -2.433 -0.109 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.614 -2.418 -1.152 1.00 0.83 H new ATOM 0 HB3 GLU B 52 27.201 -1.469 0.200 1.00 0.83 H new ATOM 0 HG2 GLU B 52 27.765 -3.788 0.568 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.570 -3.300 1.754 1.00 1.57 H new ATOM 3115 N ALA B 53 25.612 -0.174 1.958 1.00 0.58 N ATOM 3116 CA ALA B 53 25.540 0.358 3.312 1.00 0.58 C ATOM 3117 C ALA B 53 24.205 1.051 3.547 1.00 0.53 C ATOM 3118 O ALA B 53 23.824 1.331 4.682 1.00 0.58 O ATOM 3119 CB ALA B 53 26.690 1.322 3.565 1.00 0.70 C ATOM 0 H ALA B 53 26.261 0.322 1.347 1.00 0.58 H new ATOM 0 HA ALA B 53 25.622 -0.473 4.012 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.622 1.711 4.581 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.638 0.799 3.439 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.635 2.148 2.856 1.00 0.70 H new ATOM 3125 N ALA B 54 23.498 1.320 2.465 1.00 0.52 N ATOM 3126 CA ALA B 54 22.183 1.929 2.545 1.00 0.51 C ATOM 3127 C ALA B 54 21.115 0.876 2.776 1.00 0.39 C ATOM 3128 O ALA B 54 20.136 1.114 3.478 1.00 0.35 O ATOM 3129 CB ALA B 54 21.880 2.674 1.267 1.00 0.63 C ATOM 0 H ALA B 54 23.815 1.125 1.515 1.00 0.52 H new ATOM 0 HA ALA B 54 22.181 2.624 3.385 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.891 3.128 1.336 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.627 3.453 1.114 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.903 1.980 0.427 1.00 0.63 H new ATOM 3135 N PHE B 55 21.301 -0.290 2.177 1.00 0.38 N ATOM 3136 CA PHE B 55 20.281 -1.325 2.228 1.00 0.32 C ATOM 3137 C PHE B 55 20.231 -2.008 3.591 1.00 0.31 C ATOM 3138 O PHE B 55 19.181 -2.503 3.997 1.00 0.31 O ATOM 3139 CB PHE B 55 20.483 -2.361 1.130 1.00 0.41 C ATOM 3140 CG PHE B 55 19.180 -2.854 0.583 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.374 -3.700 1.325 1.00 1.23 C ATOM 3142 CD2 PHE B 55 18.749 -2.449 -0.664 1.00 1.25 C ATOM 3143 CE1 PHE B 55 17.161 -4.131 0.831 1.00 1.30 C ATOM 3144 CE2 PHE B 55 17.541 -2.879 -1.164 1.00 1.22 C ATOM 3145 CZ PHE B 55 16.744 -3.723 -0.416 1.00 0.46 C ATOM 0 H PHE B 55 22.140 -0.542 1.655 1.00 0.38 H new ATOM 0 HA PHE B 55 19.325 -0.828 2.064 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.074 -1.926 0.324 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.053 -3.202 1.525 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.699 -4.026 2.302 1.00 1.23 H new ATOM 0 HD2 PHE B 55 19.366 -1.788 -1.254 1.00 1.25 H new ATOM 0 HE1 PHE B 55 16.539 -4.788 1.421 1.00 1.30 H new ATOM 0 HE2 PHE B 55 17.216 -2.556 -2.142 1.00 1.22 H new ATOM 0 HZ PHE B 55 15.796 -4.062 -0.808 1.00 0.46 H new ATOM 3155 N GLN B 56 21.355 -2.038 4.298 1.00 0.35 N ATOM 3156 CA GLN B 56 21.361 -2.559 5.660 1.00 0.41 C ATOM 3157 C GLN B 56 20.476 -1.681 6.540 1.00 0.42 C ATOM 3158 O GLN B 56 19.863 -2.148 7.500 1.00 0.52 O ATOM 3159 CB GLN B 56 22.786 -2.630 6.214 1.00 0.51 C ATOM 3160 CG GLN B 56 23.500 -1.294 6.251 1.00 0.53 C ATOM 3161 CD GLN B 56 24.945 -1.413 6.694 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.798 -0.639 6.267 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.232 -2.376 7.550 1.00 1.53 N ATOM 0 H GLN B 56 22.260 -1.713 3.958 1.00 0.35 H new ATOM 0 HA GLN B 56 20.964 -3.574 5.655 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.752 -3.041 7.223 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.367 -3.324 5.607 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.464 -0.841 5.260 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.971 -0.623 6.928 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.496 -2.999 7.882 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.190 -2.497 7.879 1.00 1.53 H new ATOM 3172 N LYS B 57 20.401 -0.404 6.176 1.00 0.36 N ATOM 3173 CA LYS B 57 19.464 0.518 6.794 1.00 0.39 C ATOM 3174 C LYS B 57 18.068 0.269 6.245 1.00 0.34 C ATOM 3175 O LYS B 57 17.112 0.133 6.997 1.00 0.41 O ATOM 3176 CB LYS B 57 19.859 1.969 6.510 1.00 0.44 C ATOM 3177 CG LYS B 57 21.155 2.414 7.160 1.00 0.54 C ATOM 3178 CD LYS B 57 21.482 3.853 6.786 1.00 0.61 C ATOM 3179 CE LYS B 57 22.642 4.402 7.601 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.340 4.428 9.056 1.00 1.27 N ATOM 0 H LYS B 57 20.984 0.014 5.451 1.00 0.36 H new ATOM 0 HA LYS B 57 19.481 0.352 7.871 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.945 2.103 5.432 1.00 0.44 H new ATOM 0 HB3 LYS B 57 19.055 2.623 6.849 1.00 0.44 H new ATOM 0 HG2 LYS B 57 21.073 2.325 8.243 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.968 1.759 6.847 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.727 3.905 5.725 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.602 4.477 6.941 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.528 3.792 7.426 1.00 0.79 H new ATOM 0 HE3 LYS B 57 22.877 5.411 7.262 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 22.991 5.084 9.534 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 21.360 4.745 9.202 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.458 3.474 9.452 1.00 1.27 H new ATOM 3194 N LEU B 58 17.976 0.200 4.917 1.00 0.27 N ATOM 3195 CA LEU B 58 16.700 0.043 4.224 1.00 0.25 C ATOM 3196 C LEU B 58 15.906 -1.141 4.752 1.00 0.24 C ATOM 3197 O LEU B 58 14.759 -0.986 5.162 1.00 0.26 O ATOM 3198 CB LEU B 58 16.913 -0.133 2.720 1.00 0.22 C ATOM 3199 CG LEU B 58 15.615 -0.228 1.927 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.837 1.055 2.067 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.875 -0.512 0.463 1.00 0.23 C ATOM 0 H LEU B 58 18.782 0.251 4.294 1.00 0.27 H new ATOM 0 HA LEU B 58 16.132 0.954 4.411 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.498 0.706 2.344 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.501 -1.034 2.548 1.00 0.22 H new ATOM 0 HG LEU B 58 15.035 -1.058 2.331 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.910 0.982 1.498 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.605 1.227 3.118 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.432 1.885 1.686 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.926 -0.573 -0.070 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.479 0.290 0.038 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.407 -1.458 0.365 1.00 0.23 H new ATOM 3213 N MET B 59 16.513 -2.318 4.720 1.00 0.24 N ATOM 3214 CA MET B 59 15.867 -3.532 5.204 1.00 0.27 C ATOM 3215 C MET B 59 15.271 -3.331 6.593 1.00 0.34 C ATOM 3216 O MET B 59 14.099 -3.616 6.816 1.00 0.41 O ATOM 3217 CB MET B 59 16.856 -4.699 5.217 1.00 0.28 C ATOM 3218 CG MET B 59 16.392 -5.894 6.038 1.00 0.30 C ATOM 3219 SD MET B 59 14.698 -6.395 5.674 1.00 0.31 S ATOM 3220 CE MET B 59 14.822 -6.815 3.945 1.00 0.25 C ATOM 0 H MET B 59 17.458 -2.460 4.362 1.00 0.24 H new ATOM 0 HA MET B 59 15.052 -3.767 4.519 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.034 -5.023 4.191 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.810 -4.349 5.611 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.060 -6.735 5.852 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.472 -5.651 7.098 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.898 -7.292 3.619 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.988 -5.909 3.362 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.656 -7.501 3.796 1.00 0.25 H new ATOM 3230 N SER B 60 16.061 -2.803 7.510 1.00 0.39 N ATOM 3231 CA SER B 60 15.610 -2.636 8.877 1.00 0.51 C ATOM 3232 C SER B 60 14.713 -1.404 9.019 1.00 0.44 C ATOM 3233 O SER B 60 14.122 -1.170 10.073 1.00 0.51 O ATOM 3234 CB SER B 60 16.815 -2.568 9.812 1.00 0.70 C ATOM 3235 OG SER B 60 17.773 -1.623 9.355 1.00 1.36 O ATOM 0 H SER B 60 17.014 -2.484 7.333 1.00 0.39 H new ATOM 0 HA SER B 60 15.006 -3.499 9.157 1.00 0.51 H new ATOM 0 HB2 SER B 60 16.485 -2.297 10.815 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.278 -3.552 9.884 1.00 0.70 H new ATOM 0 HG SER B 60 18.374 -2.052 8.710 1.00 1.36 H new ATOM 3241 N ASN B 61 14.603 -0.626 7.946 1.00 0.37 N ATOM 3242 CA ASN B 61 13.690 0.503 7.905 1.00 0.42 C ATOM 3243 C ASN B 61 12.355 0.045 7.367 1.00 0.44 C ATOM 3244 O ASN B 61 11.374 0.778 7.396 1.00 0.64 O ATOM 3245 CB ASN B 61 14.247 1.653 7.072 1.00 0.46 C ATOM 3246 CG ASN B 61 15.190 2.540 7.866 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.870 2.089 8.784 1.00 0.96 O ATOM 3248 ND2 ASN B 61 15.229 3.817 7.527 1.00 0.92 N ATOM 0 H ASN B 61 15.140 -0.761 7.090 1.00 0.37 H new ATOM 0 HA ASN B 61 13.563 0.882 8.919 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.774 1.250 6.207 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.422 2.254 6.690 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.837 4.461 8.033 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.651 4.159 6.759 1.00 0.92 H new ATOM 3255 N LEU B 62 12.330 -1.172 6.860 1.00 0.33 N ATOM 3256 CA LEU B 62 11.084 -1.830 6.560 1.00 0.39 C ATOM 3257 C LEU B 62 10.784 -2.835 7.653 1.00 0.54 C ATOM 3258 O LEU B 62 9.919 -2.607 8.493 1.00 1.18 O ATOM 3259 CB LEU B 62 11.138 -2.524 5.198 1.00 0.35 C ATOM 3260 CG LEU B 62 10.857 -1.630 3.992 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.540 -0.901 4.184 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.984 -0.641 3.756 1.00 0.22 C ATOM 0 H LEU B 62 13.163 -1.722 6.649 1.00 0.33 H new ATOM 0 HA LEU B 62 10.291 -1.084 6.516 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.125 -2.969 5.076 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.417 -3.342 5.198 1.00 0.35 H new ATOM 0 HG LEU B 62 10.789 -2.265 3.109 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.347 -0.265 3.320 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.734 -1.627 4.288 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.592 -0.286 5.082 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.749 -0.022 2.890 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.101 -0.007 4.635 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.912 -1.183 3.574 1.00 0.22 H new ATOM 3274 N ASP B 63 11.570 -3.902 7.672 1.00 0.31 N ATOM 3275 CA ASP B 63 11.387 -4.994 8.615 1.00 0.33 C ATOM 3276 C ASP B 63 11.614 -4.527 10.044 1.00 0.37 C ATOM 3277 O ASP B 63 12.744 -4.253 10.457 1.00 0.43 O ATOM 3278 CB ASP B 63 12.333 -6.144 8.272 1.00 0.40 C ATOM 3279 CG ASP B 63 12.294 -7.261 9.289 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.193 -7.616 9.760 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.369 -7.795 9.616 1.00 1.08 O ATOM 0 H ASP B 63 12.354 -4.034 7.033 1.00 0.31 H new ATOM 0 HA ASP B 63 10.358 -5.345 8.538 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.072 -6.543 7.292 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.351 -5.761 8.199 1.00 0.40 H new ATOM 3286 N SER B 64 10.529 -4.426 10.788 1.00 0.43 N ATOM 3287 CA SER B 64 10.582 -3.982 12.165 1.00 0.52 C ATOM 3288 C SER B 64 10.924 -5.142 13.095 1.00 0.58 C ATOM 3289 O SER B 64 11.137 -4.949 14.293 1.00 0.71 O ATOM 3290 CB SER B 64 9.247 -3.349 12.553 1.00 0.67 C ATOM 3291 OG SER B 64 8.914 -2.291 11.666 1.00 1.14 O ATOM 0 H SER B 64 9.591 -4.649 10.455 1.00 0.43 H new ATOM 0 HA SER B 64 11.369 -3.234 12.265 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.462 -4.105 12.535 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.302 -2.970 13.574 1.00 0.67 H new ATOM 0 HG SER B 64 8.055 -1.900 11.931 1.00 1.14 H new ATOM 3297 N ASN B 65 10.989 -6.346 12.537 1.00 0.60 N ATOM 3298 CA ASN B 65 11.375 -7.522 13.309 1.00 0.75 C ATOM 3299 C ASN B 65 12.888 -7.623 13.380 1.00 0.76 C ATOM 3300 O ASN B 65 13.436 -8.386 14.179 1.00 0.91 O ATOM 3301 CB ASN B 65 10.802 -8.801 12.694 1.00 0.89 C ATOM 3302 CG ASN B 65 9.292 -8.877 12.797 1.00 1.52 C ATOM 3303 OD1 ASN B 65 8.692 -8.359 13.741 1.00 1.87 O ATOM 3304 ND2 ASN B 65 8.670 -9.523 11.826 1.00 2.34 N ATOM 0 H ASN B 65 10.780 -6.533 11.556 1.00 0.60 H new ATOM 0 HA ASN B 65 10.968 -7.413 14.314 1.00 0.75 H new ATOM 0 HB2 ASN B 65 11.093 -8.856 11.645 1.00 0.89 H new ATOM 0 HB3 ASN B 65 11.240 -9.666 13.192 1.00 0.89 H new ATOM 0 HD21 ASN B 65 7.654 -9.608 11.839 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.206 -9.937 11.063 1.00 2.34 H new ATOM 3311 N ARG B 66 13.554 -6.845 12.526 1.00 0.68 N ATOM 3312 CA ARG B 66 15.012 -6.798 12.472 1.00 0.81 C ATOM 3313 C ARG B 66 15.581 -8.180 12.182 1.00 0.88 C ATOM 3314 O ARG B 66 16.618 -8.566 12.719 1.00 1.11 O ATOM 3315 CB ARG B 66 15.589 -6.249 13.782 1.00 1.04 C ATOM 3316 CG ARG B 66 15.119 -4.843 14.116 1.00 1.10 C ATOM 3317 CD ARG B 66 15.868 -4.275 15.310 1.00 1.39 C ATOM 3318 NE ARG B 66 17.288 -4.079 15.018 1.00 2.08 N ATOM 3319 CZ ARG B 66 18.260 -4.176 15.924 1.00 2.77 C ATOM 3320 NH1 ARG B 66 17.977 -4.466 17.189 1.00 2.86 N ATOM 3321 NH2 ARG B 66 19.519 -3.974 15.559 1.00 3.79 N ATOM 0 H ARG B 66 13.096 -6.230 11.853 1.00 0.68 H new ATOM 0 HA ARG B 66 15.299 -6.126 11.663 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.314 -6.918 14.598 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.677 -6.253 13.719 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.264 -4.195 13.252 1.00 1.10 H new ATOM 0 HG3 ARG B 66 14.050 -4.856 14.328 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.422 -3.324 15.600 1.00 1.39 H new ATOM 0 HD3 ARG B 66 15.761 -4.949 16.160 1.00 1.39 H new ATOM 0 HE ARG B 66 17.551 -3.853 14.059 1.00 2.08 H new ATOM 0 HH11 ARG B 66 17.009 -4.616 17.473 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.728 -4.538 17.876 1.00 2.86 H new ATOM 0 HH21 ARG B 66 19.739 -3.746 14.589 1.00 3.79 H new ATOM 0 HH22 ARG B 66 20.268 -4.047 16.248 1.00 3.79 H new ATOM 3335 N ASP B 67 14.917 -8.906 11.297 1.00 0.75 N ATOM 3336 CA ASP B 67 15.305 -10.267 10.979 1.00 0.88 C ATOM 3337 C ASP B 67 16.010 -10.275 9.637 1.00 0.77 C ATOM 3338 O ASP B 67 16.537 -11.296 9.199 1.00 0.96 O ATOM 3339 CB ASP B 67 14.081 -11.183 10.945 1.00 1.00 C ATOM 3340 CG ASP B 67 14.425 -12.610 11.313 1.00 1.39 C ATOM 3341 OD1 ASP B 67 14.403 -12.932 12.520 1.00 1.95 O ATOM 3342 OD2 ASP B 67 14.716 -13.420 10.412 1.00 1.93 O ATOM 0 H ASP B 67 14.102 -8.571 10.784 1.00 0.75 H new ATOM 0 HA ASP B 67 15.980 -10.641 11.749 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.326 -10.804 11.634 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.641 -11.163 9.948 1.00 1.00 H new ATOM 3347 N ASN B 68 15.992 -9.101 8.997 1.00 0.62 N ATOM 3348 CA ASN B 68 16.717 -8.847 7.748 1.00 0.55 C ATOM 3349 C ASN B 68 15.953 -9.385 6.547 1.00 0.43 C ATOM 3350 O ASN B 68 16.509 -9.539 5.460 1.00 0.57 O ATOM 3351 CB ASN B 68 18.146 -9.414 7.781 1.00 0.77 C ATOM 3352 CG ASN B 68 19.076 -8.662 8.724 1.00 1.30 C ATOM 3353 OD1 ASN B 68 20.266 -8.522 8.448 1.00 1.41 O ATOM 3354 ND2 ASN B 68 18.555 -8.186 9.844 1.00 2.22 N ATOM 0 H ASN B 68 15.469 -8.293 9.335 1.00 0.62 H new ATOM 0 HA ASN B 68 16.798 -7.765 7.646 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.106 -10.461 8.081 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.563 -9.387 6.774 1.00 0.77 H new ATOM 0 HD21 ASN B 68 19.145 -7.686 10.509 1.00 2.22 H new ATOM 0 HD22 ASN B 68 17.563 -8.320 10.042 1.00 2.22 H new ATOM 3361 N GLU B 69 14.666 -9.628 6.742 1.00 0.42 N ATOM 3362 CA GLU B 69 13.788 -10.063 5.678 1.00 0.42 C ATOM 3363 C GLU B 69 12.348 -9.682 5.993 1.00 0.39 C ATOM 3364 O GLU B 69 11.795 -10.046 7.031 1.00 0.54 O ATOM 3365 CB GLU B 69 13.941 -11.563 5.410 1.00 0.60 C ATOM 3366 CG GLU B 69 14.223 -12.398 6.644 1.00 1.04 C ATOM 3367 CD GLU B 69 15.152 -13.551 6.335 1.00 1.44 C ATOM 3368 OE1 GLU B 69 14.710 -14.526 5.698 1.00 2.09 O ATOM 3369 OE2 GLU B 69 16.342 -13.475 6.701 1.00 1.84 O ATOM 0 H GLU B 69 14.204 -9.528 7.646 1.00 0.42 H new ATOM 0 HA GLU B 69 14.074 -9.550 4.760 1.00 0.42 H new ATOM 0 HB2 GLU B 69 13.029 -11.930 4.940 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.750 -11.710 4.695 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.667 -11.769 7.416 1.00 1.04 H new ATOM 0 HG3 GLU B 69 13.286 -12.783 7.046 1.00 1.04 H new ATOM 3376 N VAL B 70 11.771 -8.932 5.074 1.00 0.28 N ATOM 3377 CA VAL B 70 10.464 -8.323 5.237 1.00 0.25 C ATOM 3378 C VAL B 70 9.335 -9.305 4.943 1.00 0.25 C ATOM 3379 O VAL B 70 9.227 -9.824 3.833 1.00 0.33 O ATOM 3380 CB VAL B 70 10.358 -7.097 4.302 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.920 -6.711 4.036 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.106 -5.926 4.896 1.00 0.30 C ATOM 0 H VAL B 70 12.206 -8.725 4.175 1.00 0.28 H new ATOM 0 HA VAL B 70 10.359 -8.014 6.277 1.00 0.25 H new ATOM 0 HB VAL B 70 10.807 -7.372 3.348 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.892 -5.845 3.375 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.401 -7.545 3.564 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.429 -6.464 4.978 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.025 -5.067 4.230 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.677 -5.674 5.866 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.156 -6.191 5.021 1.00 0.30 H new ATOM 3392 N ASP B 71 8.499 -9.549 5.945 1.00 0.25 N ATOM 3393 CA ASP B 71 7.354 -10.442 5.793 1.00 0.29 C ATOM 3394 C ASP B 71 6.186 -9.723 5.099 1.00 0.22 C ATOM 3395 O ASP B 71 6.323 -8.576 4.684 1.00 0.21 O ATOM 3396 CB ASP B 71 6.917 -10.986 7.159 1.00 0.42 C ATOM 3397 CG ASP B 71 7.771 -12.148 7.627 1.00 1.18 C ATOM 3398 OD1 ASP B 71 7.477 -13.302 7.237 1.00 1.72 O ATOM 3399 OD2 ASP B 71 8.726 -11.921 8.399 1.00 2.06 O ATOM 0 H ASP B 71 8.592 -9.140 6.875 1.00 0.25 H new ATOM 0 HA ASP B 71 7.655 -11.280 5.165 1.00 0.29 H new ATOM 0 HB2 ASP B 71 6.965 -10.185 7.897 1.00 0.42 H new ATOM 0 HB3 ASP B 71 5.876 -11.305 7.102 1.00 0.42 H new ATOM 3404 N PHE B 72 5.037 -10.396 4.991 1.00 0.21 N ATOM 3405 CA PHE B 72 3.926 -9.927 4.158 1.00 0.19 C ATOM 3406 C PHE B 72 3.412 -8.527 4.540 1.00 0.15 C ATOM 3407 O PHE B 72 3.409 -7.630 3.696 1.00 0.14 O ATOM 3408 CB PHE B 72 2.773 -10.930 4.193 1.00 0.21 C ATOM 3409 CG PHE B 72 1.918 -10.910 2.953 1.00 0.20 C ATOM 3410 CD1 PHE B 72 2.114 -9.953 1.964 1.00 1.18 C ATOM 3411 CD2 PHE B 72 0.930 -11.859 2.770 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.341 -9.946 0.821 1.00 1.20 C ATOM 3413 CE2 PHE B 72 0.152 -11.855 1.629 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.359 -10.898 0.654 1.00 0.32 C ATOM 0 H PHE B 72 4.851 -11.275 5.474 1.00 0.21 H new ATOM 0 HA PHE B 72 4.324 -9.847 3.146 1.00 0.19 H new ATOM 0 HB2 PHE B 72 3.179 -11.933 4.328 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.146 -10.720 5.060 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.882 -9.205 2.092 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.765 -12.611 3.527 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.505 -9.197 0.060 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.619 -12.600 1.499 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.249 -10.896 -0.239 1.00 0.32 H new ATOM 3424 N GLN B 73 2.956 -8.327 5.781 1.00 0.15 N ATOM 3425 CA GLN B 73 2.405 -7.020 6.163 1.00 0.14 C ATOM 3426 C GLN B 73 3.482 -5.951 6.068 1.00 0.12 C ATOM 3427 O GLN B 73 3.201 -4.815 5.692 1.00 0.13 O ATOM 3428 CB GLN B 73 1.773 -7.026 7.570 1.00 0.16 C ATOM 3429 CG GLN B 73 1.077 -5.726 7.927 1.00 0.26 C ATOM 3430 CD GLN B 73 0.496 -5.746 9.324 1.00 0.22 C ATOM 3431 OE1 GLN B 73 0.030 -6.779 9.805 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.571 -4.621 10.004 1.00 0.60 N ATOM 0 H GLN B 73 2.955 -9.030 6.520 1.00 0.15 H new ATOM 0 HA GLN B 73 1.603 -6.793 5.461 1.00 0.14 H new ATOM 0 HB2 GLN B 73 1.054 -7.843 7.633 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.550 -7.227 8.308 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.786 -4.903 7.844 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.280 -5.534 7.208 1.00 0.26 H new ATOM 0 HE21 GLN B 73 0.964 -3.787 9.568 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.236 -4.584 10.967 1.00 0.60 H new ATOM 3441 N GLU B 74 4.722 -6.337 6.358 1.00 0.14 N ATOM 3442 CA GLU B 74 5.843 -5.419 6.265 1.00 0.17 C ATOM 3443 C GLU B 74 6.088 -5.053 4.811 1.00 0.14 C ATOM 3444 O GLU B 74 6.474 -3.933 4.491 1.00 0.16 O ATOM 3445 CB GLU B 74 7.102 -6.048 6.851 1.00 0.27 C ATOM 3446 CG GLU B 74 8.078 -5.028 7.405 1.00 0.38 C ATOM 3447 CD GLU B 74 7.641 -4.514 8.758 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.790 -3.605 8.809 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.135 -5.035 9.779 1.00 1.21 O ATOM 0 H GLU B 74 4.971 -7.279 6.659 1.00 0.14 H new ATOM 0 HA GLU B 74 5.603 -4.521 6.833 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.819 -6.739 7.645 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.600 -6.636 6.079 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.067 -5.479 7.489 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.166 -4.193 6.710 1.00 0.38 H new ATOM 3456 N TYR B 75 5.857 -6.017 3.934 1.00 0.14 N ATOM 3457 CA TYR B 75 5.996 -5.804 2.506 1.00 0.14 C ATOM 3458 C TYR B 75 4.973 -4.793 2.035 1.00 0.11 C ATOM 3459 O TYR B 75 5.234 -3.986 1.149 1.00 0.13 O ATOM 3460 CB TYR B 75 5.807 -7.121 1.743 1.00 0.16 C ATOM 3461 CG TYR B 75 5.934 -6.962 0.247 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.828 -6.668 -0.542 1.00 1.21 C ATOM 3463 CD2 TYR B 75 7.167 -7.071 -0.368 1.00 1.19 C ATOM 3464 CE1 TYR B 75 4.952 -6.486 -1.907 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.301 -6.897 -1.735 1.00 1.20 C ATOM 3466 CZ TYR B 75 6.189 -6.602 -2.498 1.00 0.22 C ATOM 3467 OH TYR B 75 6.316 -6.421 -3.856 1.00 0.26 O ATOM 0 H TYR B 75 5.570 -6.961 4.191 1.00 0.14 H new ATOM 0 HA TYR B 75 6.999 -5.426 2.309 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.545 -7.844 2.090 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.825 -7.532 1.977 1.00 0.16 H new ATOM 0 HD1 TYR B 75 3.855 -6.580 -0.081 1.00 1.21 H new ATOM 0 HD2 TYR B 75 8.040 -7.295 0.227 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.083 -6.254 -2.505 1.00 1.22 H new ATOM 0 HE2 TYR B 75 8.270 -6.992 -2.202 1.00 1.20 H new ATOM 0 HH TYR B 75 5.486 -6.692 -4.301 1.00 0.26 H new ATOM 3477 N CYS B 76 3.807 -4.833 2.642 1.00 0.11 N ATOM 3478 CA CYS B 76 2.715 -4.008 2.200 1.00 0.12 C ATOM 3479 C CYS B 76 2.758 -2.627 2.842 1.00 0.12 C ATOM 3480 O CYS B 76 2.481 -1.631 2.178 1.00 0.13 O ATOM 3481 CB CYS B 76 1.394 -4.711 2.483 1.00 0.14 C ATOM 3482 SG CYS B 76 1.314 -6.394 1.831 1.00 0.22 S ATOM 0 H CYS B 76 3.595 -5.429 3.442 1.00 0.11 H new ATOM 0 HA CYS B 76 2.809 -3.857 1.125 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.231 -4.740 3.560 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.581 -4.125 2.053 1.00 0.14 H new ATOM 0 HG CYS B 76 2.148 -7.151 2.481 1.00 0.22 H new ATOM 3488 N VAL B 77 3.110 -2.556 4.120 1.00 0.13 N ATOM 3489 CA VAL B 77 3.321 -1.262 4.759 1.00 0.14 C ATOM 3490 C VAL B 77 4.461 -0.556 4.046 1.00 0.14 C ATOM 3491 O VAL B 77 4.434 0.649 3.872 1.00 0.19 O ATOM 3492 CB VAL B 77 3.637 -1.394 6.266 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.852 -2.262 6.447 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.853 -0.034 6.926 1.00 0.20 C ATOM 0 H VAL B 77 3.254 -3.364 4.726 1.00 0.13 H new ATOM 0 HA VAL B 77 2.400 -0.685 4.682 1.00 0.14 H new ATOM 0 HB VAL B 77 2.778 -1.854 6.754 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.077 -2.356 7.509 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.659 -3.250 6.028 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.702 -1.810 5.935 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.072 -0.174 7.984 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.689 0.475 6.446 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.952 0.570 6.819 1.00 0.20 H new ATOM 3504 N PHE B 78 5.440 -1.343 3.610 1.00 0.11 N ATOM 3505 CA PHE B 78 6.493 -0.872 2.724 1.00 0.11 C ATOM 3506 C PHE B 78 5.897 -0.065 1.587 1.00 0.11 C ATOM 3507 O PHE B 78 6.323 1.054 1.298 1.00 0.11 O ATOM 3508 CB PHE B 78 7.248 -2.080 2.163 1.00 0.12 C ATOM 3509 CG PHE B 78 8.050 -1.796 0.929 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.333 -1.311 1.033 1.00 1.17 C ATOM 3511 CD2 PHE B 78 7.516 -2.023 -0.332 1.00 1.18 C ATOM 3512 CE1 PHE B 78 10.081 -1.050 -0.097 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.254 -1.764 -1.466 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.542 -1.276 -1.349 1.00 0.15 C ATOM 0 H PHE B 78 5.523 -2.328 3.863 1.00 0.11 H new ATOM 0 HA PHE B 78 7.179 -0.234 3.281 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.916 -2.465 2.934 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.530 -2.869 1.940 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.759 -1.133 2.009 1.00 1.17 H new ATOM 0 HD2 PHE B 78 6.511 -2.407 -0.425 1.00 1.18 H new ATOM 0 HE1 PHE B 78 11.087 -0.669 -0.003 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.828 -1.941 -2.442 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.126 -1.072 -2.234 1.00 0.15 H new ATOM 3524 N LEU B 79 4.889 -0.649 0.968 1.00 0.14 N ATOM 3525 CA LEU B 79 4.223 -0.046 -0.160 1.00 0.16 C ATOM 3526 C LEU B 79 3.546 1.252 0.214 1.00 0.17 C ATOM 3527 O LEU B 79 3.713 2.273 -0.452 1.00 0.20 O ATOM 3528 CB LEU B 79 3.201 -1.014 -0.742 1.00 0.15 C ATOM 3529 CG LEU B 79 3.765 -2.032 -1.719 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.443 -3.442 -1.280 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.197 -1.767 -3.084 1.00 0.14 C ATOM 0 H LEU B 79 4.511 -1.557 1.237 1.00 0.14 H new ATOM 0 HA LEU B 79 4.983 0.179 -0.909 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.720 -1.547 0.078 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.425 -0.439 -1.247 1.00 0.15 H new ATOM 0 HG LEU B 79 4.850 -1.934 -1.747 1.00 0.15 H new ATOM 0 HD11 LEU B 79 3.858 -4.150 -1.997 1.00 0.19 H new ATOM 0 HD12 LEU B 79 3.876 -3.625 -0.297 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.362 -3.569 -1.229 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.597 -2.493 -3.792 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.111 -1.854 -3.049 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.471 -0.761 -3.403 1.00 0.14 H new ATOM 3543 N SER B 80 2.809 1.226 1.295 1.00 0.19 N ATOM 3544 CA SER B 80 2.031 2.371 1.687 1.00 0.21 C ATOM 3545 C SER B 80 2.930 3.440 2.271 1.00 0.20 C ATOM 3546 O SER B 80 2.606 4.619 2.253 1.00 0.24 O ATOM 3547 CB SER B 80 0.958 1.929 2.660 1.00 0.22 C ATOM 3548 OG SER B 80 1.440 0.917 3.526 1.00 0.18 O ATOM 0 H SER B 80 2.732 0.423 1.919 1.00 0.19 H new ATOM 0 HA SER B 80 1.541 2.810 0.818 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.620 2.783 3.247 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.093 1.559 2.109 1.00 0.22 H new ATOM 0 HG SER B 80 0.688 0.382 3.855 1.00 0.18 H new ATOM 3554 N CYS B 81 4.075 3.014 2.759 1.00 0.17 N ATOM 3555 CA CYS B 81 5.094 3.925 3.224 1.00 0.18 C ATOM 3556 C CYS B 81 5.830 4.556 2.061 1.00 0.33 C ATOM 3557 O CYS B 81 6.558 5.515 2.251 1.00 0.72 O ATOM 3558 CB CYS B 81 6.062 3.215 4.147 1.00 0.30 C ATOM 3559 SG CYS B 81 5.283 2.647 5.669 1.00 1.83 S ATOM 0 H CYS B 81 4.324 2.028 2.844 1.00 0.17 H new ATOM 0 HA CYS B 81 4.605 4.722 3.785 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.495 2.362 3.625 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.883 3.888 4.393 1.00 0.30 H new ATOM 0 HG CYS B 81 4.734 3.656 6.278 1.00 1.83 H new ATOM 3565 N ILE B 82 5.681 3.993 0.868 1.00 0.17 N ATOM 3566 CA ILE B 82 6.126 4.680 -0.331 1.00 0.19 C ATOM 3567 C ILE B 82 5.055 5.672 -0.759 1.00 0.21 C ATOM 3568 O ILE B 82 5.319 6.858 -0.901 1.00 0.28 O ATOM 3569 CB ILE B 82 6.439 3.732 -1.515 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.629 2.828 -1.180 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.719 4.548 -2.775 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.459 2.436 -2.389 1.00 0.41 C ATOM 0 H ILE B 82 5.262 3.077 0.709 1.00 0.17 H new ATOM 0 HA ILE B 82 7.060 5.181 -0.077 1.00 0.19 H new ATOM 0 HB ILE B 82 5.572 3.096 -1.696 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.270 3.338 -0.461 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.261 1.924 -0.695 1.00 0.24 H new ATOM 0 HG21 ILE B 82 6.938 3.874 -3.603 1.00 0.24 H new ATOM 0 HG22 ILE B 82 5.845 5.151 -3.020 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.574 5.202 -2.603 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.283 1.796 -2.073 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.833 1.897 -3.101 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.858 3.333 -2.863 1.00 0.41 H new ATOM 3584 N ALA B 83 3.840 5.179 -0.924 1.00 0.26 N ATOM 3585 CA ALA B 83 2.729 6.005 -1.377 1.00 0.32 C ATOM 3586 C ALA B 83 2.471 7.175 -0.436 1.00 0.32 C ATOM 3587 O ALA B 83 2.395 8.322 -0.863 1.00 0.35 O ATOM 3588 CB ALA B 83 1.482 5.163 -1.508 1.00 0.42 C ATOM 0 H ALA B 83 3.595 4.204 -0.750 1.00 0.26 H new ATOM 0 HA ALA B 83 2.997 6.417 -2.350 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.655 5.787 -1.847 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.655 4.366 -2.231 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.234 4.727 -0.540 1.00 0.42 H new ATOM 3594 N MET B 84 2.348 6.877 0.845 1.00 0.33 N ATOM 3595 CA MET B 84 2.102 7.895 1.860 1.00 0.36 C ATOM 3596 C MET B 84 3.331 8.752 2.077 1.00 0.36 C ATOM 3597 O MET B 84 3.250 9.844 2.630 1.00 0.48 O ATOM 3598 CB MET B 84 1.676 7.237 3.148 1.00 0.38 C ATOM 3599 CG MET B 84 1.382 8.191 4.284 1.00 0.44 C ATOM 3600 SD MET B 84 1.282 7.290 5.828 1.00 0.38 S ATOM 3601 CE MET B 84 2.515 6.056 5.444 1.00 0.22 C ATOM 0 H MET B 84 2.415 5.928 1.214 1.00 0.33 H new ATOM 0 HA MET B 84 1.301 8.548 1.514 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.786 6.638 2.956 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.460 6.549 3.464 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.163 8.949 4.345 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.444 8.714 4.097 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.916 5.642 6.369 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.061 5.258 4.857 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.322 6.514 4.871 1.00 0.22 H new ATOM 3611 N MET B 85 4.478 8.248 1.662 1.00 0.28 N ATOM 3612 CA MET B 85 5.678 9.051 1.653 1.00 0.29 C ATOM 3613 C MET B 85 5.658 9.973 0.442 1.00 0.34 C ATOM 3614 O MET B 85 6.303 11.012 0.420 1.00 0.48 O ATOM 3615 CB MET B 85 6.900 8.175 1.614 1.00 0.28 C ATOM 3616 CG MET B 85 8.161 8.951 1.890 1.00 0.32 C ATOM 3617 SD MET B 85 9.507 8.504 0.785 1.00 0.29 S ATOM 3618 CE MET B 85 9.638 6.785 1.226 1.00 0.25 C ATOM 0 H MET B 85 4.600 7.292 1.329 1.00 0.28 H new ATOM 0 HA MET B 85 5.714 9.647 2.565 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.797 7.377 2.349 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.974 7.700 0.636 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.955 10.017 1.793 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.470 8.779 2.921 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.687 6.491 1.235 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.209 6.630 2.216 1.00 0.25 H new ATOM 0 HE3 MET B 85 9.098 6.180 0.498 1.00 0.25 H new ATOM 3628 N CYS B 86 4.905 9.563 -0.566 1.00 0.31 N ATOM 3629 CA CYS B 86 4.722 10.345 -1.773 1.00 0.34 C ATOM 3630 C CYS B 86 3.676 11.425 -1.548 1.00 0.39 C ATOM 3631 O CYS B 86 3.606 12.394 -2.296 1.00 0.46 O ATOM 3632 CB CYS B 86 4.290 9.431 -2.921 1.00 0.39 C ATOM 3633 SG CYS B 86 4.034 10.271 -4.499 1.00 0.94 S ATOM 0 H CYS B 86 4.403 8.675 -0.568 1.00 0.31 H new ATOM 0 HA CYS B 86 5.667 10.823 -2.031 1.00 0.34 H new ATOM 0 HB2 CYS B 86 5.046 8.657 -3.055 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.365 8.928 -2.639 1.00 0.39 H new ATOM 0 HG CYS B 86 3.673 9.404 -5.398 1.00 0.94 H new ATOM 3639 N ASN B 87 2.869 11.241 -0.511 1.00 0.45 N ATOM 3640 CA ASN B 87 1.798 12.177 -0.177 1.00 0.58 C ATOM 3641 C ASN B 87 2.323 13.610 -0.136 1.00 0.68 C ATOM 3642 O ASN B 87 1.817 14.488 -0.827 1.00 0.89 O ATOM 3643 CB ASN B 87 1.179 11.806 1.172 1.00 0.72 C ATOM 3644 CG ASN B 87 -0.060 12.618 1.492 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.767 13.064 0.597 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.333 12.806 2.774 1.00 1.77 N ATOM 0 H ASN B 87 2.936 10.443 0.121 1.00 0.45 H new ATOM 0 HA ASN B 87 1.033 12.114 -0.951 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.923 10.746 1.170 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.918 11.954 1.959 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.158 13.339 3.047 1.00 1.77 H new ATOM 0 HD22 ASN B 87 0.282 12.417 3.489 1.00 1.77 H new ATOM 3653 N GLU B 88 3.353 13.827 0.669 1.00 0.70 N ATOM 3654 CA GLU B 88 4.001 15.131 0.787 1.00 0.89 C ATOM 3655 C GLU B 88 4.473 15.676 -0.566 1.00 0.86 C ATOM 3656 O GLU B 88 4.396 16.879 -0.819 1.00 1.06 O ATOM 3657 CB GLU B 88 5.187 15.042 1.755 1.00 1.03 C ATOM 3658 CG GLU B 88 5.879 13.684 1.766 1.00 1.51 C ATOM 3659 CD GLU B 88 5.341 12.750 2.839 1.00 1.72 C ATOM 3660 OE1 GLU B 88 4.104 12.616 2.953 1.00 2.33 O ATOM 3661 OE2 GLU B 88 6.151 12.147 3.580 1.00 1.98 O ATOM 0 H GLU B 88 3.765 13.105 1.260 1.00 0.70 H new ATOM 0 HA GLU B 88 3.256 15.826 1.175 1.00 0.89 H new ATOM 0 HB2 GLU B 88 5.916 15.808 1.491 1.00 1.03 H new ATOM 0 HB3 GLU B 88 4.838 15.268 2.762 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.759 13.214 0.790 1.00 1.51 H new ATOM 0 HG3 GLU B 88 6.948 13.829 1.921 1.00 1.51 H new ATOM 3668 N PHE B 89 4.947 14.791 -1.432 1.00 0.69 N ATOM 3669 CA PHE B 89 5.513 15.203 -2.711 1.00 0.71 C ATOM 3670 C PHE B 89 4.441 15.402 -3.780 1.00 0.73 C ATOM 3671 O PHE B 89 4.272 16.502 -4.309 1.00 0.88 O ATOM 3672 CB PHE B 89 6.522 14.160 -3.199 1.00 0.69 C ATOM 3673 CG PHE B 89 7.718 14.002 -2.302 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.819 14.831 -2.442 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.740 13.026 -1.324 1.00 1.53 C ATOM 3676 CE1 PHE B 89 9.920 14.687 -1.619 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.839 12.874 -0.499 1.00 1.89 C ATOM 3678 CZ PHE B 89 9.929 13.707 -0.647 1.00 1.81 C ATOM 0 H PHE B 89 4.951 13.783 -1.273 1.00 0.69 H new ATOM 0 HA PHE B 89 6.008 16.160 -2.548 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.019 13.197 -3.290 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.863 14.437 -4.197 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.817 15.598 -3.202 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.888 12.374 -1.203 1.00 1.53 H new ATOM 0 HE1 PHE B 89 10.772 15.340 -1.736 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.844 12.105 0.259 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.788 13.592 -0.003 1.00 1.81 H new ATOM 3688 N PHE B 90 3.710 14.337 -4.077 1.00 0.63 N ATOM 3689 CA PHE B 90 2.818 14.302 -5.228 1.00 0.66 C ATOM 3690 C PHE B 90 1.616 15.231 -5.067 1.00 0.69 C ATOM 3691 O PHE B 90 1.255 15.943 -6.008 1.00 0.83 O ATOM 3692 CB PHE B 90 2.363 12.863 -5.493 1.00 0.69 C ATOM 3693 CG PHE B 90 1.405 12.726 -6.644 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.881 12.515 -7.929 1.00 1.44 C ATOM 3695 CD2 PHE B 90 0.036 12.807 -6.445 1.00 1.79 C ATOM 3696 CE1 PHE B 90 1.008 12.387 -8.993 1.00 1.68 C ATOM 3697 CE2 PHE B 90 -0.841 12.678 -7.506 1.00 2.09 C ATOM 3698 CZ PHE B 90 -0.353 12.468 -8.779 1.00 1.67 C ATOM 0 H PHE B 90 3.718 13.476 -3.530 1.00 0.63 H new ATOM 0 HA PHE B 90 3.379 14.667 -6.088 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.240 12.246 -5.688 1.00 0.69 H new ATOM 0 HB3 PHE B 90 1.891 12.470 -4.592 1.00 0.69 H new ATOM 0 HD1 PHE B 90 2.945 12.450 -8.100 1.00 1.44 H new ATOM 0 HD2 PHE B 90 -0.350 12.973 -5.450 1.00 1.79 H new ATOM 0 HE1 PHE B 90 1.390 12.224 -9.990 1.00 1.68 H new ATOM 0 HE2 PHE B 90 -1.906 12.742 -7.338 1.00 2.09 H new ATOM 0 HZ PHE B 90 -1.037 12.367 -9.609 1.00 1.67 H new